#DEFINITION	Reference Metabolome for Illicium henryi
#IDENTTFIER	RefMeta-Illicium henryi.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Illicium henryi
#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 Illicium henryi was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35532	10.1
70.03149	9.6
70.11280	10.9
70.49288	9.9
70.68965	10.8
71.01405	14.8
71.11337	9.3
84.53029	11.4
89.02503	14.3
112.35684	12.6
132.14413	11.2
203.77895	10.6
277.21710	100.0
278.22180	86.1
279.22479	16.8
372.83728	13.6
397.13654	20.0
399.13885	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	995.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99268	1.6
71.01383	1.9
72.83807	1.5
81.03449	2.7
83.01411	4.2
87.06540	1.7
94.21673	1.8
96.95975	1.8
97.02943	2.6
121.02924	2.0
122.03752	6.9
125.02458	29.5
135.04541	3.1
136.05336	1.5
137.02434	19.2
141.74876	1.8
150.03279	2.2
151.04042	2.4
162.03151	2.4
163.04045	1.7
164.01172	9.1
165.01947	21.1
167.03500	3.3
173.01970	1.8
179.03526	7.8
201.05629	2.1
204.04289	7.2
273.14981	8.2
277.19189	1.9
277.21826	17.1
285.14819	1.8
287.16507	10.5
291.16003	2.3
297.14612	2.1
315.16125	12.7
343.15570	2.6
367.19287	2.2
385.20447	2.1
409.20230	6.5
527.62598	1.8
857.46844	7.0
951.50696	3.4
977.48737	3.3
995.50195	100.0
996.49976	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	995.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	12.7
72.99313	2.0
73.02944	1.1
74.98119	0.4
75.00898	0.5
78.01752	0.4
83.01395	1.3
85.02963	5.0
87.00894	4.1
89.02441	13.4
89.02928	0.8
95.01452	0.9
97.02962	2.4
99.00885	0.6
101.02435	12.0
113.02448	6.0
118.63927	0.6
119.03539	2.5
125.02460	5.6
143.03505	0.8
143.19725	0.5
161.04543	2.5
179.05621	2.2
221.06693	1.9
235.08237	4.1
253.09270	0.7
277.21750	100.0
278.22153	1.1
287.07727	0.6
305.08801	0.8
354.26419	0.6
379.12436	7.2
397.13562	27.0
415.14639	4.2
536.07861	0.5
657.35114	2.1
675.35815	3.4
907.46143	0.6
915.78900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40885	1.2
80.15637	1.2
80.28315	1.0
81.03473	1.5
82.58803	1.3
83.01389	3.0
95.05031	2.0
97.02983	1.9
109.02968	2.6
121.02969	1.8
122.03780	8.5
123.04516	1.6
124.01681	1.9
125.02449	30.4
135.04538	5.3
136.05287	2.1
137.02448	27.7
144.83302	1.2
146.03783	2.0
150.03290	2.2
162.03252	2.0
164.01137	7.4
165.01924	18.1
167.03503	2.3
175.04051	2.0
179.03508	6.3
201.05669	1.6
202.06271	1.7
204.04318	5.1
213.05676	1.6
215.07387	1.6
216.07797	1.3
227.07042	1.6
230.05873	1.5
244.07397	1.9
259.17215	2.2
273.14944	13.0
277.21823	5.8
285.15131	2.2
286.98782	1.5
287.16580	12.8
291.16141	4.8
315.16061	20.1
327.15924	2.5
333.17117	4.8
355.14703	1.4
361.16605	2.1
367.19159	7.7
369.17038	1.6
385.20331	6.7
409.20389	12.6
427.21451	1.9
437.19431	2.0
691.28998	1.6
827.46088	2.1
828.52484	1.5
842.52136	1.3
857.47540	5.4
939.31409	1.5
951.50269	2.1
995.50275	100.0
996.50256	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	995.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.2
71.01372	4.2
76.09296	2.6
77.78941	2.8
81.03462	6.1
83.01391	19.3
93.03429	3.8
95.05012	4.3
97.02929	4.6
97.63039	3.2
98.35808	3.2
99.04498	3.8
109.02959	4.0
112.73940	2.7
121.02941	11.6
125.02439	100.0
128.67621	3.1
137.02441	85.3
139.15613	3.0
146.03754	44.3
147.04550	3.4
151.03937	4.2
155.94638	3.1
159.04494	14.3
160.05307	4.9
164.01138	23.3
165.01920	70.4
166.24791	2.8
167.03479	27.8
172.01970	3.3
172.05280	6.1
173.06099	6.7
174.03214	19.9
174.06935	4.7
177.01935	13.2
179.03482	13.0
187.04025	5.0
188.04782	15.5
191.03580	3.4
199.07504	3.5
200.04773	4.8
201.05646	3.1
203.41585	2.9
204.04326	6.7
210.06772	4.1
212.04839	13.6
213.05598	3.2
225.05547	3.4
227.07021	3.4
242.08221	2.8
251.07129	4.1
252.07883	3.9
269.11935	6.8
270.09009	6.3
271.13394	44.5
277.21683	16.5
285.14996	14.0
289.14496	16.3
294.09088	13.3
299.12924	11.6
301.14377	5.0
313.14481	25.7
320.06766	3.9
325.14539	20.3
331.15619	6.6
335.16397	3.2
337.14337	7.2
343.15427	12.0
377.17755	6.4
379.15244	4.8
395.18579	4.4
413.19739	6.0
417.62860	3.5
419.18652	22.8
437.19864	14.4
463.17899	5.0
477.06268	3.3
567.24237	5.3
579.23950	3.3
673.28668	5.7
827.46301	19.0
839.46021	17.6
851.45740	5.4
857.46802	6.3
933.50970	22.7
959.48755	5.1
977.48938	93.6
978.49030	4.3
995.49976	76.2
1025.44189	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	995.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	2.4
71.01377	2.7
76.60232	1.5
81.03475	8.6
83.01388	14.5
89.02433	2.1
93.03484	8.1
95.01418	1.5
95.05042	3.4
97.02970	8.2
99.04541	3.6
100.86861	1.4
101.02467	3.6
107.05022	1.8
109.02934	13.2
113.02469	2.2
120.02148	1.8
121.02947	8.4
122.03725	3.3
123.00896	1.9
123.04574	3.8
124.01711	1.8
125.02446	94.1
132.78357	1.7
135.04543	7.0
137.02443	85.8
139.04004	3.5
139.24661	1.6
145.04977	2.1
146.03743	39.0
147.04602	2.5
149.02455	3.5
150.01064	1.6
150.03267	2.0
151.04027	7.5
159.04546	17.2
160.05312	8.5
161.02466	3.1
161.06099	3.2
163.04018	1.8
164.01216	22.3
165.01936	71.7
167.03487	27.0
172.05342	11.8
173.06073	10.8
174.03244	24.5
174.06856	3.1
175.04036	7.9
175.82655	1.8
176.04805	6.8
177.01906	12.0
179.03482	18.1
185.06091	7.5
186.06883	3.5
187.03990	10.6
188.04810	13.7
189.05519	3.7
191.03650	1.7
197.06026	2.1
200.04849	10.8
201.05565	7.0
204.04288	7.1
208.29199	1.9
209.06146	2.5
210.06923	3.3
211.04079	3.6
212.04749	11.4
214.06322	2.4
223.07695	1.8
224.04764	2.1
225.05527	8.8
226.06424	3.0
237.05583	3.1
251.07069	3.3
252.07956	9.9
253.12253	1.9
255.13942	9.3
268.07385	6.7
269.08411	1.5
269.11911	13.0
269.15411	2.2
270.09033	8.3
270.12280	2.2
271.13419	55.7
277.21790	45.2
283.13406	8.0
285.14984	10.0
289.14590	12.2
294.08942	9.3
295.13586	3.1
297.14972	3.8
299.12946	16.9
301.14590	3.1
309.14899	2.4
313.14505	35.4
315.16095	2.4
317.14069	4.0
318.42352	1.9
325.14523	24.1
335.16409	5.5
337.14578	17.8
343.15543	9.8
344.61014	2.0
349.17908	3.0
351.16080	3.0
353.17621	3.7
377.17645	10.4
379.15625	3.2
391.19202	3.4
393.17203	4.0
395.18756	12.0
401.17572	1.9
419.18790	24.7
437.19553	12.8
445.16718	3.8
463.17740	10.5
567.24426	3.2
673.28967	3.1
827.46100	30.1
839.46161	13.6
851.46136	8.3
857.47253	13.4
933.49927	18.7
951.49982	7.9
959.48572	3.1
977.49060	100.0
978.48907	7.7
994.95135	2.3
995.50153	71.1
996.51123	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	995.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01893	0.1
79.95734	6.4
79.96204	0.2
96.96005	100.0
98.95599	0.2
109.02942	0.5
121.54330	0.1
123.04512	0.2
125.02449	3.4
137.02477	0.7
149.02422	0.5
151.03979	0.5
161.06232	0.1
163.00418	0.1
163.04074	0.1
164.01073	0.1
167.03448	0.1
175.04008	0.7
177.00464	0.2
177.01944	4.0
179.63162	0.1
189.01996	0.1
194.95471	0.1
199.03979	0.2
217.05028	0.4
219.02974	0.5
236.65292	0.1
243.02992	2.0
245.08257	0.4
246.07727	0.1
247.06197	0.1
255.02977	0.6
256.03848	0.1
261.04071	0.7
264.38495	0.1
269.04486	0.1
285.03973	0.1
289.07175	0.7
303.05048	0.9
407.07840	0.8
413.08624	0.1
414.50818	0.1
414.82120	0.1
421.05338	0.1
423.06992	0.1
425.08966	0.2
429.08600	0.2
467.09833	0.2
525.08307	0.4
543.09375	0.6
561.10590	0.2
564.35016	0.1
565.56403	0.1
593.13129	0.2
607.11121	0.4
633.87634	0.1
711.13586	1.2
729.14667	0.6
771.14905	0.4
814.73309	0.2
897.18292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	3.5
69.42484	1.3
71.01400	3.4
81.03476	8.9
83.01380	18.0
83.05032	2.3
89.02466	1.5
92.10164	3.6
93.03468	8.1
95.01414	2.6
95.05017	5.9
97.02966	6.5
99.04532	3.9
101.02468	1.8
109.02966	9.0
121.02952	12.7
122.03796	3.2
123.04546	4.0
125.02448	93.0
135.04530	7.2
137.02454	87.2
139.04062	2.0
146.03754	41.8
147.04488	2.8
149.02440	3.1
151.04015	7.3
159.04543	16.4
160.05325	8.1
161.06123	2.3
163.00385	1.9
164.01155	24.3
165.01936	71.4
167.03528	32.0
172.05293	8.5
173.06067	6.6
174.03223	18.3
174.06842	3.1
175.04027	6.9
176.04779	2.1
177.01965	13.4
179.03546	15.7
181.07080	1.5
183.04558	1.7
186.06937	2.3
187.04010	8.8
188.04805	17.0
189.05508	2.0
197.06166	1.9
200.04816	10.2
201.05583	6.9
204.04344	9.5
206.18721	1.8
210.06847	2.3
212.04797	10.6
213.05713	2.0
225.05630	7.4
226.06337	4.1
237.05490	2.6
239.07011	1.9
250.06415	1.9
251.07146	9.3
252.07927	6.7
253.12346	2.3
255.13841	3.5
268.07327	3.1
269.07996	2.1
269.11856	9.3
270.09116	3.9
270.12289	1.7
271.13425	58.1
276.07983	2.2
277.21753	9.9
283.13388	9.3
285.15051	7.5
287.12961	2.6
289.14423	20.6
294.09076	8.2
295.13312	9.8
297.15085	3.1
299.12973	13.8
301.14484	7.4
309.14990	3.9
311.13098	1.9
313.14450	26.1
315.12662	1.8
315.16141	4.0
317.13959	8.8
325.14484	16.0
331.15637	9.8
335.16553	6.9
337.14557	15.8
343.15543	9.4
349.18500	2.0
351.15942	3.7
353.17731	3.2
355.15488	8.0
371.51324	1.6
377.17542	8.9
379.15488	2.8
384.01846	1.8
393.17294	6.3
395.18674	10.3
401.17648	3.3
419.18707	20.4
437.19815	13.5
463.17618	2.2
481.18903	1.9
552.08582	1.8
567.24603	2.3
591.24701	2.4
673.28583	10.7
674.27570	2.0
717.27576	2.3
827.46417	19.4
839.45532	15.5
851.46002	12.1
857.47223	10.5
898.81537	2.6
933.49591	18.2
951.50079	2.9
959.47626	7.5
977.49207	100.0
978.50079	6.7
995.29449	3.0
995.50171	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
73.47385	0.2
77.04969	0.2
78.51530	0.1
83.01398	0.4
101.02444	0.2
107.01400	2.0
108.02196	0.9
109.02951	0.9
121.02938	1.4
125.02502	0.2
135.00865	0.3
135.04544	0.3
135.58952	0.1
148.01665	1.2
151.00375	8.5
153.01927	0.2
159.04507	0.4
161.04457	0.2
163.00352	2.0
163.04015	0.2
164.01143	0.3
169.01402	0.4
174.03197	0.2
178.99855	5.0
180.07898	1.0
187.04062	0.2
190.99843	0.2
193.01434	0.2
193.08585	0.1
199.04015	0.6
201.01973	0.2
203.03566	0.3
211.04036	0.9
215.03426	0.3
216.04330	0.2
226.02742	1.7
227.03546	2.8
229.05023	0.2
243.02989	8.6
244.03468	0.3
245.04584	0.9
254.02237	2.5
255.03011	18.8
256.03473	0.7
257.04773	0.2
271.02512	48.8
272.02979	2.7
273.03711	0.7
283.02484	0.8
299.01962	1.0
300.02783	100.0
301.03543	30.4
301.07190	0.4
302.03729	0.9
328.13187	0.2
331.15582	0.8
343.04642	0.3
343.15546	0.4
361.16650	3.4
367.54041	0.2
395.32138	0.2
463.08911	75.2
464.09201	2.7
465.09610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	18.2
72.99306	1.3
85.02960	2.5
87.00899	0.2
89.02441	35.7
90.62611	0.2
91.05547	0.2
92.10104	0.9
101.02430	1.5
113.02433	3.2
119.03481	0.8
131.03510	5.2
134.17212	0.2
135.04482	0.2
139.87733	0.2
145.02959	2.7
149.04570	12.7
166.06387	0.2
180.07928	0.9
196.05356	0.3
207.08339	0.2
208.07259	0.2
209.06149	0.2
209.09714	0.3
222.06889	1.0
223.09856	1.2
224.04819	2.2
225.09233	0.4
227.10777	1.2
235.07501	0.3
238.06398	2.1
239.07254	0.3
239.10774	1.7
241.08784	1.5
251.07143	0.9
252.04370	0.8
252.07872	0.2
253.08685	0.9
254.09549	0.7
255.10323	8.7
256.10669	0.2
263.07013	0.3
264.07785	0.2
265.08710	1.0
266.05884	2.6
266.09213	0.6
267.10422	1.7
269.11899	3.1
270.05270	0.4
270.12665	2.8
280.07480	0.3
281.08139	0.8
281.11349	0.2
282.08911	0.8
283.09790	39.9
283.74231	0.2
284.10251	0.3
293.08224	0.3
294.09012	2.5
295.09784	6.3
296.10547	3.5
297.11313	2.3
298.04993	0.3
298.12097	5.0
309.11520	1.5
310.08521	1.2
310.12155	3.0
311.09317	100.0
312.09613	1.4
325.10876	9.5
326.11658	72.4
327.11945	1.0
330.11111	0.4
341.13989	85.9
342.14380	1.3
359.15039	0.3
398.62320	0.2
491.19275	0.9
776.62823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
79.39818	0.6
85.02955	0.9
96.46716	0.6
108.02192	54.5
109.02966	12.7
111.00880	3.0
117.03457	6.1
121.12714	0.7
131.01399	0.9
152.01172	35.7
153.01958	9.9
161.02512	1.0
173.02429	4.1
174.99025	0.8
175.00342	6.4
180.38846	0.7
265.64709	0.7
269.04626	0.9
271.02716	1.0
281.04584	1.0
283.06183	3.8
293.04620	100.0
294.04938	3.0
300.02774	3.6
311.05679	8.4
314.04276	0.8
323.05533	0.7
341.06790	0.8
346.21762	0.7
409.07825	40.3
413.08936	17.0
455.53012	0.7
457.11472	0.8
577.15771	48.1
578.16156	0.9
607.27942	0.8
609.14856	3.0
694.20160	0.8
747.84332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	1.6
74.94493	0.4
79.95345	0.4
79.95718	2.7
82.02986	3.2
83.01387	7.8
85.02968	0.6
87.14790	0.5
89.02449	1.8
92.10797	0.9
95.01395	0.7
96.96008	12.0
101.02414	0.8
104.78389	0.3
107.01398	24.2
108.99373	0.4
109.02950	1.8
113.02506	0.5
115.41821	0.4
119.03495	0.5
123.00854	0.6
123.04525	7.0
124.01681	1.6
125.02447	16.5
125.77542	0.4
133.02965	4.6
135.04515	3.6
136.04041	0.6
137.02397	0.8
149.02438	2.7
150.02005	0.5
150.03232	21.0
151.00385	100.0
151.04001	20.4
152.01172	12.8
153.01918	0.8
161.02534	0.4
164.03574	3.2
167.03441	0.5
168.65630	0.4
169.01445	3.8
171.04559	0.7
174.03203	0.6
175.04019	3.4
176.01199	2.0
177.01900	2.4
178.99876	12.9
183.04451	0.5
185.06049	0.7
189.05606	0.9
194.04652	0.9
196.06154	1.9
199.04024	4.5
213.05681	0.8
215.03514	0.5
217.05136	2.8
229.05054	0.9
241.05165	3.1
243.02826	0.6
257.04602	2.0
259.06177	0.7
275.05573	0.8
283.08261	2.5
285.04080	61.4
287.10379	8.0
302.04437	0.5
303.05157	9.1
309.06119	3.0
313.07611	0.5
314.07571	0.6
331.09250	3.7
363.12079	5.1
371.61301	0.4
394.10184	0.5
417.08417	0.6
435.09409	59.7
436.09659	0.5
439.05243	0.7
439.10785	12.3
457.75793	0.4
611.16687	5.3
611.25580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.8
71.01382	21.7
72.99320	1.8
73.02959	6.2
83.01406	2.4
83.47689	1.1
85.02950	7.1
87.00889	5.0
89.02438	25.3
90.37295	1.1
95.01405	1.1
97.02938	4.0
101.02446	17.9
103.16330	1.0
108.82340	1.1
113.02448	9.5
116.92915	1.5
119.03489	5.9
121.02964	1.2
125.02469	9.6
134.74120	1.1
143.03471	2.4
161.04555	4.5
167.03502	1.7
179.05653	2.2
197.74275	1.2
221.06563	1.4
235.08286	7.0
255.23325	100.0
264.75360	1.2
269.24704	1.4
273.29932	1.1
277.21768	84.3
287.07736	1.5
305.08774	1.7
379.12543	21.1
397.13580	47.7
415.14505	9.5
415.26096	1.1
635.36847	4.2
653.37494	4.9
657.35052	1.5
751.59625	1.4
772.08325	1.3
822.14398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.241
Annotation	Unknow
Peak:m/z	Relative Intensity
73.83614	0.1
83.01417	0.2
83.81870	0.1
90.12279	0.1
92.43951	0.1
107.01396	1.2
109.02966	0.7
121.46015	0.1
124.01642	1.5
125.02448	0.7
135.00902	0.2
136.01639	0.6
137.02441	1.9
145.31078	0.1
151.00380	5.9
152.01172	1.1
159.04518	0.2
163.00352	1.2
164.01143	1.8
165.01915	0.5
169.01453	0.5
177.01907	0.2
178.99863	6.8
185.02452	0.1
187.04074	0.3
188.04948	0.1
189.01987	0.2
191.05637	1.7
192.00578	0.3
192.06071	0.2
193.01405	0.2
203.03569	0.7
204.04268	0.6
207.03050	0.2
208.98756	0.1
214.02739	5.6
215.03526	0.3
216.04272	0.2
227.03569	0.8
231.02960	0.2
232.03798	0.3
242.02216	5.5
243.03035	2.8
244.03879	0.3
245.04532	0.2
251.49922	0.1
259.02478	4.6
260.03125	0.2
270.01724	7.0
270.33527	0.2
271.02509	36.2
272.02835	0.9
287.02008	19.8
288.02682	1.5
299.02090	1.0
300.02670	0.2
314.04324	0.3
315.01392	0.5
315.04947	0.3
316.02274	100.0
317.02997	12.6
318.03476	0.2
329.02771	0.3
621.95111	0.2
624.16138	0.2
625.14185	68.8
626.14453	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	973.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63899	0.9
69.37125	0.9
71.01379	11.8
71.59801	0.9
82.78703	1.1
83.01417	2.0
85.02979	1.7
89.02444	11.1
92.10809	2.4
93.03477	1.6
93.86420	1.0
99.04542	5.5
101.02451	5.6
107.01428	6.8
113.02468	5.9
117.03452	8.2
119.03493	2.3
121.02888	1.0
123.04516	1.2
125.02437	15.1
149.02380	2.1
150.03258	4.6
151.00397	26.4
151.04051	4.4
152.01128	7.0
161.02435	1.3
165.12871	5.4
169.01454	1.6
170.00340	1.0
177.01895	1.6
178.99843	8.3
185.24496	1.0
187.07564	1.5
191.05615	16.1
193.01443	2.3
199.03992	1.2
207.13936	10.9
209.11865	31.5
225.15041	10.1
251.12901	6.1
255.03038	1.5
269.04581	4.2
269.11075	1.9
269.13974	55.5
284.03314	2.2
285.04099	20.4
287.14951	5.9
303.05118	5.1
313.68314	1.0
435.09494	6.3
449.11172	15.1
449.20340	100.0
523.22791	1.1
593.15179	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	959.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30194	0.2
68.99831	0.3
69.03470	1.6
71.01380	28.4
72.99315	2.3
73.02939	5.5
73.03278	0.3
75.00890	0.3
81.03444	1.6
83.01388	4.3
83.05059	0.2
84.09585	0.2
85.02954	8.2
85.03453	0.3
87.00344	0.3
87.00867	6.2
87.01350	0.2
89.02441	36.2
91.04010	0.4
93.03439	0.2
95.01385	2.1
95.05032	0.3
97.02940	5.6
99.00894	2.3
99.04527	0.4
101.02441	28.2
103.04006	0.3
107.01318	0.2
109.02985	0.4
111.00873	0.3
111.04534	1.4
112.01733	0.2
113.02454	14.7
113.06084	0.3
114.72995	0.2
115.04024	0.3
119.03498	9.3
121.02937	0.5
123.00873	0.3
124.01712	0.3
125.02444	11.0
127.04041	0.4
131.03548	1.5
133.05074	1.4
137.02472	0.5
137.09726	17.7
139.04030	1.0
141.01926	1.0
141.05582	0.2
143.03520	4.6
149.02507	0.3
149.04604	1.0
161.04585	5.4
167.03546	0.8
169.05060	0.4
179.05623	4.9
184.16115	0.2
185.04636	0.4
199.06088	0.5
203.05803	0.3
205.16022	1.1
207.17578	4.1
217.07201	0.4
219.05354	0.2
221.06686	1.8
233.22678	0.4
235.08258	10.8
245.06667	0.3
251.16545	2.3
253.09253	2.1
259.20767	0.2
263.07709	1.0
275.20135	0.4
277.21753	81.4
278.22122	1.2
280.38678	0.2
283.19186	16.1
287.07764	3.4
305.08832	4.2
313.23715	0.2
323.09842	1.4
349.90671	0.2
379.12595	0.3
397.13562	100.0
398.13861	0.9
415.14645	35.3
675.36304	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	959.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87505	0.2
71.01395	0.4
77.95947	0.2
83.01385	7.0
85.02956	0.2
89.02459	1.0
92.10903	0.4
93.03425	0.2
95.01369	0.7
99.71813	0.2
107.01392	24.6
108.99329	0.4
109.02956	1.1
111.00889	0.4
113.02428	0.2
118.33317	0.2
121.02946	0.3
122.03737	0.2
123.00888	0.5
123.04526	7.7
124.01670	2.8
125.02441	19.0
133.02940	3.0
135.04524	2.4
137.02425	0.3
139.00388	0.3
139.04015	0.2
141.01927	0.3
147.04419	0.3
149.02458	2.5
150.03239	18.2
151.00380	100.0
151.03998	22.8
152.01164	14.5
153.01936	1.9
155.05055	0.2
160.45610	0.2
161.02420	0.3
163.00333	0.2
166.85133	0.2
169.01413	2.6
171.04541	0.3
174.03200	0.4
175.04018	4.1
176.01140	1.6
177.01939	3.4
178.99872	16.1
180.00555	0.5
181.01434	0.8
185.05992	0.4
187.04086	0.3
189.05554	0.8
193.05138	0.9
195.04626	0.2
197.06064	0.4
198.03247	0.3
199.04016	3.4
201.01982	0.8
201.05585	0.2
211.04080	0.8
213.05594	1.0
215.03458	0.8
216.04245	0.3
217.05118	2.8
223.06213	0.2
229.05003	0.4
240.04370	0.3
241.05087	3.1
243.02893	1.0
257.04626	1.7
259.06235	0.9
267.03018	0.8
272.02701	0.2
275.05643	1.3
283.08328	1.7
285.04074	53.6
286.04410	0.8
300.02872	0.5
301.03238	0.5
302.04236	1.6
303.05133	16.0
304.05444	0.2
309.06210	2.8
320.28970	0.2
417.08344	0.8
433.07867	0.8
434.07684	0.4
435.09378	50.7
436.09720	1.2
527.18610	0.2
730.46362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.2
67.70751	0.2
71.01398	0.4
73.02961	0.3
83.01385	3.7
85.02952	4.9
87.00871	1.5
93.03436	2.5
101.02404	0.3
105.03515	0.2
107.01390	13.5
108.99342	0.3
109.02971	1.2
111.04524	0.4
114.80178	0.2
118.33624	0.2
119.05018	0.9
121.68678	0.2
123.04514	5.9
124.01647	0.3
125.02441	5.5
127.04006	1.3
133.02934	2.2
135.04538	3.2
137.02481	0.2
143.03442	0.2
145.02957	1.0
147.04523	0.4
149.02492	1.5
150.03226	2.5
151.00374	48.9
151.03996	13.4
151.05234	0.4
152.01163	3.1
152.04335	0.2
153.01862	0.2
163.04025	1.0
169.01453	1.5
171.03104	0.3
171.04443	0.4
173.04562	1.3
175.04024	2.1
176.01157	0.4
177.01932	1.2
178.99844	4.2
185.06146	0.2
189.05632	0.3
191.05620	100.0
192.06006	0.9
193.05089	0.2
198.03329	0.3
199.04034	2.7
213.05545	0.8
215.03545	0.5
217.05121	1.4
229.04985	0.5
239.03447	0.3
241.05106	2.4
243.02934	0.2
257.04605	2.7
267.03113	0.5
285.04065	38.9
286.04626	0.3
303.05112	0.9
337.09348	21.8
375.20038	0.2
459.14975	0.8
485.12930	0.9
559.92651	0.2
611.16241	39.1
612.16949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70001	0.2
71.01397	1.2
83.01391	6.9
85.02974	0.2
87.00900	0.2
89.02464	1.4
93.03448	0.3
95.01389	0.5
96.87334	0.2
96.96023	0.3
101.02454	0.4
105.03497	0.3
107.01398	25.0
108.99350	0.7
109.02942	1.6
111.00915	0.2
113.02473	0.2
119.03518	0.3
121.02971	0.4
122.03730	0.2
123.00928	0.5
123.04525	6.8
124.01645	2.2
125.02450	20.0
126.99612	0.2
133.02942	3.8
134.57309	0.2
135.04550	2.5
137.02452	0.8
139.00397	0.3
139.03992	0.3
141.01949	0.4
143.05069	0.2
145.03029	0.2
147.04536	0.4
149.02449	2.5
150.03242	17.7
151.00392	100.0
151.04005	22.7
152.01172	13.6
153.01974	2.0
159.04504	0.3
161.06068	0.2
169.01453	3.3
171.04555	0.4
173.06058	0.7
174.03224	0.4
175.03998	4.1
176.01123	1.5
177.01958	4.1
178.99879	16.5
179.10709	0.2
180.00621	0.3
181.01437	0.2
185.06129	0.8
187.04018	0.3
188.04851	0.7
189.05592	1.3
193.05087	0.4
196.05154	0.2
197.06108	0.4
198.03281	0.8
199.04054	4.1
201.01936	0.8
208.03828	0.4
211.04060	0.3
212.04649	0.2
213.05605	1.4
215.03555	0.8
216.04372	0.3
217.05121	2.9
223.06099	0.3
223.09750	0.8
227.03548	0.3
229.04939	1.4
231.06744	0.2
239.03410	0.4
240.04352	0.4
241.05138	3.3
242.02248	0.2
243.03041	0.9
257.04614	1.8
259.06107	1.1
267.03174	0.8
271.06183	3.0
275.05640	1.3
283.08340	2.4
284.03387	0.3
285.04089	53.0
286.04462	0.4
300.02878	0.3
302.04367	1.2
303.05151	16.7
309.06198	3.2
403.16220	0.4
417.08362	0.7
435.09409	55.2
436.09430	0.7
456.11716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	20.5
72.99326	1.7
73.02969	2.9
77.42501	1.2
81.03445	1.9
83.05042	1.9
85.02962	5.7
87.00893	2.6
89.02447	20.7
95.01434	1.3
97.02943	11.7
99.00906	2.0
101.02457	14.4
109.06593	30.0
113.02462	7.3
119.03490	5.6
125.02451	5.2
135.08141	5.1
142.02728	3.1
161.04579	1.8
161.09747	1.7
163.11298	22.2
179.05545	1.7
181.12335	6.3
189.09140	2.2
195.04192	1.6
207.10294	100.0
209.11861	3.1
221.06772	2.0
225.11363	58.2
235.08228	2.6
277.21747	49.5
379.12433	5.5
397.13568	28.3
415.14612	10.4
499.98221	1.4
507.26556	1.3
605.24780	8.0
623.25397	9.5
627.31488	1.4
865.45898	1.6
883.47107	72.4
884.47345	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	945.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.7
74.32123	1.4
79.81123	1.4
81.03461	7.6
83.01389	18.3
83.05046	3.1
89.02470	4.0
93.03457	3.1
95.05042	3.3
95.06475	1.7
97.02953	6.8
99.04544	4.0
101.02433	2.8
107.05081	2.0
109.02959	8.1
111.78827	1.5
121.02960	11.7
122.03723	2.6
123.04571	2.0
124.01672	2.8
125.02444	100.0
131.05025	2.0
132.00764	1.5
133.02962	2.2
135.04527	9.8
137.02444	91.1
137.03500	3.1
137.06125	1.6
139.04018	3.1
146.03760	36.7
147.04565	2.8
147.11967	1.7
149.01320	1.8
149.02408	2.8
151.04025	3.8
154.69310	1.4
159.04530	16.2
159.88130	1.6
160.05331	7.0
161.02420	2.1
161.06131	3.4
161.42751	1.5
162.03307	1.9
163.11208	3.3
164.01154	24.2
165.01952	63.4
165.03377	2.0
167.03510	23.7
168.79321	1.5
172.05342	12.6
173.05988	6.8
174.03235	15.4
174.06882	3.8
175.03996	7.1
176.04692	3.5
177.01941	12.5
179.03508	13.2
185.06096	1.9
186.06805	2.1
187.04002	9.1
188.04799	20.2
189.05655	1.9
191.03516	2.5
197.05948	1.8
198.06879	2.0
200.04836	8.9
201.05571	6.7
202.06361	2.5
204.04376	3.9
209.10007	1.8
209.11842	44.2
210.06882	3.3
211.04005	3.0
212.04828	13.1
213.05635	2.6
224.04730	1.9
225.05594	9.6
226.06340	8.7
227.65500	1.7
237.05643	2.4
244.07333	2.3
251.07086	2.1
252.07994	2.9
255.13956	6.1
265.08716	3.0
268.07541	2.9
269.11880	8.9
270.08951	3.7
271.13409	56.9
283.13309	9.5
285.04190	2.5
285.14954	8.8
287.12973	3.7
289.14377	16.3
294.08963	9.4
295.13449	6.3
297.15067	6.8
299.12918	11.2
301.14386	7.5
309.15063	3.1
313.14459	26.8
315.16006	7.8
317.13925	9.2
325.14532	21.4
331.15384	2.2
335.16376	5.6
337.14563	14.3
337.76324	2.0
343.15399	11.4
351.16061	2.0
353.17596	2.9
355.15695	3.0
369.16949	2.5
377.17569	7.9
379.15677	2.9
391.15146	1.9
393.16840	3.8
395.18625	10.0
413.19803	1.8
419.18823	22.1
437.19809	14.8
463.17606	3.9
567.24634	6.8
673.28290	8.2
717.28491	3.5
770.13660	1.8
777.37238	17.2
789.36475	14.3
801.37329	2.9
807.38251	6.6
853.73895	2.2
883.41223	12.1
901.40668	1.9
909.39569	9.7
927.40417	80.2
928.40625	2.7
945.41449	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	20.5
72.99326	1.7
73.02969	2.9
77.42501	1.2
81.03445	1.9
83.05042	1.9
85.02962	5.7
87.00893	2.6
89.02447	20.7
95.01434	1.3
97.02943	11.7
99.00906	2.0
101.02457	14.4
109.06593	30.0
113.02462	7.3
119.03490	5.6
125.02451	5.2
135.08141	5.1
142.02728	3.1
161.04579	1.8
161.09747	1.7
163.11298	22.2
179.05545	1.7
181.12335	6.3
189.09140	2.2
195.04192	1.6
207.10294	100.0
209.11861	3.1
221.06772	2.0
225.11363	58.2
235.08228	2.6
277.21747	49.5
379.12433	5.5
397.13568	28.3
415.14612	10.4
499.98221	1.4
507.26556	1.3
605.24780	8.0
623.25397	9.5
627.31488	1.4
865.45898	1.6
883.47107	72.4
884.47345	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	939.404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	4.8
73.03008	0.7
80.49893	0.9
85.02941	1.5
89.02464	5.6
93.03472	1.7
95.01412	1.6
101.02441	4.1
104.10884	0.8
105.03397	1.0
113.02481	3.1
117.50650	0.8
119.03516	1.5
121.02957	9.4
122.03722	10.6
123.04585	1.0
133.03003	1.6
135.04660	0.8
136.43762	0.8
137.02448	0.9
148.01794	0.8
149.02458	65.4
150.03232	68.3
161.09729	1.2
163.04077	1.1
164.04826	15.8
165.05582	80.6
179.05656	3.1
179.07159	3.0
180.04356	6.2
180.10913	0.9
191.05690	1.0
195.06667	25.1
221.08116	1.3
237.11365	4.0
241.08673	1.1
267.07156	0.9
267.10254	1.8
269.08273	7.2
269.11832	3.9
283.09921	2.0
297.11359	14.4
298.12149	1.4
299.09390	1.8
311.09247	5.1
311.13013	3.5
313.11099	1.2
314.11615	9.8
315.12448	1.9
325.10815	1.0
326.11682	6.9
327.12427	1.6
329.13968	21.1
330.14493	1.2
341.13998	8.7
417.17953	6.0
431.14911	4.9
433.16483	5.3
461.15994	1.5
462.16864	9.8
463.17926	1.1
474.16714	1.2
477.19308	24.4
492.17859	5.2
507.20334	100.0
508.20544	1.8
537.21704	1.3
555.22461	47.3
806.86743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	70.1
71.93073	0.5
72.99302	4.4
73.02958	2.5
74.64644	0.6
75.80498	0.5
79.05534	0.7
81.03472	0.6
83.01385	4.1
83.05010	0.7
85.02950	16.3
87.00887	3.1
87.04496	9.7
89.02441	100.0
93.03432	0.6
95.01394	6.1
99.00863	0.7
99.04514	22.3
101.02442	43.0
105.07080	0.8
107.05000	0.7
107.77304	0.5
113.02458	35.3
113.03251	1.2
113.06091	23.3
119.03498	43.1
119.08615	0.5
124.05324	0.7
131.03502	4.3
133.10226	2.1
143.03491	7.4
143.08669	1.3
145.06653	0.7
146.04860	0.6
146.07382	2.7
149.04576	3.0
159.08182	2.5
161.04575	7.3
161.09731	49.0
178.65442	0.6
179.05617	38.8
182.31052	0.5
193.12349	8.2
205.08673	4.8
223.09760	0.8
233.01871	0.5
237.11346	93.7
238.11638	0.7
268.28613	0.5
328.13165	1.3
343.15573	9.5
417.17697	64.3
531.12463	0.6
556.39264	0.6
772.14368	0.9
929.15668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.6
73.17980	0.5
79.29556	0.4
81.03454	2.1
83.01370	5.2
85.02957	2.5
87.00877	0.7
90.10422	0.4
93.03444	4.5
95.01366	0.5
95.05014	3.1
96.51411	0.4
97.02928	3.9
107.05024	2.0
108.02169	0.6
109.02937	19.6
117.03474	0.7
121.02925	4.2
122.03753	1.0
123.04498	14.5
125.02422	100.0
126.02712	0.6
127.03961	0.7
129.21234	0.5
131.05000	0.7
133.02936	5.1
135.04514	6.0
137.02425	26.7
139.03986	3.0
145.02928	0.8
147.04553	0.7
149.02411	6.4
150.03259	0.8
151.03999	17.8
155.46111	0.6
159.04482	4.2
160.05310	1.0
161.02423	31.2
161.06058	5.7
162.03159	2.7
163.00354	2.3
163.04012	4.5
164.01126	4.7
165.01910	6.3
167.03448	2.3
167.04803	0.6
173.04517	5.0
173.05962	1.0
174.03233	0.8
175.03978	11.8
175.07649	1.0
177.01912	8.6
177.05562	0.9
178.02690	0.5
179.03456	10.9
185.06082	0.7
187.03978	9.0
188.04755	4.5
189.05655	0.7
191.05592	37.9
193.04915	0.7
199.03993	1.2
201.05498	2.5
202.06436	0.7
203.03526	1.0
203.07129	12.1
205.01334	3.4
205.05063	9.1
212.04784	0.5
213.05522	1.2
215.03473	1.1
217.05222	0.9
219.02991	0.6
221.08202	3.1
225.05554	0.9
227.03462	2.3
227.07117	1.1
228.04256	1.9
229.04970	5.0
231.03012	0.7
231.06540	0.8
241.04979	0.5
243.03047	3.6
243.06483	0.7
245.04512	5.0
245.08160	20.1
247.06044	2.5
255.03014	11.2
256.03687	5.9
257.04529	2.4
259.05914	0.7
269.04581	3.4
273.04053	4.6
281.04480	5.6
282.01508	0.6
283.02356	2.4
285.04068	4.0
287.05606	9.5
289.07166	51.0
290.07480	0.7
297.04135	0.7
297.07492	0.8
299.05579	5.7
329.06580	1.1
331.08188	0.6
339.08600	5.7
340.08591	0.5
353.08777	3.7
373.73767	0.5
381.09851	1.9
407.07700	50.1
408.08044	0.9
425.08795	43.9
426.09033	0.8
451.10327	14.4
540.10278	0.5
559.12329	2.2
577.13519	36.5
578.13873	0.8
664.20349	0.6
765.25452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	68.7
72.99324	5.4
73.02962	1.6
81.07124	2.1
83.01411	4.3
85.02949	15.0
85.03379	0.9
87.00891	1.4
89.02451	86.3
95.01379	4.2
96.92514	0.8
99.04523	15.7
101.02441	37.4
113.02453	28.8
113.03239	1.2
119.03507	33.0
125.02403	1.0
131.03525	1.0
135.11786	1.2
143.03537	6.3
149.04616	1.4
149.06047	1.4
150.06857	1.8
161.04552	4.4
161.13354	36.3
179.05609	25.8
179.10808	1.1
187.11275	4.9
192.76019	0.8
202.41197	0.9
204.40366	0.8
205.12358	70.7
223.09749	1.3
249.11348	100.0
250.11575	1.4
385.18756	5.2
391.15918	0.9
429.17587	89.2
430.18161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99448	5.0
71.01398	26.1
85.37112	5.2
89.02473	27.4
97.03001	6.4
101.02454	10.7
109.06578	11.5
116.92867	10.5
119.03563	7.4
125.02490	6.7
163.11276	26.3
207.10316	100.0
225.11317	39.3
243.16484	5.7
255.23351	80.2
315.17023	6.9
397.13568	35.0
489.69125	6.6
668.67493	6.9
861.48553	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32566	0.2
67.01893	0.3
69.03485	0.3
71.01383	0.5
81.03483	1.1
83.01391	2.5
83.61584	0.3
85.02959	6.6
87.00883	1.6
93.03462	4.0
95.01376	0.4
95.05034	1.4
97.02964	1.9
99.04525	0.5
107.01398	0.2
107.05064	0.4
109.02965	10.4
111.04539	1.4
117.03463	0.5
119.05008	1.1
121.02970	1.9
122.03721	0.4
123.04519	7.5
124.13138	0.2
125.02443	62.3
127.04012	1.9
133.02969	1.9
135.04547	1.4
137.02451	17.7
139.04031	1.9
145.02965	1.5
146.03763	0.4
147.04483	0.3
149.02434	3.0
149.06093	0.4
150.03322	0.5
151.00351	0.3
151.04015	8.5
159.04535	1.5
160.05316	0.4
161.02455	16.4
161.06123	2.5
162.03226	1.3
163.00311	1.0
163.04008	3.2
164.01180	3.2
165.01947	3.6
165.05560	0.3
166.02692	0.3
167.03490	1.1
171.03021	0.3
173.04518	1.5
173.05936	0.5
174.03258	0.3
175.04001	6.1
175.07617	0.5
177.01915	4.0
179.03531	3.1
179.07106	0.5
185.06131	0.5
187.03998	4.7
188.04811	1.7
191.05629	100.0
192.05901	0.4
193.05150	0.3
199.04066	0.4
201.05542	0.5
202.06461	0.6
203.03506	0.6
203.07173	6.7
205.01431	1.5
205.05098	4.7
211.03970	0.4
213.05678	0.4
215.03554	0.5
217.05092	0.5
219.06682	0.3
221.08212	1.6
227.03564	0.6
227.07167	0.9
228.04301	0.4
229.05034	2.6
230.05829	0.3
231.02994	0.4
242.98518	0.3
243.03059	1.1
243.06750	0.4
244.03700	0.3
245.04703	2.4
245.08223	10.2
247.06207	0.3
253.05119	0.5
255.02985	3.5
256.03769	1.9
257.04648	0.5
269.04654	1.2
271.06281	0.6
273.04041	3.6
281.04611	2.1
283.02625	0.4
285.04028	1.6
287.05640	6.4
288.02826	0.4
289.07217	32.7
297.03967	0.4
299.05576	2.6
337.09351	9.9
339.08862	2.4
374.71228	0.3
381.09775	0.6
407.07751	19.4
425.08862	23.2
426.08820	0.4
451.10413	5.5
461.42160	0.3
577.13544	16.8
637.76367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84521	0.5
71.01381	23.1
72.99311	2.1
73.02943	0.7
83.01382	0.8
85.02963	5.3
89.02443	27.3
95.01396	1.0
101.02432	16.7
109.02926	0.9
111.04499	1.3
113.02455	10.0
119.03504	9.4
121.06594	1.1
123.08176	4.2
125.02437	3.1
147.08118	0.6
161.02335	0.9
167.03719	0.5
171.11780	3.8
177.01897	1.0
189.12859	12.4
208.83098	0.5
208.85811	0.5
215.10805	1.0
233.11760	3.0
243.03009	1.0
253.85643	0.6
277.10867	4.4
457.17239	100.0
458.17801	2.1
761.73279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	0.3
68.09539	0.2
73.02966	0.3
74.09557	0.2
83.01399	0.6
89.03959	0.2
107.01420	1.3
109.02969	0.5
121.02940	1.0
125.02444	0.3
125.96381	0.2
148.01651	0.9
149.02483	0.4
151.00385	8.0
153.01938	0.4
163.00351	2.5
163.04193	0.3
169.01425	0.4
174.03261	0.3
178.99878	4.5
180.07970	0.3
188.04787	0.2
190.02736	0.5
190.99908	0.3
191.05605	0.4
193.01459	0.2
198.03171	0.3
199.04041	0.5
216.04259	1.1
226.02765	5.4
227.03555	2.9
228.04390	0.3
243.03009	13.3
244.03569	0.3
245.04791	0.3
254.02235	6.7
255.03026	12.6
271.02515	70.4
272.03110	3.3
283.02499	0.5
299.01743	0.3
300.02786	100.0
301.03549	25.0
302.03964	0.3
343.04730	0.5
356.02924	0.2
361.16684	1.1
463.08899	91.6
464.09039	1.7
488.76743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	14.7
65.00638	0.7
71.01382	2.0
71.97882	0.4
83.01385	10.3
85.02989	0.8
89.02456	1.1
93.03412	0.6
95.01376	0.7
96.96014	2.7
101.02465	1.9
107.01400	30.3
109.02923	0.5
113.02465	0.8
117.03474	2.4
119.05045	0.8
121.02996	0.9
123.00958	1.6
123.04530	6.1
124.01646	4.9
125.02449	19.2
133.02971	2.8
134.03763	2.0
135.04539	5.8
139.00386	1.0
141.01945	0.7
142.28546	0.5
149.02422	2.7
150.03242	4.4
151.00381	100.0
151.03996	18.0
152.01170	39.5
152.03055	0.7
153.01907	1.1
161.02412	0.5
169.01448	8.8
173.06049	0.5
175.03999	0.9
176.01224	0.7
177.01978	0.7
177.05615	1.2
178.99872	37.4
180.00539	0.7
185.06078	0.5
189.05605	0.6
191.05565	3.3
193.01370	0.5
195.30583	0.5
197.06079	0.9
199.04005	2.5
201.05675	0.9
215.03529	0.6
217.05019	0.7
225.05588	4.1
241.05104	2.6
243.06622	0.7
257.04727	0.7
259.06100	6.4
269.04578	75.6
270.05093	0.8
285.04062	39.7
286.04599	1.2
287.05603	1.0
293.04623	6.4
294.04922	2.2
303.05215	0.9
337.09311	0.7
339.07294	1.1
413.08731	0.8
447.09827	0.8
449.10962	80.2
450.11758	0.8
465.10422	38.5
466.11072	0.7
577.15973	2.8
578.16461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	11.1
73.02946	0.4
83.01400	0.8
85.02960	2.2
87.00877	0.5
89.02431	13.0
92.66762	0.4
95.01393	0.6
99.04517	5.0
101.02424	7.0
106.58295	0.4
107.01378	2.0
107.41542	0.3
113.02447	4.1
117.47253	0.4
119.03500	3.7
121.02940	0.9
139.41026	0.3
151.00377	6.8
163.00459	0.6
164.01199	0.4
165.12837	3.7
169.01459	0.5
178.99872	3.0
189.12849	1.7
201.05705	0.4
207.13934	9.8
209.11853	27.4
212.90884	0.4
225.14984	8.7
227.03539	1.5
227.05646	0.4
227.12842	1.3
243.02992	5.5
243.12379	1.4
245.04626	0.6
251.12874	5.8
254.02261	1.5
255.03011	13.8
269.13971	46.7
271.02505	30.4
272.03088	0.4
273.04007	0.4
274.24878	0.4
283.02219	0.6
287.15051	3.0
300.02780	51.6
301.03580	18.5
329.13931	0.6
358.12885	0.4
449.20355	100.0
450.20715	2.5
463.08932	25.3
766.74609	0.4
921.15356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82192	0.8
71.01367	1.3
83.01386	1.5
88.80869	1.0
93.03463	1.1
95.15375	0.8
97.10854	0.9
107.01421	1.0
109.02943	4.0
113.86912	1.1
121.02969	1.8
125.02444	25.4
137.02451	3.2
148.01718	7.3
149.02467	4.1
151.00352	6.8
163.00453	1.1
163.04008	1.6
175.00366	1.2
175.03899	1.1
176.01100	1.6
177.01935	38.5
178.99818	4.5
183.04497	1.3
191.03497	1.9
199.04028	13.5
211.04031	1.4
225.01897	4.1
227.03546	1.8
243.02995	100.0
255.02980	17.2
261.03940	1.4
269.00977	10.1
271.02518	22.2
282.01691	1.6
283.02475	15.5
284.03149	1.1
300.02777	44.0
301.03561	17.2
304.90988	1.3
311.02103	1.2
392.05273	2.2
527.28009	1.1
577.87531	1.0
609.14856	20.3
727.15454	1.6
745.16278	44.8
746.17139	1.2
827.15912	1.2
913.19830	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	911.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02386	0.1
71.01376	0.2
75.53725	0.1
76.58192	0.1
81.03463	0.7
85.02962	0.3
89.02447	0.2
93.03458	0.6
95.01386	0.2
107.05038	0.3
108.02178	100.0
109.02962	16.8
109.03546	0.3
119.03457	0.1
119.05059	0.1
121.02946	5.3
122.03686	0.1
123.00839	0.3
123.04504	1.3
133.02989	1.0
134.03673	0.1
135.00894	0.3
135.04526	0.8
136.01514	0.1
151.04021	2.2
152.01161	61.3
153.01947	18.0
163.04034	1.6
165.01915	0.6
165.52654	0.1
185.06068	0.5
195.03017	0.2
213.05495	0.1
257.08133	0.1
297.06140	0.1
419.09897	72.4
420.10394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32540	1.5
83.01380	2.3
96.96006	11.9
109.02949	16.2
111.04498	2.1
114.67210	1.9
121.02960	4.3
123.00905	2.7
125.02425	100.0
133.02921	2.4
135.04507	2.6
137.02461	21.9
139.04019	3.8
149.02415	11.8
151.04021	13.1
159.04552	2.2
161.02399	2.2
163.00433	3.3
163.03941	3.2
164.01137	2.9
165.01933	15.3
166.02594	1.9
167.03481	11.2
173.06061	2.4
175.03978	25.7
177.01924	97.0
179.03510	4.3
187.03972	2.8
189.01939	3.1
191.03621	3.5
198.84961	2.0
199.03993	9.8
203.03563	2.7
217.01456	2.4
217.05074	8.7
219.03052	8.2
219.06541	4.4
226.48427	1.9
229.01302	2.0
231.02966	2.3
243.02985	34.6
245.04567	2.2
255.03026	11.7
256.03723	2.6
257.04517	3.1
261.04025	11.6
261.07709	2.3
269.04416	3.1
283.02515	9.5
285.04089	4.5
293.04303	2.0
303.05038	15.1
305.06708	19.6
398.82574	2.0
405.44595	2.2
423.07281	18.4
441.08194	7.4
446.50296	2.4
483.09848	3.3
541.08173	3.9
559.08948	8.2
609.12433	7.2
727.13391	8.1
933.73407	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	907.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	0.5
65.00329	9.2
65.00681	0.4
66.86480	0.3
71.01366	0.4
71.22952	0.2
78.29346	0.3
79.95723	2.7
80.67423	0.2
81.95324	0.5
83.01389	5.5
88.26419	0.3
88.52898	0.2
89.02450	0.5
95.01408	0.3
96.96008	7.9
96.96594	0.4
98.95597	1.2
107.01394	19.4
109.02965	0.5
110.34419	0.3
121.02849	0.3
123.00975	0.3
123.04523	4.9
124.01663	1.6
125.02439	18.1
133.02916	2.4
135.04547	2.2
139.00403	0.5
141.02010	0.3
149.02454	2.4
150.03235	16.4
151.00380	100.0
151.04001	23.7
152.01175	12.6
152.04333	0.3
153.01944	1.2
159.04602	0.3
169.01431	2.3
175.03999	3.1
176.01152	1.7
177.01921	3.9
178.99866	15.5
181.01447	0.3
185.06024	0.4
188.04675	0.3
189.05652	0.5
198.03220	0.4
199.04019	3.2
201.01923	0.4
213.05511	0.7
215.03580	0.4
217.05017	1.9
241.05135	1.7
243.03015	0.3
246.41753	0.3
246.70052	0.3
257.04605	1.5
259.06079	1.4
267.02960	0.4
275.05685	1.3
283.08313	2.7
285.04068	52.1
286.04449	1.1
302.04535	0.7
303.05133	10.8
303.08438	0.6
309.06113	2.4
435.09390	82.8
436.09735	2.3
469.11722	2.4
470.12195	3.3
471.11966	3.0
555.04559	0.3
595.10077	0.3
740.91370	0.3
759.17310	0.3
880.80396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.377
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11419	0.4
71.01379	28.9
71.69967	0.4
72.99302	2.6
73.02945	0.9
83.01389	0.7
84.59541	0.4
84.80837	0.4
85.02944	6.9
87.00861	0.9
87.04520	3.5
89.02439	36.5
91.22971	0.4
95.01389	2.2
99.04514	7.2
101.02441	14.5
103.89279	0.4
113.02441	13.3
113.06089	4.8
117.03485	3.7
119.03500	11.8
119.05003	2.7
120.56570	0.4
121.02971	2.1
122.03732	11.0
124.01642	0.8
131.03577	1.0
135.04517	8.3
135.08150	0.7
137.02457	2.6
143.03525	2.2
144.42293	0.6
145.02971	16.9
146.07419	0.6
147.04539	0.6
149.06082	2.1
154.02734	0.8
159.08304	0.6
161.04547	3.5
161.06085	2.6
161.09726	15.7
163.04012	13.1
165.05550	1.8
179.05632	12.6
179.07120	1.0
180.07925	5.9
191.07158	4.4
192.07938	0.6
193.12366	3.1
194.05804	0.9
195.06708	0.7
205.08688	0.9
209.08183	2.6
223.09621	0.7
225.11342	0.9
237.11339	28.2
271.02301	0.8
283.65604	0.5
287.12903	0.8
299.02020	2.7
307.08301	9.6
313.10822	0.8
314.11664	15.4
328.13171	0.8
329.13980	100.0
330.14316	2.1
331.15503	4.4
343.15604	1.1
361.16696	4.2
366.79202	0.5
417.17676	16.7
458.43344	0.5
491.19366	13.0
669.25781	6.4
822.05383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.0
69.07133	1.1
71.01378	100.0
73.02944	4.5
80.02681	1.1
81.03465	2.1
83.01433	1.6
83.05036	1.6
85.02962	6.3
87.00893	5.5
89.02427	18.9
89.02835	1.1
95.01422	1.5
97.02952	7.0
97.06600	1.2
99.00874	5.7
101.02425	12.7
109.06596	18.1
112.64758	1.1
113.02435	8.5
119.03520	2.2
125.02422	5.2
125.09730	2.0
127.11280	2.3
135.08144	2.2
136.05293	1.8
142.02724	4.3
161.04512	1.4
161.09720	1.5
163.11273	12.7
171.10298	13.2
179.05617	1.6
179.10728	1.4
181.12314	5.0
185.11868	1.7
199.09798	1.5
201.11290	10.3
206.12755	1.2
207.10287	58.5
209.11876	2.2
221.06644	1.6
225.11345	42.8
235.08087	1.6
277.21735	36.8
295.56693	1.1
397.13495	18.3
415.14511	6.7
419.62207	1.1
605.24542	2.0
623.25250	9.1
883.47217	17.9
884.47144	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	903.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89331	0.2
63.94442	0.2
69.03468	0.2
71.01379	7.4
72.99324	0.4
73.02969	0.3
84.58742	0.2
85.02958	7.4
86.81629	0.2
87.00882	2.0
89.02448	9.7
92.10110	0.5
93.03475	2.6
93.03981	0.3
95.01381	0.5
99.04525	2.2
100.06843	0.2
101.02448	5.3
107.05076	0.3
109.02976	0.3
111.04547	1.3
113.02448	4.1
119.03497	3.5
119.05028	1.2
124.05285	0.3
125.02424	0.5
127.04043	1.6
133.10185	0.4
135.11775	2.5
143.03471	0.3
145.02965	1.5
146.46965	0.2
149.04533	0.4
161.04602	0.8
161.09727	4.1
163.04068	0.5
171.02998	0.2
173.04556	1.4
179.05617	0.9
179.10782	19.5
185.97276	0.3
191.05635	100.0
192.06013	0.4
203.10870	0.3
205.08661	0.4
217.33861	0.2
221.11905	0.3
223.09784	28.6
241.04982	0.8
256.07434	0.4
265.10672	1.5
271.09836	0.5
337.05270	0.4
337.09344	11.9
385.15109	8.3
403.16138	22.6
409.26184	0.2
431.74768	0.2
565.21448	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	10.4
71.19816	1.7
73.24901	1.5
80.38885	1.7
81.91615	1.5
82.13641	1.8
96.96017	15.6
101.02457	7.6
106.04214	2.4
113.02417	2.5
119.05003	3.9
125.02437	11.6
129.25162	1.9
137.02487	3.3
137.06075	100.0
151.10083	2.1
152.01041	2.1
160.52768	2.0
161.04547	11.1
167.03520	2.5
168.23488	1.9
177.01921	10.4
200.11368	2.1
230.04144	2.0
299.11243	3.8
305.06714	2.6
344.04114	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	899.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25307	0.6
71.01379	8.5
73.02944	1.1
77.77893	0.6
83.01393	1.5
85.02938	3.5
95.01353	0.9
96.96010	4.6
99.00854	1.1
101.02428	2.9
106.04271	2.6
107.05042	0.8
107.27119	0.7
108.02221	0.7
111.34117	0.6
113.02452	3.5
119.05008	3.1
125.02428	4.2
137.02429	2.7
137.06085	100.0
138.06534	1.0
139.44095	0.9
144.59438	0.8
160.18405	0.7
161.04562	11.5
177.01901	1.4
294.77374	0.7
299.11301	8.5
310.80569	0.7
518.04669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65875	3.1
70.24730	2.6
71.01380	100.0
76.77754	2.9
76.93718	3.0
83.01382	2.9
85.02966	3.3
87.00851	3.1
89.02453	12.7
97.02955	6.6
99.32557	2.8
101.02448	14.0
107.32310	3.5
108.39462	3.4
109.06590	11.9
113.02459	6.0
114.88895	2.8
116.92858	3.4
117.55378	3.3
125.02442	5.9
135.10278	3.2
163.11296	7.5
171.10220	11.7
193.26910	3.0
201.11356	4.2
207.10268	46.1
225.11299	24.0
262.36050	3.1
277.21722	47.0
307.57050	3.6
307.96094	3.2
397.13513	22.2
623.25043	3.3
656.24463	3.1
740.05688	4.1
883.47095	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	899.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	2.1
71.01374	4.2
83.01392	1.4
85.02963	0.9
89.02438	5.6
91.82919	0.3
95.01411	0.4
95.99290	0.3
99.04490	2.7
101.02454	2.1
105.67658	0.4
107.01402	5.6
108.02186	0.9
109.02959	1.7
113.02464	2.0
119.03493	1.0
121.02957	2.4
125.02450	2.2
129.97588	0.4
135.00868	0.5
144.78285	0.4
148.01625	0.7
149.02486	0.6
150.03203	2.0
151.00375	21.5
151.04018	2.2
152.01140	1.8
153.02023	0.4
155.50215	0.4
163.00354	2.6
165.12816	0.6
169.01460	0.6
178.99837	7.8
180.35544	0.4
199.04042	0.7
203.03293	0.4
207.13890	3.0
209.11853	8.2
211.04007	0.5
212.04753	0.4
215.03545	0.8
216.04340	0.6
225.15053	3.6
226.02821	0.5
227.03540	2.3
229.04979	0.5
238.52426	0.4
243.03006	8.3
243.12433	0.5
245.04512	0.9
251.12872	1.8
254.02226	2.2
255.03012	23.4
256.03452	0.6
269.13947	14.2
271.02509	49.3
272.03082	2.3
273.03918	0.7
283.02222	0.7
285.04074	4.5
287.15054	0.9
299.02118	0.7
300.02777	100.0
301.03540	43.3
301.07141	0.5
302.03757	0.6
303.04974	0.7
405.18002	0.5
435.09436	5.4
449.20358	31.7
463.08905	90.0
464.09094	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	897.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55741	0.7
83.01402	4.2
84.59773	0.7
85.89133	0.8
92.10133	0.9
93.03452	4.3
95.05033	1.4
96.96003	4.0
97.02987	1.2
105.03488	1.2
107.05025	1.7
109.02952	13.9
121.02950	6.4
123.04520	4.9
125.02437	83.9
126.02604	0.9
131.05040	3.1
133.02901	2.9
137.02438	17.3
138.03261	0.7
139.03963	3.4
149.02455	11.6
151.03998	15.9
158.03746	0.8
159.04520	1.8
161.02458	4.1
161.06073	1.0
163.00378	3.2
163.04010	4.7
164.01155	5.4
165.01913	7.3
167.03491	3.6
173.06073	1.1
175.03989	22.7
176.01097	1.1
177.01933	100.0
178.02390	1.0
179.03474	4.1
184.88927	0.8
187.03979	3.8
188.04701	1.0
189.01949	3.4
189.05568	1.1
190.02679	0.9
191.03540	1.5
193.04921	1.6
199.04015	9.4
201.05519	1.2
203.03516	1.4
203.07164	5.1
205.05087	1.8
211.03896	1.3
213.21115	0.9
215.03476	1.7
217.01543	1.6
217.05096	11.4
219.03021	7.2
225.05357	0.9
227.07028	1.0
228.04256	1.5
229.05043	4.1
231.03043	1.7
243.02986	40.0
245.08119	5.1
255.03026	10.4
256.03632	3.6
257.04495	1.5
259.06268	1.2
261.04022	13.1
267.03091	1.1
269.04581	3.7
273.04016	2.0
281.04526	3.2
283.02518	1.9
285.04181	3.6
289.07178	18.7
293.04605	1.2
297.04196	1.2
303.05151	13.2
315.05209	0.9
315.08643	1.1
339.08719	1.7
379.04449	1.0
391.04678	1.2
407.07733	11.6
421.05637	3.2
423.07355	3.6
425.08768	5.2
429.08301	4.2
439.06949	1.5
441.08325	1.1
467.09753	3.5
525.08276	3.4
543.09534	7.9
559.09314	1.3
561.10400	4.0
577.09766	0.9
585.09973	1.0
593.13470	7.0
640.59540	1.1
711.13629	11.4
729.14685	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	897.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89693	0.4
67.65327	0.4
72.64428	0.5
73.00642	0.4
75.43741	0.4
78.52886	0.5
81.03492	0.8
81.31606	0.4
83.00966	0.5
83.01378	3.7
86.45774	0.5
89.19499	0.6
93.03484	3.5
95.05038	0.8
96.96037	0.8
97.02970	2.5
105.03452	1.0
107.05049	3.2
108.02170	0.4
109.02964	13.3
111.37823	0.5
121.02975	7.1
121.06676	0.5
123.00889	0.6
123.04510	7.8
124.01702	0.7
125.02446	82.0
131.05025	2.4
133.02968	4.7
135.04514	2.1
137.02441	17.3
139.03996	4.9
145.03050	1.0
147.00911	0.7
147.04546	0.8
149.02454	11.0
149.06105	0.6
151.04007	15.2
155.04977	0.5
159.04538	2.9
161.02457	2.9
161.06113	3.4
162.03180	0.5
163.00397	3.7
163.04031	6.2
164.01160	5.4
165.01921	7.6
165.19421	0.5
166.02727	0.9
167.03564	3.8
173.06151	0.8
175.00444	0.7
175.04024	20.0
176.01143	2.0
177.01942	100.0
177.05298	1.9
178.02441	2.1
179.03543	3.5
183.04466	0.7
185.02348	0.7
185.06116	0.7
187.04001	7.0
188.04794	2.0
189.01967	3.6
189.05620	1.8
190.02638	1.8
191.03484	4.8
193.05077	2.5
195.62477	0.5
199.04005	8.9
200.04446	0.5
201.02014	2.0
201.05658	1.1
203.03517	1.9
203.07140	4.3
205.01402	0.7
205.05067	5.5
211.04025	2.6
213.05626	1.2
214.02663	0.5
215.03523	1.9
215.07178	0.6
217.01678	1.6
217.05089	12.1
219.02997	9.4
219.06628	0.9
221.08243	0.8
227.03531	2.4
227.07132	0.6
229.05095	4.5
231.03033	2.9
242.02277	0.9
243.03008	37.3
244.03471	0.6
245.04611	0.9
245.08220	6.3
247.06288	0.6
253.05006	0.8
255.03053	10.4
256.03723	3.9
257.04562	3.0
259.06140	0.8
261.04068	13.1
269.04575	3.2
273.04126	3.4
277.04678	0.5
281.04672	3.7
282.01801	0.9
283.02493	2.4
283.05826	0.4
285.04153	3.9
289.07233	17.5
293.04642	2.0
295.02615	0.7
303.05139	12.8
305.06744	3.2
315.05121	0.9
315.08691	0.7
323.05414	0.6
339.08725	1.8
341.06760	0.6
347.05713	0.8
373.03543	1.1
383.07797	0.9
391.04721	2.6
407.07822	15.1
409.52908	0.6
411.07336	0.6
413.08569	0.9
421.05649	2.8
423.07367	3.6
425.08862	7.1
429.08234	2.7
439.06830	2.1
441.08179	0.9
467.09976	4.7
481.07962	2.5
525.08472	4.1
541.08215	0.6
543.09369	7.1
559.09155	1.1
561.10687	0.8
577.10059	0.7
591.11786	0.6
593.13031	5.5
603.12311	0.6
607.11780	1.6
673.04675	0.6
711.13702	7.9
729.14789	2.5
897.19208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42962	0.4
64.51011	0.4
73.02951	0.9
89.19574	0.4
99.92582	7.7
99.93859	0.4
114.93411	0.7
116.92858	100.0
117.01939	1.7
133.46884	0.4
145.13319	0.4
171.46455	0.5
179.85571	0.5
216.23389	0.4
418.31921	0.4
436.68866	0.4
789.23511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03962	0.6
79.82471	0.5
83.01409	0.6
92.10785	0.5
93.03481	0.7
96.44310	0.5
100.73058	0.5
107.01404	2.3
108.02201	0.5
109.02952	1.8
117.03474	3.5
121.02960	2.6
135.04550	1.0
148.01625	0.7
149.02463	1.1
151.00388	8.4
156.19174	0.6
159.04588	0.6
161.02391	2.0
163.00388	1.9
163.03998	2.5
178.99821	4.0
188.36292	0.5
191.03529	0.8
203.03560	0.7
220.82324	0.6
226.02756	1.1
227.03549	2.9
239.07149	0.6
243.03035	7.6
245.04596	0.8
254.02295	2.1
255.03049	22.1
257.04300	0.5
263.09839	0.5
271.02524	46.8
272.02988	2.8
273.04105	0.9
282.05331	0.7
283.02902	0.7
283.06155	22.8
293.04675	0.8
299.02002	1.0
300.02798	100.0
301.03580	31.1
301.06482	0.8
311.05673	33.9
323.05609	1.0
341.06766	2.4
431.09885	26.7
461.07144	0.7
463.08948	78.8
464.09311	2.2
702.11804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86608	0.4
66.11551	0.4
66.47325	0.5
67.53876	0.4
83.09821	0.6
93.03481	0.6
96.96017	0.7
102.30257	0.5
107.01401	0.8
119.99571	0.6
125.02413	0.6
126.42002	0.5
151.00378	2.5
177.01907	0.7
178.99780	0.8
185.05963	0.6
227.03519	54.3
229.05151	0.6
243.03020	0.7
255.03001	67.9
256.03732	7.3
271.02484	2.3
274.23096	0.5
284.03281	85.1
285.04071	21.0
299.02106	0.9
300.02808	3.2
301.03223	0.7
309.18903	0.6
314.04276	0.7
315.05276	0.7
433.07932	2.1
447.09390	100.0
448.09711	1.1
521.62482	0.6
523.21924	0.7
616.25970	0.6
772.13300	0.7
923.45245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58197	1.2
79.86118	1.2
83.01408	1.3
93.03473	2.4
96.96033	8.5
109.02973	12.7
111.04492	1.8
121.02982	2.6
123.04525	2.5
124.01618	1.7
125.02455	100.0
133.02943	5.4
137.02473	19.5
139.04004	3.3
149.02428	11.0
149.06186	1.9
151.04057	15.0
161.02469	9.1
162.03105	1.5
163.00331	1.5
163.04062	5.5
164.01167	3.2
165.01942	7.9
167.03535	8.2
175.04031	20.2
177.01953	75.4
177.03506	2.8
179.03584	2.7
187.04062	3.0
189.01894	2.7
191.03638	5.2
199.04022	6.6
202.99855	1.4
203.03505	1.7
203.07187	2.3
217.05186	10.0
219.03001	3.3
219.06651	3.1
228.04372	1.4
229.05092	2.3
243.03012	29.6
245.08276	2.5
248.03136	1.7
255.02945	12.0
256.03790	2.4
257.04602	2.1
261.04153	10.0
262.28195	1.9
269.04648	2.6
273.04083	3.0
283.02588	6.2
285.03998	2.4
287.05609	2.7
289.07169	8.3
293.45953	1.5
303.05264	9.9
305.06723	9.3
407.07877	6.9
423.07260	10.6
425.08832	2.7
441.08383	5.0
483.09467	2.1
543.09601	2.1
591.12177	1.8
593.13092	2.4
609.12439	2.8
711.13727	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	891.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	2.9
69.03454	1.0
69.07842	0.1
71.01383	1.4
73.02950	0.2
81.03458	0.8
81.18828	0.1
83.05029	0.8
84.12509	0.1
85.02443	0.2
85.02954	4.6
85.03454	0.2
87.00875	6.2
93.03456	23.4
97.02940	0.2
99.00875	0.5
99.04522	0.6
101.02455	0.1
109.02964	0.6
111.04530	4.9
113.02444	0.4
115.04013	0.1
117.03476	0.1
119.05029	8.7
125.02401	0.1
127.04017	1.7
127.58826	0.1
129.01955	0.7
137.02463	0.5
143.03514	0.1
145.02982	1.8
149.29141	0.1
150.40814	0.1
155.03503	1.2
163.04022	9.1
171.03000	0.3
173.04561	13.1
191.05643	100.0
192.06003	0.6
215.13718	0.1
264.51389	0.1
302.26248	0.1
337.09369	26.3
338.09668	0.4
473.17142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.4
63.27337	0.2
69.03471	1.4
71.01380	17.0
72.99310	0.6
73.02944	2.6
80.02698	1.6
81.03469	1.7
83.01392	2.6
83.05025	4.9
84.02162	1.3
84.08492	0.3
85.02951	4.6
85.59491	0.3
87.00858	3.5
87.04516	0.5
89.02439	18.0
95.01413	1.6
95.05067	0.4
97.02948	3.6
97.06600	0.3
99.00902	1.2
99.04559	0.4
101.02439	12.2
109.02921	0.3
109.06596	0.3
111.04531	0.5
113.02448	6.2
116.33649	0.2
119.03498	4.0
125.02439	5.1
126.72987	0.3
131.03513	0.4
133.05067	0.4
135.08162	0.5
139.03966	0.4
141.01907	0.4
143.03497	2.1
150.02449	0.3
161.04552	3.3
163.11290	4.9
165.12823	3.3
168.51486	0.2
179.05556	2.7
181.12402	0.5
185.04643	0.4
191.10817	1.1
209.11858	100.0
210.12158	0.5
217.07115	0.5
221.06708	1.5
227.12906	10.0
235.08238	5.0
253.09235	0.5
277.21753	53.7
278.22162	1.1
287.07742	1.1
305.08813	1.6
339.22653	0.3
347.09961	0.3
379.12476	5.3
397.13535	36.2
398.14325	0.3
415.14633	9.6
607.25879	0.4
675.35883	0.4
870.99048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90019	0.2
61.98853	0.3
69.03465	0.5
71.01384	13.8
72.99324	0.9
73.02959	2.2
80.02675	1.7
81.03452	1.8
83.01402	1.8
83.05030	6.1
84.02173	0.5
85.02957	3.7
86.00127	0.2
87.00875	3.6
89.02444	13.6
92.10057	0.2
95.01417	1.2
95.05033	0.5
97.02946	2.1
98.76259	0.2
99.00883	0.3
101.02435	9.4
101.47156	0.2
109.02991	0.4
109.06629	0.3
111.08143	0.2
113.02452	6.1
119.02750	0.3
119.03507	3.6
125.02428	4.4
125.06088	0.3
132.17758	0.2
135.08156	1.0
139.04005	0.4
141.72913	0.3
143.03526	2.0
147.11783	0.3
149.04541	0.3
161.04573	2.7
163.11296	5.1
165.12852	3.3
167.03493	0.5
173.09569	0.3
179.05594	3.0
181.12331	0.5
185.04568	0.3
185.38051	0.3
191.10843	1.2
199.06003	0.2
209.11856	100.0
210.12228	0.9
217.07233	0.4
221.06683	1.5
226.85570	0.2
227.12888	8.0
235.08237	4.3
253.09378	0.5
263.07718	0.3
277.21735	38.8
278.21973	0.4
287.07724	1.0
305.08847	1.1
323.09915	1.0
379.12503	4.5
397.13559	25.0
398.14523	0.3
415.14590	6.2
433.22983	0.2
607.26276	0.9
687.22778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	0.9
71.01380	12.3
72.99320	0.6
83.01391	1.7
85.02956	3.3
87.00899	0.5
89.02444	12.7
91.47963	0.2
95.01418	1.3
97.06606	0.4
99.04527	8.7
101.02450	6.4
107.01404	1.7
108.08583	0.2
109.06606	1.0
112.13756	0.2
113.02464	5.4
119.03499	4.6
121.06577	0.3
125.02473	1.4
131.03496	0.4
133.03038	0.2
137.09717	1.0
150.03218	0.4
151.00406	5.1
151.04007	1.1
152.01215	0.9
155.10803	8.9
163.11292	0.4
165.12846	5.2
178.99867	0.5
189.12900	0.6
191.05640	0.4
199.09781	5.7
207.11972	0.4
207.13940	11.8
209.11867	33.0
210.12175	1.1
225.14998	8.7
251.12903	7.5
269.13980	56.2
270.14294	0.4
285.04199	2.1
287.15131	0.3
298.51248	0.3
303.05035	0.5
361.15204	0.9
386.32413	0.3
431.19504	0.3
435.09344	1.3
449.20343	100.0
450.20697	1.7
724.03339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	0.9
71.01382	11.9
72.99328	0.7
73.02948	0.2
78.09342	0.1
83.01390	1.1
83.05043	0.3
85.02949	2.9
87.00882	0.5
89.02437	13.1
92.10133	0.5
93.03477	0.2
95.01375	1.3
95.05042	0.2
97.06561	0.5
98.03763	0.1
99.04507	9.0
101.02430	6.3
104.91470	0.1
107.01402	1.2
107.58965	0.1
109.06612	0.9
111.04520	0.2
113.02444	4.6
113.45935	0.2
119.03490	3.9
121.06615	0.1
123.04517	0.3
125.02459	1.2
133.02968	0.3
137.09758	0.3
143.03532	0.2
147.11786	0.1
150.03253	1.0
151.00363	4.8
151.03986	1.3
152.01129	0.6
155.10773	4.1
163.11269	0.6
163.14970	0.2
165.12836	4.6
171.11832	0.2
175.03949	0.2
177.01933	0.2
178.99855	0.9
179.05591	0.2
189.12947	1.4
191.05617	1.3
191.10788	0.3
199.04118	0.1
199.09789	2.6
207.13924	12.4
209.11853	33.8
210.12166	0.3
225.14986	9.8
227.12953	0.5
233.11723	0.2
251.12897	7.7
255.02936	0.2
269.13962	55.9
270.14368	0.7
285.04056	2.7
287.14963	0.5
300.02710	0.3
301.03104	0.6
303.04926	0.7
361.15036	0.3
431.19293	0.3
435.09274	1.2
449.20331	100.0
450.20712	2.8
451.20834	0.7
490.28564	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02414	0.6
65.61574	0.7
74.31933	0.6
80.29967	0.7
81.03466	1.3
83.01389	4.9
87.20519	0.6
93.03478	1.4
95.01358	1.1
95.05027	1.1
97.02962	1.2
107.05053	2.7
109.02968	16.9
121.02971	6.2
123.04539	11.0
123.05379	1.0
125.02449	100.0
125.88846	0.7
126.02792	1.2
131.05003	2.7
133.02963	4.8
135.04529	2.6
137.02455	16.7
139.04050	1.5
142.68829	0.6
145.02988	1.1
147.04669	0.8
149.02467	10.8
149.06093	0.9
151.04024	19.8
159.04506	3.5
161.02454	17.0
161.06084	3.5
162.03175	2.9
163.00386	2.8
163.03975	5.4
164.01140	6.5
165.01929	7.3
167.03522	3.5
173.02603	0.7
173.06062	1.4
174.03253	0.9
175.04019	19.3
175.07628	1.4
176.01111	1.5
177.01938	68.5
177.05417	1.3
179.03450	3.1
185.06067	0.8
187.04066	7.9
188.04727	2.8
189.01956	4.2
191.03575	3.3
193.05029	0.8
197.06239	0.9
199.04002	4.8
201.01971	1.1
201.05510	1.4
203.03491	3.2
203.07068	6.2
205.05118	6.7
211.04073	2.6
213.05655	1.2
215.03543	3.0
217.01465	1.2
217.05060	9.5
219.03062	5.9
221.04767	0.7
225.05635	1.3
227.03493	2.9
227.07104	1.3
228.04422	1.2
229.05046	4.9
231.02977	3.0
241.05095	0.9
243.03021	23.4
243.05782	0.7
243.06659	1.1
245.01224	0.7
245.04512	3.6
245.08235	8.1
247.06108	1.1
255.03061	11.1
256.03687	3.0
257.04510	1.3
261.03995	7.8
269.04617	4.0
273.03979	3.2
281.04529	3.7
283.02438	4.0
285.04050	3.4
287.05609	7.8
289.07205	22.1
297.04257	0.8
297.07724	0.8
299.05692	0.8
303.05164	8.3
327.05228	1.4
339.08768	1.3
341.06860	1.5
381.10046	0.7
407.07800	23.2
408.08035	0.9
413.08728	5.1
425.08649	10.2
439.07053	0.7
441.08868	1.2
457.17197	0.8
465.07867	2.6
467.09787	4.2
517.11115	0.8
525.08484	2.8
536.97571	0.7
543.09418	5.0
561.10565	2.6
587.12396	1.5
591.11346	1.5
593.13135	8.5
695.14508	1.3
711.13660	3.2
713.14978	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	881.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02414	1.3
63.02685	0.1
65.00328	15.7
71.01404	0.8
75.22057	0.1
83.01389	8.1
85.02976	0.2
87.00889	0.3
89.02461	1.0
89.59357	0.2
93.03459	0.2
95.01398	0.2
96.96010	0.2
101.02457	0.3
105.03465	0.4
107.01399	28.3
108.99326	0.6
109.03001	1.1
111.00924	0.2
113.02450	0.2
119.03461	0.2
121.02973	0.3
122.03761	0.8
123.00881	0.3
123.04531	10.4
124.01689	1.5
125.02445	10.7
133.02954	4.8
135.04543	2.9
137.02452	0.3
139.03975	0.2
146.03763	0.2
147.04536	0.6
149.02467	2.1
150.03241	11.0
151.00389	100.0
151.04008	28.3
152.01175	7.5
153.01930	0.7
155.05032	0.2
159.04500	0.6
161.06128	0.2
163.04022	0.2
167.03613	0.2
167.05055	0.2
169.01440	2.3
171.04517	0.7
173.06085	0.2
174.03223	0.3
175.04019	2.9
176.01175	1.4
177.01973	1.5
177.28804	0.1
178.99878	9.1
180.00685	0.3
185.06142	1.1
187.03970	0.4
189.05559	0.8
197.06142	0.3
198.03239	0.6
199.04033	3.1
201.01953	0.9
211.04070	0.2
212.04884	0.3
213.05603	1.6
215.03546	1.3
216.04335	0.3
217.05069	1.8
219.03075	0.2
229.05031	1.1
239.03499	0.3
240.04362	0.2
241.05026	2.5
243.03046	0.7
257.04547	1.9
259.06116	0.3
267.02994	0.4
275.05640	0.2
283.02835	0.2
285.04086	61.0
286.04385	1.1
302.04459	0.6
303.05185	2.4
313.09378	1.0
339.07349	2.1
340.25867	0.2
361.79480	0.1
371.62262	0.1
447.09537	0.3
465.10443	56.3
466.10971	1.1
663.54803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48848	1.1
70.52603	1.1
79.70365	1.3
81.03533	1.3
83.01397	2.1
86.42800	1.3
96.96007	9.6
97.02961	2.6
104.80035	1.4
109.02962	13.6
121.02962	2.9
123.04538	9.9
125.02449	100.0
128.39159	1.4
133.02977	2.1
137.02461	18.3
149.02451	8.4
151.04001	11.2
159.04523	1.7
161.02492	15.0
161.06114	2.2
163.04050	2.8
164.01147	6.3
165.01956	6.5
175.03993	14.8
176.01189	1.8
177.01944	66.4
177.03503	2.4
179.03557	1.7
187.04053	6.5
188.04764	1.5
189.01935	1.9
191.03555	3.3
198.50714	1.3
199.04031	2.3
203.03426	2.3
203.07185	5.8
205.05078	6.4
213.05534	1.8
215.03549	1.5
217.05159	10.3
219.03015	9.3
227.03508	2.2
229.05080	2.6
231.03047	1.5
243.02969	23.4
245.04478	2.8
245.08264	8.0
255.02983	10.8
256.03757	1.5
257.04544	2.7
261.04037	7.6
269.04651	2.4
281.04623	2.9
285.04224	1.7
287.05661	6.8
288.23721	1.3
289.07199	20.5
303.05038	10.2
339.08923	1.6
407.07733	22.8
413.09097	7.1
425.08755	10.0
465.08768	2.1
467.09869	5.4
543.09338	2.4
591.11609	2.2
593.12970	10.8
711.14655	1.7
881.19238	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90196	0.6
65.03976	0.6
69.61229	0.5
81.03451	0.9
82.19164	0.6
83.01403	4.2
88.58641	0.6
92.10142	0.6
93.03469	1.4
95.05012	1.4
97.02946	1.4
99.04421	0.7
107.05030	1.5
109.02939	16.1
111.36337	0.7
117.03469	1.0
121.02947	6.1
123.00836	0.6
123.04515	8.9
125.02425	100.0
131.05019	1.4
133.02916	5.3
135.04552	1.6
137.02428	18.3
139.03989	3.2
145.02895	1.1
146.03825	0.7
149.02406	7.5
149.06129	0.8
151.04001	18.6
159.04492	4.3
161.02426	25.3
161.06123	2.5
162.03159	1.0
163.00368	5.0
163.03978	5.5
164.01192	6.3
165.01897	6.9
167.03520	2.8
173.06029	1.3
174.03235	1.0
175.03992	24.0
176.01128	1.4
177.01912	66.9
177.05588	1.5
178.02316	0.8
179.03558	2.3
185.17288	0.6
187.04034	6.1
188.04782	1.4
189.01947	3.7
190.02875	0.8
191.03551	4.0
191.05290	0.9
193.05032	1.2
199.03972	9.8
201.02032	1.2
201.05560	1.4
201.36493	0.6
203.03494	3.0
203.07130	5.6
205.01451	1.2
205.04955	5.1
211.04071	2.4
212.04953	0.9
214.02719	0.9
215.03506	1.4
217.05034	11.6
219.02965	7.4
219.06549	1.2
225.05510	1.2
227.03603	1.3
227.07127	0.9
229.05017	3.1
231.03009	1.1
231.06668	1.0
241.05109	0.9
241.62627	0.7
242.02324	0.8
243.00410	1.2
243.02963	38.0
244.03575	0.8
245.04568	5.9
245.08133	6.7
247.06192	0.8
253.04865	0.9
255.02959	10.9
256.03711	4.0
257.04535	3.2
261.04031	12.0
267.02914	0.8
269.04553	1.6
273.04120	1.6
281.04556	2.9
282.01752	3.0
283.02438	4.1
285.04034	3.4
287.05624	10.2
289.07181	18.5
293.04596	0.9
297.04105	1.5
299.05643	3.0
303.05096	7.7
323.97137	0.7
327.05109	1.0
339.08707	1.4
363.05154	0.9
373.03833	0.9
383.07553	1.1
387.05304	1.3
391.04465	1.5
403.07642	0.8
405.06079	7.0
407.07663	16.3
423.07077	5.1
425.08905	7.3
429.08154	3.1
451.10559	3.7
465.08328	4.3
467.09885	0.9
525.08496	1.3
543.09143	5.9
559.09839	0.8
561.10583	1.4
577.13464	8.3
591.11273	3.3
614.94244	1.0
695.14056	8.6
700.20367	0.8
711.13763	1.0
729.15002	1.1
881.18616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
73.03003	0.3
73.82327	0.3
80.06527	0.2
83.01385	0.3
89.02478	0.5
92.47608	0.3
101.02446	0.2
105.14829	0.2
107.01347	2.1
108.02184	0.7
109.02911	0.7
115.02684	0.3
121.02955	1.1
122.43856	0.3
125.02459	0.6
135.00909	0.6
148.01709	0.4
149.02441	0.5
151.00346	6.4
153.01880	0.3
163.00343	1.8
164.01094	0.6
170.41040	0.3
175.03909	0.3
178.99887	2.3
211.04031	0.4
214.39189	0.3
215.03441	0.5
216.04332	0.3
225.11397	0.5
226.02708	1.1
227.03502	9.2
227.07159	1.2
243.02945	6.9
245.04633	0.6
254.02194	1.5
255.02968	31.4
256.03693	1.5
271.02463	44.8
272.03116	1.7
273.03839	0.5
283.02618	0.5
284.03238	9.7
285.04037	2.2
286.20575	0.3
299.02032	1.2
300.02744	100.0
301.03500	17.9
433.07745	70.1
434.08279	1.1
447.09369	10.6
871.10010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33314	1.5
64.65789	1.4
65.19604	1.5
70.32247	1.6
71.01380	100.0
71.05065	1.6
73.02952	6.5
81.03490	2.6
83.01405	2.2
85.02965	7.2
85.20677	1.4
87.00888	7.0
89.02435	22.1
95.56187	1.5
97.02968	9.1
99.00911	3.7
101.02429	15.8
109.06599	14.9
113.02443	8.3
116.92851	2.4
119.03481	3.7
125.02422	3.1
125.09697	1.9
135.08195	2.7
152.70752	1.8
161.04611	3.3
163.11273	12.1
171.10271	10.9
181.12296	2.6
201.11398	3.2
207.10298	57.9
225.11394	27.1
235.08327	6.3
241.94328	1.7
255.23303	68.5
277.21848	1.9
397.13498	23.4
415.14658	8.3
496.13290	1.8
605.24060	2.5
623.25958	2.3
628.43182	1.7
650.11053	2.1
719.24164	1.8
756.73425	2.2
791.33899	1.8
861.48474	23.8
862.50043	2.4
890.83954	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	875.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.3
66.00740	0.1
79.95733	28.3
87.77145	0.1
95.95229	0.8
96.96005	100.0
107.01411	0.9
108.01691	0.2
109.02965	0.2
109.96790	0.8
110.97598	1.5
123.04471	0.5
124.95523	0.1
125.02422	0.6
126.29571	0.1
126.52005	0.1
141.95787	2.4
150.03241	0.3
151.00386	3.5
151.03914	0.6
152.00716	1.3
152.04333	0.2
153.00827	0.6
161.77672	0.1
167.00197	0.8
178.99858	0.6
187.05821	0.1
190.06345	0.2
241.04964	0.2
285.04022	0.9
286.04495	0.9
287.04602	0.6
288.04816	0.2
303.05261	0.3
304.05753	0.2
305.05563	0.2
313.10788	1.1
329.10406	0.5
344.12708	0.6
348.61716	0.1
359.15143	1.0
424.08389	1.3
435.09479	0.6
436.09857	0.5
437.09814	0.9
438.10254	0.7
439.10739	78.9
440.10934	1.2
441.55676	0.1
732.98840	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17612	0.5
69.03467	1.2
71.01379	47.4
72.99306	35.9
73.02944	15.4
74.99110	0.9
75.70419	0.5
81.03470	0.7
83.01388	7.1
83.05051	0.7
85.02950	23.3
85.03455	1.1
87.00887	5.4
89.02441	23.7
93.03450	1.7
95.01415	3.3
95.05045	2.9
96.96021	2.9
97.02970	3.1
97.06583	1.0
99.00884	7.8
101.02438	43.2
107.05035	1.1
109.06626	2.4
111.00866	0.6
113.02458	22.2
113.06111	0.7
115.04016	1.1
119.03495	5.4
119.04980	0.6
121.06594	10.9
123.04527	1.4
125.02432	5.5
131.03519	2.6
137.02486	1.0
143.03540	2.9
149.04645	1.9
149.09727	0.8
151.04059	0.5
153.05579	0.9
159.02972	3.6
159.04219	0.5
159.11897	0.8
161.04555	19.1
161.09747	1.1
163.04047	0.7
164.04817	0.6
167.03517	3.4
173.04590	2.9
175.11229	1.0
177.01932	0.7
177.12843	5.9
187.11273	3.7
191.05612	3.8
205.12399	1.0
208.03674	1.0
221.11957	2.2
223.06152	2.9
231.10338	6.3
233.06677	2.8
249.11298	7.1
269.10312	17.3
293.10370	14.0
306.91254	0.7
311.11279	1.0
327.08725	4.3
401.10483	1.2
401.14490	80.6
473.16708	100.0
474.16891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67568	0.3
65.00313	0.7
71.01369	10.0
72.99316	0.6
79.95723	0.7
83.01373	1.4
83.05000	0.4
83.94792	0.3
85.02937	2.2
87.00851	0.4
89.02429	12.9
92.10072	0.6
95.01373	0.5
95.95184	0.4
96.95987	2.9
99.04507	6.9
101.02435	6.0
106.50380	0.3
107.01381	2.1
113.02419	3.9
119.03479	3.5
125.02415	1.6
145.08817	0.3
150.03210	0.4
151.00339	6.1
151.03967	1.7
152.01030	0.7
155.10735	1.3
159.47186	0.4
165.12831	4.2
167.00203	0.8
178.99800	2.0
189.12872	0.6
191.05608	0.6
199.09695	0.7
207.13890	12.2
209.11830	27.8
225.14946	7.5
225.79352	0.3
227.12865	0.3
251.12836	6.6
269.13934	48.4
274.25125	0.4
283.44934	0.4
285.03995	3.1
287.14835	0.4
303.05026	0.6
389.65170	0.4
421.39359	0.4
435.09079	1.3
441.12311	2.9
449.20276	100.0
450.20615	1.4
790.89795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65363	0.3
65.00307	0.3
71.86293	0.2
74.58975	0.3
79.27582	0.3
91.41291	0.3
101.02455	0.3
107.01385	0.3
109.02928	0.3
117.37971	0.3
125.02442	0.5
125.39050	0.3
147.31175	0.3
149.19424	0.3
151.00395	2.5
153.01984	0.3
165.01984	0.4
178.99825	0.5
187.03935	0.3
195.06555	0.3
211.03978	0.5
219.25079	0.3
227.03522	53.6
228.03856	0.5
229.05128	0.6
255.03006	73.7
256.03705	7.0
271.02634	0.4
284.03284	81.0
285.00848	0.5
285.04034	15.4
300.02710	0.5
327.05115	1.4
337.53720	0.3
342.66388	0.3
447.09384	100.0
448.09845	1.8
501.48990	0.3
523.21765	0.4
544.69836	0.3
590.13153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25733	1.0
71.01386	16.8
71.18044	1.1
72.99320	1.4
73.02943	1.0
82.21506	0.9
83.01387	1.7
85.02972	5.7
86.76169	1.1
87.00871	1.2
89.02441	19.1
94.02979	8.2
96.96004	1.1
101.02422	11.4
106.06650	6.3
108.04549	1.6
113.02444	9.3
119.03497	6.0
122.06125	5.3
124.04050	1.4
125.02426	4.6
132.04472	1.8
134.06123	32.0
136.04063	1.8
138.05602	2.1
139.04050	1.1
150.05618	5.3
150.88377	1.0
152.07146	8.3
174.05573	1.0
177.01875	1.8
190.05095	2.0
201.10384	4.3
213.10402	2.0
224.09746	1.1
225.07901	1.1
225.10345	2.0
227.11952	3.9
229.09831	5.6
229.13394	1.7
237.10231	2.4
239.11871	5.9
241.09793	1.3
249.10280	4.3
251.08377	3.7
251.11867	4.4
252.09001	2.0
253.09735	4.9
255.11446	2.5
257.12900	1.9
259.10657	1.5
263.08154	5.3
264.09100	2.1
265.09790	4.4
266.10641	1.7
267.11392	6.1
273.12653	1.3
277.09833	8.1
278.07056	2.0
278.10599	4.7
279.07770	7.1
279.11346	11.9
291.07944	1.6
291.11591	2.0
292.08490	1.9
293.09348	16.4
294.10101	2.3
295.10849	7.9
300.02554	1.1
301.11920	7.2
301.86853	1.1
303.08838	1.3
305.09412	6.3
307.10944	8.5
309.12347	2.0
311.51559	1.4
319.12939	11.5
321.08826	6.0
337.08435	2.3
337.12042	1.4
339.09885	4.7
347.13330	1.3
347.16949	7.7
351.09891	5.8
356.14111	1.4
372.17517	2.3
374.15210	2.4
380.14233	1.2
392.16083	1.7
398.15042	1.5
403.15237	1.6
416.16171	5.2
432.15732	1.4
446.17084	1.9
468.15601	1.7
478.16940	1.2
486.16885	1.8
510.11917	1.3
605.43451	1.1
620.22479	4.4
638.23889	9.4
648.21619	5.5
649.22864	1.3
666.23267	18.6
680.25000	2.1
712.27283	1.9
745.26947	2.2
777.29858	5.7
805.29382	48.5
809.34009	1.4
819.31140	4.8
837.32025	100.0
838.32294	3.7
869.34662	23.5
870.35144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36285	0.5
62.15722	0.5
65.00330	0.6
69.53216	0.6
83.01421	0.7
99.00335	0.5
101.47398	0.5
107.01419	2.0
108.02196	1.0
109.03011	0.6
110.81402	0.5
113.02511	0.7
139.11295	8.7
146.15451	0.5
148.01671	0.8
151.00372	10.5
163.00397	3.0
178.99857	6.2
181.12373	6.9
183.10272	12.2
199.13422	4.0
211.04022	0.9
215.03590	0.6
225.11407	3.4
226.02710	0.9
227.03468	0.9
229.80867	0.7
243.03065	7.0
243.12393	48.1
245.04593	0.7
254.02164	1.2
255.03026	24.2
271.02509	47.8
272.03085	1.9
273.04187	0.9
300.02786	100.0
301.03568	38.0
302.66452	0.5
405.17694	22.2
463.08899	68.0
464.09390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03475	0.8
69.68555	0.2
80.02699	0.7
81.03468	3.3
83.01387	4.1
92.10849	0.4
93.03455	2.3
95.01392	1.0
95.05031	4.9
97.02948	8.5
99.04517	0.3
105.03475	0.3
107.05033	0.3
108.02191	1.0
109.02959	33.2
110.03283	0.3
111.04496	0.3
117.03484	0.3
120.02224	0.2
121.02957	4.7
122.03719	1.0
123.00875	0.2
123.04523	22.6
124.04883	0.4
125.02442	22.6
131.05063	0.2
133.02942	0.3
133.06592	0.4
135.04520	3.0
137.02441	15.8
138.03250	1.3
139.04021	5.8
139.05093	0.2
143.05026	0.3
145.02962	2.0
146.03754	1.6
147.04568	0.8
149.02444	5.9
149.06032	0.3
150.03265	1.4
151.04013	13.5
154.84587	0.2
157.06647	0.2
158.03696	0.3
159.04506	3.7
160.05296	2.5
160.14589	0.2
161.02464	1.5
161.06090	6.6
162.03238	1.8
163.03992	1.9
164.01155	4.0
165.01944	5.0
166.02628	0.4
167.03481	2.3
173.06052	1.6
174.03236	0.7
175.04044	3.4
175.07677	3.0
177.05591	1.2
179.02036	0.4
179.03513	7.8
183.04590	0.2
184.05351	0.3
185.06049	1.2
187.04013	6.7
188.04811	5.3
199.07651	1.0
201.05605	1.0
201.25883	0.2
202.06389	2.8
203.07164	18.3
205.05069	11.3
212.04773	0.7
217.05203	0.2
217.08707	0.8
221.08208	4.8
225.05670	0.2
227.07185	3.5
229.04953	0.2
230.05815	1.2
231.02994	0.8
244.19595	0.2
245.08205	23.6
246.08447	0.3
247.06133	1.9
253.43997	0.2
271.06143	0.9
289.07208	100.0
290.07477	1.3
354.28430	0.2
434.54095	0.2
578.14276	0.4
593.31781	0.2
853.45447	0.2
867.17670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.533
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42731	1.8
71.01372	3.5
76.57069	2.6
78.56351	2.1
84.49207	2.3
89.02457	3.8
95.41202	2.6
98.86633	2.1
100.98470	2.3
101.02452	3.9
116.92810	3.2
149.18184	2.2
165.12805	4.7
179.14519	4.5
180.92287	2.3
184.73334	2.1
193.15965	2.5
197.96564	2.1
247.20644	4.9
253.09282	8.9
273.18683	3.2
277.21771	92.1
291.19693	99.8
309.20773	100.0
395.94711	2.7
527.27808	3.3
865.47736	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	865.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	4.4
63.33990	1.7
88.28395	1.8
89.02456	2.3
91.49085	2.1
101.02456	3.1
111.08153	2.9
116.92884	7.3
197.11858	28.7
211.13284	3.6
225.15225	2.1
235.08235	4.3
235.11079	1.6
253.09332	13.1
257.39102	2.0
277.21759	100.0
277.56372	1.9
291.19711	15.1
309.20721	30.0
407.26019	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02137	0.2
63.02425	0.9
65.00339	0.8
68.77497	0.1
83.00957	0.1
83.01369	1.1
85.02956	0.2
89.02441	0.6
90.46343	0.1
106.71868	0.1
107.01392	2.7
109.02937	0.2
121.02947	0.2
124.01693	0.3
125.02457	0.9
132.02167	0.1
133.02943	2.9
134.03748	0.9
135.00807	0.2
135.04549	0.3
148.01602	0.2
149.02458	1.4
150.03319	0.2
151.00378	6.8
151.04033	0.2
152.01169	5.3
169.01448	0.8
169.06619	0.2
175.03996	1.1
177.01941	0.2
178.99898	4.3
179.10773	0.3
183.41209	0.2
185.06056	0.3
187.04082	0.3
188.04692	0.2
197.06151	0.2
199.04022	1.2
200.04758	0.2
201.01990	0.3
211.03943	1.1
212.04825	0.3
213.05542	0.2
215.03557	0.4
217.05049	0.9
223.09709	0.3
227.03529	0.9
232.17082	0.2
241.05144	0.8
243.02983	0.4
255.03015	0.9
256.03763	3.3
257.04462	0.3
259.06134	0.3
269.04657	2.5
271.02478	0.7
283.02505	0.6
284.03305	56.1
285.04080	100.0
286.04453	1.9
297.04120	0.2
300.02762	1.7
301.03644	0.7
320.43842	0.2
327.05167	1.2
403.15958	0.3
419.09927	5.6
447.09421	77.2
448.09747	1.4
463.08929	1.2
750.20441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.0
69.07034	0.8
83.05048	1.2
96.99312	5.4
115.43228	0.8
116.92851	1.2
141.01706	100.0
145.61784	0.9
163.11282	1.6
209.11858	32.7
227.12804	3.3
231.10001	7.6
235.08040	0.9
239.51364	0.8
249.11012	4.5
277.21756	21.2
359.22238	4.8
443.80139	0.9
445.20932	1.5
509.32764	1.7
581.09259	0.9
590.71808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64844	1.7
61.98854	2.7
70.22383	1.6
96.99354	2.9
116.92825	2.6
127.31386	1.7
141.01711	100.0
172.96133	1.8
204.54539	1.8
206.93506	1.7
209.11850	26.7
227.12848	1.8
231.10081	3.8
275.06500	2.3
277.21722	32.2
311.28519	2.0
359.22061	2.1
445.20966	2.2
489.46899	2.1
509.32486	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	865.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	0.9
83.01412	3.5
93.03465	1.0
95.05066	0.8
97.02944	0.8
100.74198	0.5
107.05033	0.8
109.02955	14.9
117.03516	0.7
121.02970	2.6
122.03764	0.9
123.04514	8.6
125.02445	100.0
131.05029	1.3
133.02983	6.2
135.04555	2.2
137.02434	14.2
139.04056	2.6
145.03012	1.0
147.04503	1.2
149.02432	5.8
150.03291	0.7
151.04002	13.8
159.04564	3.1
161.02454	32.9
161.06055	1.1
162.03191	2.6
163.00424	3.9
163.04012	4.4
164.01122	8.1
165.01927	6.1
167.03481	2.3
173.06058	0.9
175.04008	18.5
176.01190	1.1
177.01947	13.1
177.05559	1.1
179.03519	2.8
183.04480	0.7
187.04016	5.3
188.04788	1.4
189.01952	2.5
189.05782	0.7
191.03563	0.9
199.04021	4.8
201.01999	0.8
201.05627	3.5
202.06410	0.8
203.03531	2.9
203.07204	5.6
205.01526	1.3
205.05168	5.3
211.04034	0.9
212.08200	0.6
213.05620	1.0
214.02734	1.1
215.03505	0.9
215.07230	0.6
217.05057	8.9
219.02985	5.0
225.05733	0.8
226.06300	0.8
227.03461	2.6
229.05072	3.6
231.03053	1.3
241.05171	0.8
243.03014	18.7
243.06651	1.1
245.04555	9.1
245.08269	6.6
247.06203	0.8
253.05025	1.3
255.03055	9.2
256.03836	3.0
257.01675	0.6
257.04599	2.8
261.04001	4.1
269.04575	3.3
271.05994	0.8
273.04178	1.3
281.04666	2.3
283.02585	2.2
285.04169	2.7
287.05676	18.5
287.08823	0.9
289.07257	17.3
295.02802	0.6
297.03882	0.9
299.05780	2.1
339.08884	2.3
355.38647	0.6
355.43100	0.6
387.05338	0.6
405.06174	3.6
407.07706	19.8
409.70929	0.6
413.08899	4.8
423.07281	3.3
425.08841	7.7
449.08792	5.0
451.10504	6.3
525.08350	2.3
543.09357	3.0
559.11102	0.7
561.10272	0.8
569.10980	0.7
575.12250	4.3
577.13751	7.1
587.12091	2.2
695.14148	4.8
713.15613	2.3
739.16455	1.0
865.19037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99345	0.5
81.03482	0.7
83.01411	2.8
92.10779	0.5
93.03455	1.2
95.01378	0.7
97.02956	2.2
107.05058	1.2
109.02959	12.0
120.02123	0.5
121.02979	3.3
121.91730	0.5
122.03739	0.6
123.04535	9.2
125.02453	100.0
126.02760	1.1
130.06387	0.7
131.05034	1.1
133.02991	4.7
135.04518	2.4
137.02448	16.5
138.05573	0.8
139.04034	2.5
145.02966	1.1
147.04547	1.2
149.02451	4.5
150.03302	0.6
151.04010	12.8
159.04536	2.2
161.02463	35.6
161.06073	2.5
162.03117	2.3
163.00383	3.0
163.04036	3.8
164.01155	5.6
165.01939	6.4
167.03535	2.1
173.02364	0.6
173.06073	0.7
174.03264	0.7
175.04022	15.0
176.01198	0.6
177.01968	11.9
177.05602	0.9
179.03519	2.1
185.06068	0.6
187.03967	5.5
188.04834	0.8
189.01936	2.3
189.05574	0.6
191.03615	0.7
199.04097	3.7
201.02087	0.7
201.05580	2.6
202.06422	0.6
203.03590	3.9
203.07167	4.5
205.01439	1.1
205.05098	4.6
211.04120	2.0
212.04790	0.6
213.05627	0.9
215.03551	0.9
217.05128	7.8
219.03018	4.0
219.06694	0.9
225.05661	0.7
227.03581	2.0
227.07190	0.8
228.04343	0.9
229.05040	3.6
231.02988	2.6
237.05510	0.6
241.05040	0.7
243.03008	19.2
243.06639	1.1
244.03764	0.6
245.04591	8.9
245.08235	6.5
247.06213	0.8
253.04987	0.7
255.03032	8.6
256.03802	3.8
257.04504	2.2
261.03949	3.9
269.04556	3.6
271.06131	0.7
273.04004	1.0
281.04559	2.8
282.01886	0.6
283.02502	2.1
285.04199	3.8
287.05655	16.4
289.07220	14.6
295.06186	0.6
299.05746	2.4
339.08704	1.3
341.06662	2.0
383.07501	0.7
395.07486	0.6
405.06332	3.4
407.07834	17.8
407.55368	0.5
413.08896	6.3
417.06543	0.5
423.07346	3.1
425.08878	7.2
449.08926	4.1
451.10431	5.2
525.08264	1.0
543.09637	2.8
557.12433	0.5
561.10968	1.8
575.12262	4.4
577.13641	7.9
587.12024	1.0
695.14056	5.0
713.15387	2.6
739.17010	0.9
865.20056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06032	0.4
68.78430	0.4
81.03453	2.4
83.01391	4.5
89.02424	0.7
89.04536	0.4
93.03456	2.4
95.01368	0.8
95.04991	1.1
97.02954	2.2
100.83957	0.4
101.02423	0.5
105.03464	0.6
107.05037	1.1
107.24171	0.5
108.02193	0.5
109.02952	14.2
117.03516	0.5
119.05042	0.6
121.02956	2.8
122.03757	0.9
123.04520	10.0
125.02436	100.0
126.02779	0.8
131.05009	1.9
133.02950	5.7
135.04520	3.0
137.02446	18.1
139.03989	2.1
143.05067	0.6
145.02963	0.6
147.04524	1.9
149.02448	5.7
149.06029	0.8
150.03197	1.0
151.04013	15.6
155.05139	0.6
159.04530	3.8
159.08311	0.5
160.05334	0.5
161.02440	36.3
161.06091	3.0
162.03148	2.0
163.00327	3.5
163.03996	5.1
164.01152	8.8
165.01942	6.7
167.03487	2.2
171.04507	0.6
173.02364	0.6
173.06137	1.0
174.03278	1.1
175.02501	1.0
175.04013	23.2
175.07561	0.9
176.01137	1.8
177.01932	14.4
177.05577	2.0
179.03503	3.9
183.04575	0.6
185.06032	0.7
187.04027	6.3
187.20441	0.6
188.04810	2.1
189.01913	2.7
189.05569	1.0
190.02837	1.6
191.03529	2.0
193.05103	0.6
199.04022	4.5
201.01894	0.8
201.05574	2.8
202.06352	0.8
203.03481	4.6
203.07149	5.7
205.01500	1.0
205.05078	5.1
211.04028	2.0
213.05580	1.9
214.02834	1.1
215.03552	3.0
215.07126	0.5
217.01634	0.6
217.05040	9.2
219.03046	4.3
219.06543	1.8
221.08224	1.1
225.05502	1.9
227.03528	2.1
227.07210	0.9
228.04163	0.8
229.05153	4.7
231.02979	2.5
241.05066	1.8
243.02989	21.1
243.06670	1.0
244.03566	0.7
245.04552	10.9
245.08212	7.5
253.05237	0.9
255.02991	10.0
255.39842	0.5
256.03711	3.9
257.04648	2.1
261.04010	6.9
263.07056	0.5
269.04630	4.0
271.06128	1.0
273.04105	2.9
281.04520	4.3
282.01996	0.5
283.02539	2.5
285.04050	2.7
287.05621	17.8
288.02829	0.8
288.06192	0.5
289.07211	20.7
293.04562	0.8
297.07599	0.5
299.05789	4.2
299.08569	0.5
315.08783	0.6
323.05356	0.6
328.93655	0.5
329.06946	0.6
335.05588	0.6
339.08768	1.9
341.06824	0.8
381.09851	0.8
387.05417	0.7
391.04532	0.6
405.06110	3.8
407.07690	22.8
413.08960	5.1
417.06393	0.9
423.07285	3.8
425.08829	7.7
433.84027	0.5
435.07352	0.6
449.08636	5.3
451.10324	5.7
457.09308	0.6
472.77405	0.5
525.08307	2.6
533.11072	0.7
543.09363	4.0
561.10138	1.0
569.10962	2.2
575.12054	4.7
577.13501	8.4
587.11951	2.7
613.13684	0.5
614.63361	0.6
635.55994	0.5
695.14404	6.1
713.15271	2.0
739.16986	2.1
865.20319	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	861.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.8
68.28843	0.7
70.84263	0.5
71.17600	0.5
75.20578	0.6
87.11015	0.5
92.96367	0.6
96.96011	2.5
104.57391	0.6
107.01392	2.6
109.02992	0.9
117.03462	0.8
118.00334	0.6
121.02914	1.4
147.04510	4.2
148.01683	0.7
151.00372	12.4
163.00386	2.8
163.83299	0.6
165.05579	1.5
169.01341	0.7
173.02441	0.8
175.00308	0.7
178.99869	6.3
215.03500	0.9
227.03508	1.3
243.02998	8.2
245.04491	1.1
251.09612	1.3
254.02155	3.2
255.02994	23.6
271.02487	53.5
272.03183	1.1
283.02454	1.0
283.11746	0.7
293.04581	27.3
294.05093	1.4
300.02753	100.0
301.03528	35.5
311.05627	2.5
343.04489	0.8
373.03970	0.6
413.08932	4.4
568.78760	0.9
577.15643	12.3
579.15881	0.9
609.14679	83.5
610.14996	2.9
640.90826	0.8
839.63776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.3
69.03464	0.2
69.19682	0.0
69.37672	0.0
71.01379	0.5
73.02961	0.2
79.01922	0.0
81.03463	0.1
83.05045	0.2
84.19019	0.0
85.02954	6.0
87.00874	1.4
93.03455	3.1
99.00880	0.1
99.04523	0.2
109.02963	0.7
111.00887	0.0
111.04526	1.1
113.02520	0.1
117.03473	0.2
119.05029	1.0
125.02419	0.0
127.04018	1.7
129.01947	0.1
137.02495	0.1
143.03531	0.1
145.02965	0.9
145.05011	0.1
155.03491	0.2
163.04016	1.2
163.05379	0.1
171.03012	0.5
173.04562	1.6
181.61455	0.0
191.05635	100.0
192.06009	0.6
337.09351	16.2
338.09839	0.2
600.17334	0.0
623.30304	0.0
814.76770	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.5
67.30981	0.4
68.34608	0.4
69.03458	1.5
71.01382	18.0
71.47949	0.4
72.99310	0.9
73.02938	3.3
78.95872	0.3
80.02695	0.9
81.03466	2.4
83.01390	1.9
83.05019	5.9
84.02187	0.9
85.02527	0.4
85.02940	3.5
86.00118	0.4
87.00864	3.6
89.02438	16.7
95.01397	2.0
95.05006	0.5
96.94360	0.3
97.02939	3.5
99.00903	0.6
101.02446	13.9
102.00990	0.4
105.38029	0.4
113.02448	8.3
116.92870	0.8
119.03501	4.2
119.37888	0.4
125.02441	6.1
131.03487	0.7
135.08133	0.9
139.03999	0.6
141.01732	0.9
143.03522	1.8
161.04623	3.5
163.11261	4.3
165.12856	3.5
169.05089	0.5
179.05640	2.1
181.12399	0.6
181.69589	0.4
185.51469	0.4
191.10857	1.7
209.11861	100.0
217.07211	0.9
221.06709	1.6
227.12900	9.6
235.08189	4.3
255.23314	65.8
256.23578	0.8
259.08337	0.4
287.07788	1.7
305.08841	1.8
323.09811	0.7
370.21292	0.4
379.12448	6.7
397.13559	36.4
415.14655	7.9
607.26233	0.5
608.99957	0.5
653.37909	1.9
832.26764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03986	1.0
69.03489	0.9
71.01391	20.3
71.05055	0.7
73.02954	25.5
73.03354	1.0
81.03474	3.3
83.05038	9.8
85.02956	7.1
87.00909	0.8
89.02445	34.4
93.03459	67.3
95.01404	0.7
99.00891	8.7
99.04508	10.3
101.02452	12.3
109.02959	0.9
111.04527	28.5
113.02447	12.4
119.03490	15.7
129.01941	4.5
129.05557	1.0
131.03502	1.2
137.02446	23.8
143.03506	8.2
149.04553	0.7
155.03514	17.1
161.04572	4.1
173.04553	100.0
179.05652	11.1
210.26797	0.8
246.58299	0.6
341.10913	94.3
515.16229	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89154	6.8
70.91354	6.7
72.17714	6.5
82.95435	17.8
83.43717	8.3
84.00904	100.0
106.17304	6.6
146.51520	7.4
155.11530	7.3
159.55190	8.5
161.67099	7.5
169.72008	8.1
217.43257	9.5
277.21765	72.4
335.01010	9.7
615.34344	8.4
798.34552	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	859.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99706	1.6
71.01379	51.0
72.99304	4.3
81.07092	2.9
83.01405	2.4
85.02951	15.5
89.02436	54.6
93.21823	2.0
95.01391	3.8
99.04514	57.4
100.72449	1.5
101.02431	29.0
111.04539	11.2
113.02462	20.3
119.03466	15.2
125.02417	2.3
127.26495	1.6
140.20673	1.6
153.48355	1.7
153.81073	1.9
161.13368	30.3
163.08585	1.7
179.05582	6.5
187.11319	3.8
191.05589	4.1
205.12372	48.2
249.11298	30.7
367.26297	12.1
411.25458	3.7
429.17667	37.4
455.24582	10.2
499.23645	25.2
635.30688	3.4
679.29645	67.1
680.30353	2.3
738.82684	2.0
859.19318	3.1
859.36084	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	859.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	41.8
72.99287	3.4
73.02950	1.4
81.07084	1.3
82.99196	0.9
83.01407	2.0
83.05000	1.0
85.02928	10.5
85.77594	0.9
89.02426	47.1
95.01385	4.0
95.05015	0.9
98.57015	0.9
99.04496	21.2
101.02419	22.3
111.04515	5.1
113.02443	14.9
119.03473	18.3
119.04982	1.8
131.03569	1.2
135.11852	1.3
153.54869	1.2
161.04539	1.0
161.13344	28.2
163.03990	1.8
179.05589	6.4
187.11243	5.6
205.12321	53.7
249.11305	56.3
257.40201	1.0
273.34943	1.0
367.26373	5.0
385.18481	1.7
411.25497	1.7
415.97583	1.3
429.17624	100.0
455.24579	3.7
499.23358	8.3
520.07086	1.1
679.29803	20.6
697.30481	1.2
746.78894	1.0
859.36108	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	1.6
65.00322	16.3
71.01376	0.8
71.88381	0.3
73.78091	0.3
76.37196	0.3
83.01382	7.4
87.00861	0.4
89.02410	0.4
90.07240	0.3
101.02451	0.5
107.01390	30.1
108.79228	0.4
109.02991	0.7
121.02912	0.5
122.03745	0.5
123.01015	0.4
123.04520	11.0
124.01628	0.6
125.02444	12.0
133.02940	4.5
135.04529	3.0
147.04457	0.5
149.02475	2.7
150.03220	10.2
150.04352	0.5
151.00375	100.0
151.03999	28.0
152.01155	6.4
152.04298	0.7
169.01506	3.0
171.04494	0.6
174.03192	0.5
175.03987	2.9
176.01178	1.8
177.01945	2.0
178.99879	9.1
185.06058	0.7
187.04053	0.5
189.05608	0.5
199.04008	2.8
201.02075	0.5
213.05544	1.7
215.03517	0.7
217.05055	1.4
229.04993	0.8
240.04272	0.4
241.05103	2.3
243.02870	0.4
257.04568	1.5
285.04065	60.2
286.04410	3.5
287.04605	0.7
303.05054	1.6
339.07297	1.8
456.86758	0.4
465.10422	59.9
466.10797	2.8
467.11237	1.4
739.49060	0.4
792.15778	0.4
832.53052	0.4
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
60.99309	0.8
67.01897	4.4
69.03458	1.2
71.01382	3.8
75.98260	0.2
79.33677	0.1
81.03443	1.0
83.05030	1.2
85.02946	1.6
86.34630	0.1
87.00887	1.4
89.02452	0.6
90.01249	0.1
93.03455	30.1
97.02902	0.2
99.04523	0.3
100.06354	0.1
109.02950	1.2
111.00893	0.7
111.04524	6.5
113.02436	0.3
119.05026	17.3
125.02378	0.2
127.04015	1.1
129.01950	0.3
131.03491	0.2
137.02441	5.5
141.90924	0.1
143.04990	0.2
149.04616	0.2
155.03511	4.6
163.04024	18.9
164.47295	0.1
165.05699	0.2
173.04561	100.0
174.04926	0.5
174.98296	0.2
187.15776	0.1
191.05641	19.1
204.50111	0.1
211.07678	1.1
228.07146	0.6
237.09238	0.6
253.08685	0.2
265.08789	0.3
327.08734	0.7
337.09360	35.3
337.59549	0.3
338.09708	0.3
488.33649	0.2
507.35745	0.2
675.19073	0.2
677.80530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23653	0.2
71.01392	12.9
71.01780	0.6
72.99319	0.6
73.02959	1.0
83.01406	0.6
83.05048	0.3
85.02969	3.3
87.00885	0.5
89.02455	13.6
94.19653	0.2
95.01383	1.2
97.87043	0.2
99.04525	8.2
101.02449	7.9
107.01369	0.4
109.06592	0.6
113.02464	5.2
115.90170	0.3
119.03511	5.5
121.06566	0.3
125.02435	0.3
139.11314	5.2
144.97006	0.3
150.03215	0.4
151.00356	1.5
158.26707	0.3
163.11290	0.6
165.12852	4.4
181.12337	3.4
183.10289	6.4
189.12885	1.3
191.05693	0.4
199.13361	1.6
207.13930	11.8
209.11868	29.3
225.11595	2.1
225.14984	10.8
227.12877	2.5
243.12408	21.0
243.14478	0.3
251.12950	7.9
269.13986	51.3
276.94702	0.3
285.04120	0.4
287.15048	5.3
300.02856	0.6
340.98206	0.3
377.24164	0.3
405.17743	6.2
449.20364	100.0
450.20670	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	851.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
63.02397	0.3
65.00327	0.5
72.62291	0.2
82.33792	0.3
83.01367	0.4
89.02449	0.3
93.26633	0.3
107.01399	1.2
109.02962	0.3
123.00883	0.3
125.02437	0.5
133.02930	2.9
149.02463	0.6
151.00349	4.5
152.01132	1.6
175.03952	1.4
178.99876	2.0
199.04060	1.7
209.66345	0.3
211.03999	0.4
223.09857	0.4
227.03470	0.5
241.05019	0.4
255.02931	0.5
256.03775	3.0
269.04593	1.4
284.03299	53.5
285.04083	100.0
286.04465	1.2
297.04181	0.3
327.05261	1.3
349.99445	0.4
419.10229	2.4
447.09424	74.6
448.09729	1.8
623.82483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.7
69.03462	0.9
71.01379	84.8
72.99304	1.0
73.02945	6.9
75.73983	0.6
80.02686	1.4
81.03471	3.9
83.01392	3.6
83.05020	8.2
84.02180	1.5
84.58826	0.7
85.02964	6.6
87.00856	4.5
87.38676	0.6
88.75941	0.6
89.02438	16.7
92.10076	1.2
95.01389	1.5
95.05040	3.1
97.02943	6.6
99.00876	1.6
100.55238	0.5
101.02431	14.8
105.91519	0.8
109.06593	13.1
110.03755	0.9
111.04486	0.8
113.02457	8.1
119.03511	3.3
121.06579	1.0
125.02454	6.9
125.06077	1.3
125.09724	2.7
127.11232	1.3
130.33292	0.7
133.05002	0.7
135.08179	3.8
136.05270	1.3
139.04097	0.7
143.03488	2.4
155.10779	2.3
161.04549	4.0
161.09708	2.4
163.11292	17.3
165.09181	2.8
165.12857	3.7
171.10271	20.8
179.05591	2.7
179.10753	0.8
181.12338	6.0
185.11836	2.5
189.09242	1.1
191.10771	0.9
201.11359	11.4
207.10280	38.8
209.11855	100.0
215.12933	1.2
221.06616	3.5
225.11339	29.9
227.12889	7.2
235.08315	5.0
243.12375	1.5
275.80832	0.6
287.08017	0.9
379.12445	1.3
397.13547	19.7
399.22235	1.1
415.14709	7.5
417.22913	1.5
444.43805	0.7
482.18225	0.7
512.31915	0.7
605.24603	2.2
623.25732	5.2
722.23438	0.7
771.32990	0.8
797.36432	1.2
815.37085	2.6
833.38043	5.6
834.39063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58999	22.0
71.41320	26.8
72.86709	22.4
92.25636	21.3
116.92839	100.0
133.06812	23.2
183.41734	26.0
262.13126	24.9
282.86737	29.7
309.20663	31.4
465.40308	25.5
468.81268	28.9
509.78857	26.9
577.31317	28.9
629.47113	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.5
63.00865	1.7
68.99812	2.2
69.03462	2.8
78.31988	1.7
81.03474	7.5
81.54408	1.6
83.01412	9.8
92.10078	3.8
93.93700	2.0
95.01398	1.8
95.05051	8.7
97.02958	11.6
102.50798	1.8
107.05058	2.2
108.02184	2.1
109.02962	35.3
121.02953	13.3
122.03751	2.7
123.04547	34.4
125.02451	100.0
135.00926	4.0
135.04494	2.7
137.02443	49.2
139.04097	7.6
145.02895	2.6
149.02452	11.0
150.03198	2.2
151.04039	19.0
159.04427	3.9
161.02477	3.5
161.06084	9.3
163.00375	36.3
163.03989	3.3
164.01163	21.4
165.01945	19.9
167.03526	4.8
173.06104	3.0
175.04033	12.3
175.07646	2.8
175.13402	2.2
177.01909	13.3
177.05603	2.2
179.03508	10.0
183.04446	3.2
183.10335	2.4
185.06079	10.4
187.04039	11.4
188.04724	7.4
189.01820	3.7
189.05643	2.6
195.04620	2.3
197.06116	3.3
199.04060	3.9
201.05624	12.5
202.06413	2.7
203.07147	19.8
205.01448	3.1
205.05040	17.5
211.04051	6.7
212.04858	4.3
213.05635	19.6
214.02826	2.3
215.03586	7.3
217.05113	4.5
221.08217	2.5
223.04034	4.8
225.05518	4.5
226.02800	3.2
227.03653	14.5
228.04257	2.9
229.05029	10.8
230.05695	2.7
231.02907	3.2
231.06601	3.4
237.05530	2.5
239.03496	2.7
240.04262	7.9
241.05099	64.1
243.02968	3.8
243.12386	3.8
245.08206	22.2
251.03523	12.5
253.05074	12.4
255.03036	19.1
256.03845	4.7
257.04568	21.6
263.03867	2.4
263.07169	3.7
265.05029	4.0
267.02985	2.3
267.06693	3.2
268.03851	4.0
269.01852	3.5
269.04602	62.8
271.02371	3.3
271.06177	2.9
277.05161	2.4
278.05869	2.8
279.02982	17.4
279.06302	4.1
281.04639	18.9
289.07236	96.2
289.10541	3.4
291.03125	2.5
291.06564	3.1
293.04828	2.2
297.04059	53.5
300.02805	10.1
303.06668	3.0
307.06125	8.0
309.03998	14.7
319.06152	3.5
321.07507	3.9
329.04526	3.4
330.05200	2.8
331.05881	3.4
335.05634	3.0
346.04999	3.5
347.05591	7.2
349.07199	3.4
351.05133	2.3
358.28479	2.1
359.05722	3.8
361.07266	4.0
365.06830	2.9
373.07205	3.0
375.05145	15.2
387.05060	2.9
389.06912	2.7
393.06171	9.9
395.07626	2.2
405.06253	7.3
405.17798	2.9
407.07806	16.8
417.06146	7.6
423.07159	9.6
425.08905	4.3
435.07260	82.7
463.08945	2.7
543.09070	3.6
561.10345	43.6
699.13898	3.7
725.14459	2.3
851.18152	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	841.37
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92670	0.3
64.34295	0.3
73.02963	0.5
78.58072	0.3
99.92580	7.1
102.38110	0.3
107.98365	0.3
114.93391	0.3
116.92857	100.0
116.97228	3.2
117.01945	0.6
117.92842	0.6
124.13392	0.3
185.62532	0.3
247.49753	0.3
277.11679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09462	2.2
61.98846	2.7
71.01401	9.4
74.49812	2.0
74.53168	2.2
78.98598	4.5
79.95755	14.4
80.96519	100.0
85.02944	2.0
94.98112	17.6
98.49252	2.0
106.98116	3.5
109.88929	2.2
122.97579	3.3
125.02486	3.4
134.97583	8.6
141.54318	2.2
148.99147	9.9
164.98643	17.6
206.99524	3.1
225.00787	18.4
240.30618	2.6
286.84729	2.8
293.17896	2.7
789.80353	2.4
839.49976	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	24.1
60.52803	0.2
60.99345	0.2
65.00342	1.5
67.92520	0.2
71.01396	0.5
73.02935	1.8
82.84200	0.2
83.01384	1.6
85.02972	1.0
87.00911	0.3
89.02474	0.5
89.90237	0.2
95.01411	0.2
95.05026	0.2
101.02446	0.5
101.24680	0.2
107.01421	2.2
113.02458	0.9
114.18430	0.3
123.04521	0.9
125.02455	9.5
129.05580	0.5
133.02852	0.3
137.09778	0.3
139.03949	0.2
139.11298	23.6
149.02473	0.4
150.03279	1.5
151.00388	7.1
151.04007	2.4
152.01173	1.9
153.01938	1.1
155.10712	0.3
163.11295	1.0
165.09180	0.9
175.03983	1.9
177.01913	1.9
178.99902	2.1
181.12355	14.9
183.10272	31.7
189.05630	0.2
199.04057	1.3
199.11690	0.5
199.13431	9.7
206.32207	0.2
207.10294	0.5
217.05104	1.5
217.23174	0.2
222.06969	0.2
225.11354	9.8
241.05074	0.5
243.12389	100.0
244.12762	1.3
249.11400	1.0
275.05609	1.0
285.04092	7.5
285.13385	1.9
300.03000	0.5
303.05106	3.7
345.15469	0.3
350.36557	0.3
405.17703	37.4
406.17963	0.5
435.09247	2.6
435.29581	0.5
569.79187	0.3
745.28021	0.2
757.66241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59447	0.3
59.01382	41.4
61.67911	0.3
63.02412	0.5
65.00327	17.0
71.01371	4.9
73.02934	0.6
73.11550	0.3
83.01385	8.9
83.05042	0.4
85.02962	1.7
87.00877	1.4
89.02438	4.2
92.83607	0.3
95.01386	0.5
101.02448	2.1
103.10001	0.3
107.01392	28.7
108.02184	1.7
108.99336	0.5
109.02959	3.6
111.00906	0.4
113.02449	1.7
114.06666	0.3
117.09312	0.3
119.03511	1.4
119.08678	1.4
120.94524	0.3
121.03006	0.6
121.06618	0.4
123.00916	0.4
123.04523	8.0
124.01667	2.4
125.02441	19.9
133.02954	4.3
133.10219	0.5
135.04543	2.8
135.08180	0.7
135.11765	0.4
137.09712	5.2
139.00354	0.5
147.04428	0.4
149.02428	2.8
150.03227	20.5
151.00378	100.0
151.04001	25.6
151.11247	0.3
152.01164	19.9
153.01942	2.4
161.09714	2.6
163.07599	0.7
169.01414	2.2
171.04500	1.4
173.06067	0.5
174.03186	0.4
175.04042	4.0
176.01089	1.5
177.01956	3.5
178.99872	14.9
179.10808	2.3
181.08701	8.7
185.06049	0.8
187.04105	0.3
189.05556	1.3
193.05072	0.5
197.11844	36.0
198.03166	0.4
198.12239	0.4
199.04070	3.6
201.01968	0.8
211.03870	0.4
213.05611	1.5
215.03651	0.6
217.05063	2.9
223.09735	3.1
229.05011	0.7
241.05440	2.8
241.10831	60.3
243.03035	0.4
257.04526	1.8
259.06189	0.6
263.43698	0.4
267.02972	0.5
275.05716	0.7
283.08270	2.0
283.11594	0.6
285.04071	52.6
286.04514	0.6
302.04474	0.5
303.05115	11.1
309.06165	2.4
315.07361	0.5
328.38297	0.3
400.84167	0.3
403.08087	3.8
403.16116	40.0
404.16446	0.4
435.09381	45.2
559.74878	0.4
698.04028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.4
63.02411	1.5
65.00333	16.1
67.45691	0.3
68.41639	0.4
71.01396	3.8
72.99325	0.4
83.01407	7.2
83.09644	0.3
85.02979	1.5
89.02442	4.3
94.03033	0.5
95.01386	0.8
99.04522	0.5
101.02457	1.9
107.01398	25.4
109.02972	0.6
111.00908	0.5
113.02450	1.8
119.03526	0.6
120.43066	0.5
121.02991	0.6
123.04532	7.4
124.01691	2.6
125.02448	19.2
133.02950	3.4
133.29417	0.4
134.06128	0.6
135.04547	2.4
147.04460	0.5
149.02466	3.4
149.74100	0.4
150.03239	17.0
151.00386	100.0
151.04004	23.0
152.01163	15.8
152.62799	0.4
153.01961	0.9
161.04669	0.4
169.01430	3.0
169.14911	0.4
174.03250	0.5
175.04019	3.6
176.01167	1.4
177.01929	3.6
178.99869	15.9
179.05611	0.5
179.10759	3.3
180.00552	0.5
185.06108	0.6
189.05626	0.8
197.06158	0.4
197.07997	0.4
198.03305	0.5
199.04050	3.4
200.00381	0.4
201.02014	0.7
213.05637	0.7
215.03561	0.4
217.05095	2.3
219.02908	0.4
219.53700	0.4
223.09770	6.9
229.05052	0.6
241.05077	3.0
241.10779	0.6
257.04602	0.9
259.06055	0.5
262.37003	0.4
275.05576	0.6
279.11325	0.4
283.08322	2.4
284.03281	2.7
285.04080	61.3
286.04501	0.8
302.04510	0.6
303.05130	16.4
309.06134	3.1
353.71555	0.4
396.70645	0.4
403.16180	5.0
417.08435	0.6
435.09372	57.9
436.09732	1.7
444.79694	0.4
447.09402	2.0
839.33752	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	839.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	66.5
59.54634	1.8
71.01385	34.0
72.99307	3.0
79.51923	2.1
85.02962	10.0
89.02456	30.0
94.02990	29.8
101.01904	2.6
101.02431	22.8
106.06641	12.0
106.62429	2.3
110.54830	2.6
113.02477	11.7
114.39460	2.8
119.03488	9.0
120.08195	27.4
122.06145	9.5
125.02449	2.4
132.04582	2.5
134.06134	55.2
138.05608	12.4
150.05627	3.4
152.07179	15.3
160.04062	2.7
181.12321	4.3
183.10159	2.2
186.84053	2.4
190.05075	13.0
205.36926	2.1
221.10780	2.8
223.08792	10.1
225.11284	4.7
237.10358	10.2
238.11069	2.3
239.11902	13.1
243.02942	2.5
243.12503	8.2
249.06717	3.0
251.08307	5.4
251.11922	11.4
255.03067	8.1
263.08273	14.1
264.09097	20.3
265.09833	17.8
271.02539	13.5
277.09842	15.7
278.10468	4.3
278.21460	2.3
279.11453	39.9
280.12112	11.2
281.13013	5.1
291.11472	17.9
292.12207	9.9
293.13113	3.1
300.02899	33.8
301.03525	5.3
303.13733	2.9
305.09338	4.5
307.10922	3.4
314.12631	2.5
324.11310	5.4
337.12021	3.1
376.16925	2.3
384.17523	4.8
386.19052	2.6
405.17746	11.3
426.18338	4.2
433.07748	22.6
443.18896	2.4
444.19284	10.3
462.20380	3.0
471.17905	3.3
472.18939	8.7
473.19684	4.1
490.20044	14.1
623.24902	2.8
642.42358	2.3
650.23621	3.8
651.24402	10.8
682.25977	10.8
747.28827	22.6
779.31830	32.2
789.29718	13.5
807.31097	100.0
821.33356	4.1
839.33746	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
59.82460	0.9
63.96230	1.8
71.01384	12.5
71.10592	1.0
73.02951	1.5
78.98603	8.8
79.95741	16.7
80.96513	100.0
85.02961	4.4
87.00883	3.7
92.10116	1.8
94.98068	24.6
97.02947	1.3
101.02457	2.2
106.98096	2.1
116.92863	1.6
122.97569	2.3
125.02441	4.4
127.04024	1.1
134.97569	7.4
136.99158	3.6
148.99162	9.8
152.98633	10.5
164.98633	20.6
173.80614	1.0
206.99675	3.8
225.00781	27.5
250.19847	1.2
252.70123	1.1
277.21783	2.1
559.25848	2.1
790.08575	1.3
837.48358	86.9
838.48761	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	835.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	5.0
71.01384	2.2
83.05067	0.9
85.02966	2.3
87.00891	4.3
89.02456	1.9
97.06599	1.0
101.02433	1.6
111.04523	1.9
113.02435	1.8
121.06613	4.8
122.03728	3.5
123.08169	1.9
135.04510	1.6
135.08183	2.4
136.05295	100.0
137.06061	1.8
137.09698	1.2
147.08177	4.0
148.05319	5.2
149.06087	22.0
150.03236	4.2
150.06839	7.0
151.07689	2.2
153.09227	1.3
162.06868	2.3
163.07611	6.9
164.04787	1.4
164.08409	6.9
165.05556	4.1
165.09204	75.8
179.07170	1.3
213.75572	0.9
217.10832	1.5
321.20844	1.5
345.22922	14.0
359.75327	1.0
437.29248	1.3
447.09967	1.2
450.29843	1.5
464.31375	8.3
465.32288	44.4
491.30109	1.7
492.31232	1.7
493.32071	7.2
493.49661	1.2
510.32108	8.8
511.32813	49.5
673.38031	15.4
770.11719	1.0
835.43402	99.5
836.43298	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	836.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
61.98840	100.0
64.04585	0.2
71.16627	0.2
80.24685	0.3
83.89300	0.2
84.07928	0.2
115.63717	0.3
116.41858	0.2
121.85079	0.3
123.91418	0.2
225.50006	0.3
274.38531	0.3
277.21851	1.3
278.21970	2.0
279.22418	0.4
348.25543	0.3
349.76273	0.3
549.55035	0.3
568.09192	0.3
663.24054	0.3
772.14215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20888	1.2
59.01387	48.3
61.78180	1.1
65.31625	1.2
71.01385	17.2
80.05073	1.6
83.01407	1.9
83.68664	1.4
85.02960	3.2
89.02455	14.9
96.96987	2.1
99.00832	1.7
101.02428	9.6
101.22545	1.8
104.31970	1.3
106.06629	10.2
108.04554	2.6
113.02448	3.3
119.03503	2.9
120.08229	1.6
122.06107	6.1
124.04022	2.8
134.06110	31.6
136.04022	11.8
136.18431	1.3
137.02437	3.0
138.05591	2.6
147.05638	2.0
150.03279	1.7
150.05605	7.5
152.07178	5.8
158.06009	1.6
160.04018	2.2
165.01944	34.2
168.06613	1.9
174.05602	1.4
175.05142	1.4
179.03485	13.2
179.06990	2.0
180.04285	24.9
190.05074	5.0
194.05804	1.5
194.39003	1.8
194.47552	1.6
195.06636	31.8
201.10379	14.1
210.05243	5.4
213.10295	2.9
225.07770	16.6
227.11853	5.8
229.09935	14.3
229.13399	2.8
237.10301	1.4
239.11853	7.8
255.11327	5.6
257.12869	3.0
265.09637	2.2
277.09766	1.7
279.11624	2.1
287.10272	2.0
301.12012	14.2
305.09052	2.3
307.11127	1.6
319.09644	1.7
319.13077	33.1
327.13528	1.9
328.13464	1.8
330.12695	1.9
337.11877	5.6
344.13467	2.2
356.13318	1.4
359.15109	3.1
371.14981	1.6
374.15033	6.4
382.27567	1.6
386.11172	2.4
392.16153	6.9
400.13116	2.1
404.16165	1.9
416.16193	5.7
417.73294	2.1
432.15543	6.0
434.17169	2.8
441.95422	1.4
446.17047	7.1
449.07816	1.5
465.26877	7.4
567.22601	12.5
569.83264	1.6
615.24738	26.4
625.23151	1.8
709.89764	1.7
761.30920	2.0
805.29498	100.0
806.27667	2.1
837.31958	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.8
65.87363	0.2
71.01385	1.6
74.53204	0.2
85.02960	0.3
89.02444	0.9
101.02457	1.7
107.40047	0.2
110.44221	0.2
113.02455	0.5
119.03514	0.3
157.10698	0.2
161.04559	0.3
181.66817	0.3
235.08217	1.2
253.09322	3.8
259.20697	0.4
277.21753	100.0
278.22073	1.2
396.65106	0.3
468.39914	0.3
513.30609	0.3
545.88898	0.3
785.46777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.6
61.63633	0.3
63.90857	0.3
67.65957	0.3
69.03474	0.5
71.01388	9.5
71.05042	0.5
71.53268	0.3
72.99329	0.5
73.02963	1.9
75.98608	0.3
80.02706	0.7
81.03461	1.3
83.01443	0.4
83.05037	6.5
84.02156	1.2
85.02972	2.0
85.76446	0.4
86.00114	0.3
87.00889	1.7
89.02448	7.6
92.10022	0.4
95.01419	0.8
95.05038	0.5
97.02955	0.6
99.00903	0.4
101.02455	6.7
109.06598	0.7
113.02454	3.6
119.03526	1.6
125.02438	1.9
125.06134	0.4
131.03465	0.5
135.08163	1.9
136.46658	0.3
138.19640	0.4
143.03467	0.6
149.26808	0.3
161.04576	0.7
163.11279	6.1
165.12851	3.4
169.05162	0.4
179.05615	1.7
181.12296	0.6
191.10828	0.9
209.11865	100.0
210.12178	0.6
221.06705	0.4
227.12936	10.5
235.08296	1.6
251.90459	0.4
305.08759	0.4
379.12503	1.7
397.13489	15.4
415.14676	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	830.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
73.02960	0.6
74.18359	0.4
99.92584	5.8
114.93392	0.5
116.92862	100.0
116.97255	1.7
117.01967	0.6
117.92928	0.6
123.72995	0.4
136.41930	0.4
165.47040	0.5
211.88815	0.4
214.93706	0.4
533.94214	0.4
603.12494	0.4
772.30768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.8
58.46659	0.5
59.01385	48.4
71.01379	18.2
72.57549	0.6
72.99325	0.8
73.02937	5.9
80.09310	0.7
83.01392	2.6
85.02979	5.5
89.02440	20.2
95.01408	2.4
95.05017	0.8
99.04549	1.4
101.02449	10.8
113.02457	7.8
119.03504	4.8
125.02442	0.8
139.11296	16.5
152.19221	0.7
163.11319	5.0
181.12363	45.3
183.10281	18.2
199.13406	5.8
207.10233	1.3
225.11349	74.4
228.32530	0.7
243.12381	78.9
244.12975	0.8
249.11258	0.9
255.03145	0.9
352.17538	0.7
405.17709	100.0
786.79999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	83.9
83.54194	44.4
89.39947	41.9
223.53967	43.1
255.23315	80.2
457.90561	44.0
470.70206	60.5
831.50397	100.0
862.78729	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.5
59.01385	23.4
71.01384	13.5
72.99313	0.6
73.02946	1.3
83.01402	0.8
85.02960	3.3
87.00881	0.8
88.32298	0.3
89.02445	15.0
90.45522	0.3
93.77125	0.3
94.09649	0.3
95.01382	0.8
95.50967	0.3
96.31749	0.3
99.00874	0.4
99.08157	15.5
101.02444	9.6
113.02447	6.9
119.03501	5.4
121.02967	0.4
123.72954	0.3
127.07674	2.4
129.09204	1.7
134.03731	2.4
135.04552	0.6
141.09215	2.0
142.06876	0.4
143.03470	0.6
145.08720	50.3
146.03754	2.4
149.04604	0.3
149.06070	2.5
161.04659	0.4
161.06075	1.9
164.04828	1.6
165.05585	2.7
166.06311	0.6
167.07178	3.4
167.09639	0.3
177.05719	0.5
179.05664	0.8
179.07123	4.8
187.09769	1.8
191.05702	0.8
207.95868	0.4
291.41800	0.4
307.14035	100.0
308.14493	0.5
327.12381	0.5
345.13449	0.7
748.10675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47570	0.9
59.01379	5.0
59.08593	1.0
61.95284	0.9
64.85454	1.0
66.30141	1.3
71.01378	4.7
71.23016	1.0
73.02958	1.0
85.87586	1.1
87.00890	1.5
89.02475	1.7
90.80335	1.1
92.10733	2.5
97.06587	2.2
99.04545	1.2
101.02508	1.2
106.75500	1.1
111.08129	1.1
112.25696	1.1
113.02464	1.1
121.06572	1.8
123.08151	5.7
125.02440	1.3
135.04541	2.2
136.05302	72.2
137.06090	1.6
141.09174	1.9
147.08208	2.0
148.05286	2.3
149.06111	13.4
150.03192	1.2
150.06866	6.1
151.07605	1.8
157.45859	1.1
162.06828	1.7
163.07634	6.4
164.08420	5.9
165.09216	60.9
175.24606	1.1
179.07048	1.2
207.10252	1.3
229.10857	2.8
271.02594	1.3
293.99884	1.3
300.03073	1.3
306.18280	5.2
321.20810	8.3
343.21237	10.4
350.21066	7.4
427.28580	5.3
445.29593	7.2
447.09338	4.8
462.29828	2.2
463.30737	30.8
486.00232	1.4
508.30707	5.3
508.77814	1.1
509.31180	48.2
671.36823	14.3
833.41943	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	823.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	3.6
63.90242	0.2
64.07664	0.1
65.00324	6.2
68.78064	0.2
71.01398	0.1
83.01387	4.5
93.03456	2.3
107.01399	15.2
108.01664	0.2
108.99368	0.2
109.02969	1.5
121.02964	12.7
125.02438	0.8
127.01724	0.2
137.02451	0.2
139.04007	0.9
142.56241	0.2
145.02975	0.2
147.04541	0.2
147.10094	0.2
149.02437	2.3
151.00385	52.2
152.01048	0.3
159.04486	0.2
161.02419	0.3
163.00385	0.8
163.03996	0.6
164.01149	1.0
169.01443	3.8
171.04425	0.3
173.06218	0.2
175.04001	0.4
178.99870	20.4
180.00320	0.2
187.04036	0.7
189.05722	0.2
192.00713	0.2
193.01393	1.3
201.05611	0.7
203.03470	0.3
205.05107	0.6
211.04022	0.8
227.03551	0.4
229.05075	1.1
231.02913	0.2
243.03030	0.3
245.04530	1.0
245.44543	0.2
255.02974	0.7
257.04572	0.7
271.02512	0.3
273.04111	2.6
299.02115	0.3
300.02731	0.2
301.03580	100.0
302.03802	2.3
324.54745	0.2
434.13107	0.2
612.92938	0.2
765.47864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.7
59.01374	40.7
71.01370	20.7
72.99285	1.0
83.01379	1.1
85.02953	6.6
89.02430	22.5
101.02417	15.5
111.04526	1.2
113.02435	8.0
119.03489	9.3
121.06598	1.2
123.08155	4.7
125.02435	3.6
159.30508	0.9
167.03548	0.9
171.11766	4.4
189.12785	8.9
215.10820	1.1
233.11752	3.0
277.10736	2.9
347.38162	0.9
452.34497	0.8
457.17172	100.0
458.17313	1.7
540.25793	0.8
564.20032	0.9
687.01630	0.9
785.79498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.6
69.79771	1.2
72.99319	3.2
95.05081	1.4
96.96006	2.0
103.72717	1.3
117.03469	5.8
119.05029	3.1
132.41258	1.3
147.04526	75.5
165.05573	67.3
173.02409	2.6
175.00375	3.2
207.06644	25.9
223.83421	1.4
251.09448	3.4
283.06161	3.5
293.04593	100.0
294.04843	1.9
311.05624	9.0
319.93192	1.6
413.08801	17.3
577.15710	48.9
788.18213	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	817.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98833	5.3
70.85532	0.4
71.01386	2.6
73.02957	0.4
81.93666	0.4
89.02451	2.5
89.22939	0.4
97.02918	0.7
101.02412	1.6
113.02469	0.8
121.14475	0.4
125.02457	0.6
137.09737	2.3
139.11412	0.4
141.01707	31.5
159.55362	0.4
173.39577	0.4
207.17639	0.6
277.21774	7.2
283.19208	2.8
291.80518	0.4
359.22058	4.6
397.13647	9.3
415.14478	1.7
419.11768	2.2
437.12561	2.6
472.26682	0.4
675.36469	0.9
697.33655	4.3
793.85291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.3
63.02416	0.3
65.00329	0.4
67.06356	0.3
71.01404	0.6
74.46859	0.3
76.57778	0.4
83.01411	0.5
85.03008	0.4
85.72155	0.3
86.61893	0.3
89.02455	0.4
107.01396	2.7
108.02197	0.8
109.02953	1.5
121.02961	2.0
135.00880	0.7
139.11311	0.6
148.01698	1.5
151.00351	10.6
153.09198	5.0
163.00381	2.5
164.01157	0.4
167.03560	0.4
169.01419	0.6
178.99858	4.0
183.10268	0.4
184.96848	0.4
197.08194	4.9
203.03409	0.6
211.03983	0.6
225.11343	0.4
226.02602	0.5
227.03539	1.7
229.05074	0.4
243.02983	7.5
243.12311	1.8
244.12825	0.6
245.04503	0.7
254.02222	1.9
255.02991	21.2
271.02472	48.8
272.03098	2.3
283.02441	0.8
299.01947	0.7
300.02747	100.0
301.03528	35.0
359.08191	0.3
359.13324	1.3
405.17496	0.8
463.08817	75.9
464.09036	2.2
570.22144	0.4
570.32629	0.5
676.47742	0.4
827.93738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
60.22980	0.3
63.02396	0.8
65.00327	16.2
71.01401	0.6
80.05451	0.3
83.01380	7.8
89.02458	0.8
95.01390	0.5
101.02419	0.4
107.01393	27.1
108.02163	0.6
109.02952	0.8
113.02469	0.7
120.12813	0.4
121.02998	0.6
122.03790	0.6
123.04535	10.3
124.01656	1.9
125.02442	11.3
133.02939	4.8
135.04510	3.5
149.02475	3.1
150.03229	10.9
151.00380	100.0
151.04001	31.0
152.01186	6.3
153.01949	0.4
161.02428	0.4
169.01416	2.2
171.04520	0.6
174.03287	0.6
175.03996	2.8
176.01195	0.8
177.01938	0.8
178.99879	6.9
185.06139	1.5
189.05580	0.9
198.03244	0.6
199.04016	3.3
201.02086	0.5
213.05615	1.6
215.03531	1.7
217.05110	2.2
223.03996	0.4
229.05072	0.8
241.05104	2.6
243.02924	0.5
257.04630	2.4
259.06168	0.8
285.04086	62.2
286.04355	0.5
303.05109	3.0
313.09412	0.7
317.47430	0.5
339.07364	2.5
420.11096	0.5
447.09396	0.5
465.10452	63.8
466.10855	0.8
593.83997	0.4
661.00818	0.5
837.02478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01381	7.4
59.87526	0.3
61.98853	0.4
71.01382	3.0
73.02972	0.7
73.72978	0.4
83.05023	4.3
84.02177	0.5
85.02979	0.6
87.00893	0.6
89.02470	2.3
92.10056	0.4
97.06691	0.3
101.02451	3.2
113.02468	1.4
119.03439	0.4
120.63430	0.4
135.08212	0.7
161.04538	1.3
163.11336	3.3
165.12854	2.2
179.05637	0.6
181.12354	0.5
191.10764	0.5
202.84401	0.4
209.11865	77.2
210.12277	0.5
227.12915	8.2
235.08252	3.8
250.13545	0.3
253.09305	6.8
259.20258	0.4
263.73593	0.4
271.56671	0.4
274.84320	0.4
277.21759	100.0
278.22156	1.8
372.19083	0.5
445.20776	1.5
513.31158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62649	0.7
63.96259	1.4
69.03485	1.2
71.01381	10.5
71.17487	0.7
72.17178	0.9
73.02972	2.9
78.98589	9.2
79.95733	16.0
80.96517	100.0
81.03474	0.8
85.02974	3.5
86.84907	0.8
87.00900	4.4
94.98076	22.7
96.96027	0.9
97.02937	1.4
101.02448	3.8
106.98114	5.4
119.30965	0.8
122.97588	5.1
125.02435	4.7
127.04069	1.1
134.97581	8.2
136.99129	3.4
148.99191	7.4
152.98636	8.5
162.83801	0.8
164.98625	19.4
167.00281	0.8
194.39500	0.7
206.99725	3.2
225.00790	23.1
255.23421	1.9
277.21878	1.7
321.22552	0.9
337.00784	0.8
537.28265	1.3
543.42468	0.9
548.98810	1.0
559.25940	1.4
815.49994	92.1
816.50580	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	817.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	2.7
59.01385	2.1
72.99306	36.4
75.00895	0.8
79.27153	0.3
91.05528	24.0
107.05071	0.7
109.02930	0.6
115.05541	3.9
117.03461	10.2
119.05010	0.5
121.02978	0.4
123.04532	0.9
124.64478	0.4
125.02446	4.9
131.05025	8.0
133.06593	8.4
135.04559	2.1
137.02446	0.8
142.89581	0.5
147.04532	2.4
149.06094	78.2
151.04051	0.7
159.04478	1.4
161.02513	0.5
163.02698	0.9
163.04025	19.9
165.05580	0.6
166.69461	0.4
175.03912	0.4
177.05594	22.6
179.03566	3.6
191.05696	1.7
193.05081	1.5
195.06607	0.7
196.07956	0.5
239.05637	100.0
240.06096	0.8
245.08061	0.7
255.02902	0.5
289.07175	2.8
299.94662	0.4
407.07983	2.7
425.08728	2.0
451.10135	0.5
506.29565	0.4
577.13666	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	811.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
58.00589	1.0
59.01375	68.4
63.64496	0.4
65.00326	2.4
71.01364	11.5
72.99299	0.6
83.01389	2.3
83.04974	0.7
85.02936	2.5
89.02431	13.5
92.10803	1.4
95.01382	1.1
99.04495	10.1
101.02427	7.8
102.31039	0.4
105.73672	0.5
107.01383	5.2
108.02142	0.8
113.02431	6.8
119.03460	3.1
123.04523	1.0
125.02399	4.2
130.36740	0.5
137.09698	1.0
149.02368	0.7
150.03220	4.3
151.00354	15.5
151.03992	3.0
152.01102	3.6
152.69568	0.5
153.01915	0.7
155.10783	9.2
165.12857	5.6
178.99783	2.9
189.12828	2.2
191.05540	1.3
199.09785	6.7
199.16710	0.5
207.13890	12.7
209.11827	34.3
217.04927	0.7
225.14957	8.7
227.12820	0.6
245.04408	0.5
251.12825	6.6
269.13934	55.4
270.14349	0.7
285.04065	9.3
286.04691	0.6
303.05109	3.3
322.64261	0.6
361.14929	0.9
449.11346	5.9
449.20288	100.0
450.20508	1.9
636.36151	0.6
649.17316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
59.23106	0.3
63.02421	0.3
65.00342	1.1
71.01380	0.5
72.81400	0.2
82.28847	0.3
83.01418	0.6
84.21458	0.3
85.02968	0.3
90.22171	0.3
96.96030	0.3
107.01392	3.0
108.02189	1.4
109.02970	1.5
121.02953	1.9
125.02435	0.5
135.00844	0.4
138.03217	1.2
148.01678	1.3
151.00337	11.1
152.00996	0.4
153.01945	0.4
153.05556	1.5
153.07991	0.4
153.09177	4.6
154.09546	1.3
163.00310	2.3
169.01398	1.5
178.99844	5.9
190.99881	0.4
192.00644	0.4
196.29070	0.3
197.04568	1.4
197.08162	3.2
198.08487	1.3
199.04001	0.7
211.04021	0.3
216.04335	0.3
225.68095	0.3
226.02696	1.4
227.03545	2.5
229.05029	0.7
243.02974	10.3
243.12311	1.6
244.12822	0.3
245.04485	1.5
254.02190	1.8
255.02980	25.9
271.02469	56.6
272.03064	2.2
273.04108	1.1
283.02515	1.3
283.87286	0.3
299.01944	1.8
300.02734	100.0
301.03503	34.0
324.01013	0.3
331.04562	0.6
349.05542	0.6
359.13531	1.2
461.80838	0.4
463.08813	78.4
464.09033	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	807.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58800	0.4
61.03566	0.4
64.90501	0.4
81.83488	0.4
92.10786	0.8
96.76479	0.5
100.11199	0.4
265.25861	0.5
314.41632	0.4
421.16409	100.0
422.16745	2.0
650.58331	0.6
803.26886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45055	21.2
73.42613	25.5
75.69855	20.3
80.02989	21.7
92.10127	100.0
173.64841	27.4
275.80521	21.4
277.21817	30.0
592.98456	27.3
664.89172	27.5
671.41327	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
58.00614	0.5
59.01385	31.1
67.01900	0.7
71.01386	13.6
72.99307	49.4
79.61050	0.3
83.01400	0.7
85.02955	3.6
87.00858	0.5
89.02445	16.5
91.74947	0.3
93.03461	7.7
95.01392	0.5
97.06620	0.4
101.02433	9.9
111.04501	1.4
112.12907	0.3
113.02452	5.8
119.03497	6.5
119.05004	4.0
125.02430	0.4
131.03542	0.4
131.32088	0.3
137.02438	1.8
155.03456	0.7
163.04045	3.8
173.04565	17.8
175.11241	0.4
181.08675	0.4
187.11314	0.5
191.05669	0.4
231.10307	0.4
231.19139	0.3
249.11362	1.8
293.10358	3.7
308.80261	0.3
311.11273	2.4
328.31995	0.3
337.09387	3.9
352.11380	0.6
473.16727	100.0
474.16992	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	811.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
58.00614	0.5
59.01385	31.1
67.01900	0.7
71.01386	13.6
72.99307	49.4
79.61050	0.3
83.01400	0.7
85.02955	3.6
87.00858	0.5
89.02445	16.5
91.74947	0.3
93.03461	7.7
95.01392	0.5
97.06620	0.4
101.02433	9.9
111.04501	1.4
112.12907	0.3
113.02452	5.8
119.03497	6.5
119.05004	4.0
125.02430	0.4
131.03542	0.4
131.32088	0.3
137.02438	1.8
155.03456	0.7
163.04045	3.8
173.04565	17.8
175.11241	0.4
181.08675	0.4
187.11314	0.5
191.05669	0.4
231.10307	0.4
231.19139	0.3
249.11362	1.8
293.10358	3.7
308.80261	0.3
311.11273	2.4
328.31995	0.3
337.09387	3.9
352.11380	0.6
473.16727	100.0
474.16992	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	807.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.9
62.25280	0.4
70.09849	0.3
71.01387	1.8
76.57682	0.4
89.02467	0.6
92.10122	0.4
93.03473	1.9
101.02468	0.7
108.02211	0.5
109.02973	0.7
113.02482	0.5
121.02957	2.9
122.03746	9.0
129.70528	0.4
133.02942	1.9
135.04576	0.5
136.01651	0.7
137.02493	0.7
146.35641	0.5
149.02437	13.2
150.03232	84.6
152.01137	0.6
164.04785	2.7
165.01956	3.3
165.05568	100.0
166.02438	0.9
166.06110	0.4
179.03497	0.6
180.02802	0.8
180.04266	10.4
181.04886	0.6
195.06639	49.9
226.08127	0.5
270.08978	1.0
283.15573	0.6
285.11349	2.3
285.16953	0.5
298.08487	2.2
299.09241	2.6
311.09348	0.7
313.10925	1.0
314.07999	2.2
323.09183	0.5
325.10989	0.9
326.07999	0.8
329.10324	6.4
341.10330	8.1
344.12701	9.1
356.12756	4.3
359.15054	20.9
359.63190	0.5
371.15039	13.4
507.20746	0.6
513.83398	0.5
537.20959	1.1
585.23523	36.9
597.22510	0.5
644.24554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
71.01378	0.5
73.02951	0.4
75.00159	0.2
85.02949	1.0
89.02457	0.5
101.02424	0.2
103.04081	0.2
117.03450	7.8
131.01376	1.0
135.00935	0.3
137.02434	0.2
156.91466	0.2
159.04512	0.3
161.02460	1.4
163.00313	0.2
163.03998	1.1
173.02419	4.0
175.00366	6.6
175.04047	0.3
177.04895	0.2
237.05493	0.4
249.05629	0.9
265.05087	0.4
269.04559	1.5
281.04501	1.5
282.05396	0.9
283.06158	5.1
293.04602	100.0
294.04959	1.9
295.06198	0.5
311.05661	11.3
314.04437	1.2
321.88132	0.2
323.05713	1.7
335.05743	0.5
341.06723	0.4
413.08875	16.2
414.09006	0.3
457.11014	0.8
577.15729	40.9
578.16101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01393	12.5
63.21110	0.8
68.99828	12.4
71.01392	3.7
73.02968	1.2
74.59715	0.9
85.02967	1.3
87.00873	1.2
89.02431	1.2
97.06596	1.2
97.32521	1.2
99.04537	1.0
102.62733	0.9
108.02180	30.1
109.02292	0.9
109.02979	5.8
121.02977	1.3
121.23350	0.9
122.03773	4.8
123.00893	10.3
123.04523	27.3
132.02213	5.2
133.02988	1.6
134.03700	0.9
135.04543	1.9
137.02451	1.1
138.03194	12.3
147.04434	1.2
149.06006	1.1
150.03221	15.2
151.03992	1.1
151.07648	4.9
152.01123	4.0
160.01678	1.0
161.02480	13.1
162.03230	26.2
163.04053	14.9
165.05724	1.3
165.09232	1.5
165.80466	1.0
167.03526	1.1
177.05589	58.6
178.02744	37.8
179.03529	4.3
183.10387	1.0
193.05075	62.0
225.11310	1.7
283.15460	5.5
285.11414	4.4
299.09320	4.0
311.09296	2.0
313.13141	2.3
313.16528	1.7
314.08002	1.2
326.07932	1.7
329.10425	10.9
341.10242	7.4
344.12769	11.7
356.12674	6.5
359.15012	20.6
371.15057	4.1
419.09875	4.5
430.60733	0.9
469.35205	1.1
499.08777	1.2
521.19806	1.4
583.21973	100.0
584.22296	4.2
655.22504	1.0
805.42084	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	807.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.5
80.60255	0.4
92.10169	0.6
93.03450	2.7
117.14004	0.4
121.02944	4.8
122.03748	10.0
123.04567	0.6
128.90184	0.5
133.02896	1.6
135.04538	0.8
136.01720	0.7
149.01237	1.0
149.02457	37.3
150.03241	92.7
151.03938	0.8
160.01813	0.6
161.02519	0.5
163.04013	0.9
164.04816	9.1
165.05583	100.0
166.06024	0.6
173.17937	0.4
175.03926	0.5
179.07190	0.7
180.04292	8.8
180.07925	0.5
185.69937	0.5
195.06645	33.9
222.09094	0.7
270.08945	1.2
280.60089	0.5
281.08139	0.5
283.09833	1.9
285.11395	4.1
297.11301	0.7
298.08438	0.9
299.09219	2.4
299.12717	0.9
301.10721	0.5
310.08389	0.5
311.09424	0.8
314.08115	2.0
326.08115	1.0
326.11667	0.8
327.12524	5.6
328.13226	11.5
329.10440	8.1
339.12723	0.6
341.10373	9.0
341.14078	1.3
343.11960	0.8
343.15564	5.2
344.12698	14.3
345.13522	0.9
355.11987	0.6
356.12659	5.9
359.15060	20.0
371.14996	12.2
389.16162	1.1
432.15219	0.5
461.16190	0.8
463.17526	0.7
491.17493	0.9
492.18039	3.7
507.20322	10.0
522.19208	1.8
537.21399	33.9
538.21729	0.5
567.22540	0.9
585.23529	67.2
586.23596	1.8
587.68982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01391	1.2
60.99354	0.1
63.02424	0.2
65.00340	2.5
65.37086	0.1
67.01900	0.2
69.03472	0.2
71.01405	0.8
73.02951	0.1
78.07341	0.1
79.28638	0.1
81.03475	0.2
83.01397	1.4
83.05066	0.1
85.02963	6.3
87.00425	0.2
87.00874	1.3
93.03456	3.2
93.04005	0.1
95.01427	0.1
96.51772	0.1
101.02425	0.1
107.01398	4.8
109.02968	0.6
111.00881	0.1
111.04539	1.1
119.05037	0.9
122.03805	0.1
123.04518	1.7
124.01653	0.2
125.02441	1.7
127.04002	1.7
133.02898	0.8
133.85889	0.1
135.04541	0.4
137.85014	0.1
144.06699	0.1
145.02933	1.2
149.02449	0.2
150.03241	1.7
151.00388	16.0
151.04018	5.2
152.01187	1.5
153.01985	0.2
163.03981	1.1
169.01486	0.5
171.02966	0.2
173.04527	1.8
174.03470	0.1
175.04034	0.2
176.01123	0.2
177.01915	0.2
178.99876	1.1
185.06035	0.2
191.05641	100.0
192.05994	5.3
193.06100	1.9
199.04044	0.7
201.02040	0.1
213.05603	0.2
215.03464	0.2
217.05124	0.6
241.05055	0.3
257.04648	0.2
278.53015	0.1
285.04080	8.9
289.34433	0.1
301.22177	0.1
337.09351	19.0
338.09662	1.7
339.06613	0.2
339.09976	0.5
465.10431	8.3
771.62689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
67.01910	0.2
71.01393	0.7
72.62567	0.1
74.29463	0.1
75.60008	0.1
78.08026	0.1
83.01416	0.1
85.02444	0.2
85.02952	5.8
87.00875	1.3
89.02422	0.1
93.03453	2.4
96.96020	0.1
99.04494	0.1
101.02477	0.1
102.98610	0.2
109.02961	0.5
111.04530	0.9
113.02447	0.2
119.05048	0.1
125.02419	0.8
127.04002	2.1
133.02959	0.8
135.04541	0.4
151.00409	0.4
155.03479	0.1
160.42139	0.1
161.02438	2.6
163.04115	0.1
171.03017	0.6
173.04530	1.2
178.99850	0.1
179.03531	0.5
191.05630	100.0
192.05919	0.9
193.28212	0.1
263.60947	0.1
287.08002	0.1
299.02142	0.1
337.09323	0.2
353.08829	13.5
413.26447	0.1
619.67908	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01393	12.5
63.21110	0.8
68.99828	12.4
71.01392	3.7
73.02968	1.2
74.59715	0.9
85.02967	1.3
87.00873	1.2
89.02431	1.2
97.06596	1.2
97.32521	1.2
99.04537	1.0
102.62733	0.9
108.02180	30.1
109.02292	0.9
109.02979	5.8
121.02977	1.3
121.23350	0.9
122.03773	4.8
123.00893	10.3
123.04523	27.3
132.02213	5.2
133.02988	1.6
134.03700	0.9
135.04543	1.9
137.02451	1.1
138.03194	12.3
147.04434	1.2
149.06006	1.1
150.03221	15.2
151.03992	1.1
151.07648	4.9
152.01123	4.0
160.01678	1.0
161.02480	13.1
162.03230	26.2
163.04053	14.9
165.05724	1.3
165.09232	1.5
165.80466	1.0
167.03526	1.1
177.05589	58.6
178.02744	37.8
179.03529	4.3
183.10387	1.0
193.05075	62.0
225.11310	1.7
283.15460	5.5
285.11414	4.4
299.09320	4.0
311.09296	2.0
313.13141	2.3
313.16528	1.7
314.08002	1.2
326.07932	1.7
329.10425	10.9
341.10242	7.4
344.12769	11.7
356.12674	6.5
359.15012	20.6
371.15057	4.1
419.09875	4.5
430.60733	0.9
469.35205	1.1
499.08777	1.2
521.19806	1.4
583.21973	100.0
584.22296	4.2
655.22504	1.0
805.42084	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	803.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01391	1.2
60.99354	0.1
63.02424	0.2
65.00340	2.5
65.37086	0.1
67.01900	0.2
69.03472	0.2
71.01405	0.8
73.02951	0.1
78.07341	0.1
79.28638	0.1
81.03475	0.2
83.01397	1.4
83.05066	0.1
85.02963	6.3
87.00425	0.2
87.00874	1.3
93.03456	3.2
93.04005	0.1
95.01427	0.1
96.51772	0.1
101.02425	0.1
107.01398	4.8
109.02968	0.6
111.00881	0.1
111.04539	1.1
119.05037	0.9
122.03805	0.1
123.04518	1.7
124.01653	0.2
125.02441	1.7
127.04002	1.7
133.02898	0.8
133.85889	0.1
135.04541	0.4
137.85014	0.1
144.06699	0.1
145.02933	1.2
149.02449	0.2
150.03241	1.7
151.00388	16.0
151.04018	5.2
152.01187	1.5
153.01985	0.2
163.03981	1.1
169.01486	0.5
171.02966	0.2
173.04527	1.8
174.03470	0.1
175.04034	0.2
176.01123	0.2
177.01915	0.2
178.99876	1.1
185.06035	0.2
191.05641	100.0
192.05994	5.3
193.06100	1.9
199.04044	0.7
201.02040	0.1
213.05603	0.2
215.03464	0.2
217.05124	0.6
241.05055	0.3
257.04648	0.2
278.53015	0.1
285.04080	8.9
289.34433	0.1
301.22177	0.1
337.09351	19.0
338.09662	1.7
339.06613	0.2
339.09976	0.5
465.10431	8.3
771.62689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
58.00595	2.1
59.01376	100.0
59.98549	0.5
61.61106	0.4
68.67420	0.4
71.01369	48.5
72.99292	3.0
73.02921	1.1
81.07095	1.9
81.15801	0.4
83.01376	2.5
83.17049	0.4
83.59257	0.4
85.02946	12.2
85.03455	0.8
87.00857	2.1
88.74638	0.4
89.02428	53.0
92.10853	0.5
95.01377	2.9
98.03756	0.7
99.04499	10.4
101.02427	21.2
111.04550	0.4
112.77953	0.5
113.02437	15.7
117.51406	0.5
119.03481	20.1
131.03476	2.3
135.11784	0.5
143.03490	2.7
149.04575	0.9
149.06046	0.9
150.06798	2.3
161.04521	4.2
161.13339	17.0
179.04076	0.8
179.05594	17.2
187.11206	2.9
205.12326	43.3
206.12648	0.7
210.37022	0.6
249.11299	63.2
250.11583	0.5
324.44785	0.5
371.20627	2.5
385.18634	5.6
429.17618	61.7
430.17987	0.7
431.23169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
58.00591	2.4
59.01387	100.0
59.90034	0.2
59.98522	0.6
60.01720	0.5
64.35176	0.5
71.01384	39.9
72.99303	2.3
73.02949	2.0
81.07112	1.6
83.01408	2.1
85.02957	9.9
87.00891	1.3
88.53516	0.3
89.02447	49.4
92.10732	0.6
95.01404	2.9
98.03782	0.5
99.04516	8.5
101.02451	19.8
111.04576	1.2
113.01691	0.7
113.02468	15.5
119.03512	17.5
123.67477	0.3
125.06152	0.4
126.82061	0.3
128.32890	0.3
131.03485	1.7
135.11795	1.3
143.03500	2.7
145.02985	0.6
149.04552	1.1
149.06107	0.6
150.06873	1.5
161.04559	5.5
161.13380	14.6
179.05646	12.5
187.11320	2.9
205.12372	36.9
206.12622	0.5
231.10048	0.4
249.11356	47.6
250.11668	1.4
278.92334	0.3
371.20755	5.5
385.18845	3.7
425.56845	0.3
429.17667	44.9
430.18115	1.2
431.22934	2.2
462.34192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
57.33956	0.6
59.01385	5.3
64.34174	0.7
65.00343	3.9
67.14120	0.7
71.01401	1.4
82.02979	34.5
83.01379	5.1
85.02948	0.9
87.00896	1.1
89.02415	0.9
93.03485	0.7
96.96026	3.0
101.02470	0.8
107.01405	5.0
122.02458	1.1
122.06113	5.6
123.04516	0.9
124.04062	0.9
125.02436	7.1
136.04036	25.0
136.05013	1.4
137.23196	0.8
138.43854	0.8
150.03249	5.0
150.05641	0.9
151.00363	22.8
151.04012	5.0
152.01186	3.2
160.07716	1.2
161.07217	0.9
163.04004	0.9
164.03540	48.5
174.30441	0.6
175.03987	0.9
176.07132	1.2
177.01874	0.9
178.08786	1.0
178.99837	1.7
180.02925	0.9
182.04579	4.5
183.03458	0.8
184.81764	0.7
194.04605	23.2
195.05374	6.8
196.06183	23.0
202.08731	1.8
204.06721	1.8
229.06184	0.8
231.07678	1.0
244.09834	9.6
245.09348	4.0
258.06552	3.7
259.07394	1.1
259.10938	1.8
269.09387	3.5
270.07803	5.7
271.07349	3.5
276.07529	0.8
285.04068	12.7
287.10403	100.0
290.49622	0.8
291.10016	1.6
313.08420	1.3
319.13086	1.5
331.09393	46.6
332.09546	0.8
356.98218	0.9
363.12015	63.7
415.16214	1.1
435.09402	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	799.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00600	1.5
59.01078	1.7
59.01374	53.6
59.20538	0.8
71.01372	22.4
71.13026	0.8
72.99313	1.2
73.02963	1.0
83.01386	1.1
85.02943	7.8
89.02435	26.5
89.02937	1.7
93.03441	1.0
95.01387	1.3
97.84948	0.9
101.02435	17.2
109.02974	2.1
111.91402	0.8
113.02413	9.8
119.03484	9.6
120.39262	0.9
121.06573	1.6
123.08198	4.1
125.02454	4.5
130.21036	0.9
130.49875	0.8
133.02928	8.4
135.04510	41.6
136.04907	1.4
161.02435	36.4
167.03404	1.8
171.11772	4.4
173.04514	4.6
177.01897	3.7
179.03477	50.1
189.12880	9.7
191.05577	10.2
191.58810	0.9
192.05928	2.1
215.10831	1.7
233.11919	1.2
243.02843	1.2
277.10733	8.0
292.51035	1.3
319.07291	1.1
341.08759	28.0
351.92438	1.1
353.08899	1.6
355.09436	1.0
454.92151	1.1
457.17154	100.0
458.17743	1.9
634.60095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
67.01893	0.3
69.03458	0.1
71.01385	0.5
73.02953	0.1
74.00933	0.1
81.03464	0.2
85.02949	5.9
87.00859	1.3
87.01278	0.1
89.05220	0.1
93.03452	2.9
93.16030	0.1
96.96033	0.3
99.04525	0.1
109.02969	0.4
111.04508	1.2
113.02454	0.1
117.03451	0.1
119.05020	1.1
120.79279	0.1
127.03992	1.6
129.01987	0.1
145.02953	1.0
155.03502	0.1
160.94592	0.1
163.04019	1.1
171.03011	0.4
173.04536	1.5
175.93889	0.1
178.09695	0.1
191.05626	100.0
192.05946	0.8
228.69725	0.1
236.64713	0.1
270.51797	0.1
337.09351	18.0
338.09625	0.1
395.72034	0.1
463.09027	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
67.13116	0.4
71.01392	2.4
73.02956	0.6
80.02678	1.9
81.03442	0.4
83.05032	3.5
87.00895	0.6
89.02430	2.1
92.10739	0.5
92.65850	0.4
95.04983	0.5
101.02455	3.2
113.02494	0.4
116.92761	0.4
125.06078	0.8
135.08099	0.6
148.08882	0.6
151.65111	0.5
161.04590	0.9
163.11317	4.1
165.12852	20.5
181.12331	0.5
184.47534	0.5
191.14494	0.8
209.11867	62.1
227.12898	6.8
235.08273	0.8
247.20667	10.8
253.09291	7.6
273.18616	5.8
289.88412	0.5
291.19699	100.0
292.20187	0.7
292.74094	0.5
303.04382	0.6
382.16669	0.4
476.41138	0.4
527.28864	0.8
707.55029	0.5
741.46826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01390	1.7
63.02406	1.0
64.03957	0.4
65.00329	17.2
71.01377	0.5
73.02962	0.4
79.26100	0.4
83.01381	8.1
89.02463	1.0
96.49174	0.4
105.06146	0.4
107.01398	29.0
109.02968	0.9
109.64770	0.4
121.02861	0.5
122.29759	0.4
123.04517	8.8
124.01661	2.7
125.01501	0.7
125.02441	22.3
133.02968	4.8
135.04553	2.0
137.09766	2.3
139.03899	0.4
149.02493	2.9
150.03235	19.5
151.00386	100.0
151.04007	24.8
152.01169	15.7
153.01933	1.0
155.10799	20.4
169.01402	1.9
171.04507	0.5
173.02457	0.5
175.04002	4.6
176.01176	0.9
177.01929	4.5
178.99875	19.7
180.00658	0.9
181.01428	0.4
185.06070	0.6
189.05603	1.4
193.04997	0.4
199.04094	5.2
199.09778	18.0
213.05606	0.8
215.03427	0.5
216.04170	0.4
217.05028	3.2
229.05061	0.8
241.05159	3.2
241.10794	0.6
257.04636	2.4
257.39865	0.4
259.06021	1.5
275.05591	1.5
283.08319	1.6
285.04092	54.3
286.04364	0.9
301.03464	0.9
302.04291	0.8
303.05164	18.3
309.06073	3.0
361.15012	2.9
417.08218	0.6
427.04330	0.5
435.09396	63.7
436.09744	0.8
583.14301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	24.8
59.01378	0.6
60.99318	1.0
64.72855	0.4
73.03003	0.6
83.05070	1.1
84.81768	0.5
92.10033	0.5
97.06584	10.6
98.06940	0.5
121.06586	0.6
123.08144	0.6
125.09696	6.8
129.67671	0.6
137.09731	2.0
153.61885	0.5
163.11259	0.6
189.16437	3.7
191.14465	2.7
207.17578	100.0
208.17888	5.9
209.18294	0.7
225.18579	2.3
249.14944	2.1
251.16565	31.3
251.19220	1.1
252.16887	2.1
267.16000	0.7
343.25970	0.6
772.26611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95929	12.3
57.37504	18.1
58.91649	15.0
59.01379	19.5
59.54326	13.0
61.98840	66.4
62.30866	14.9
76.20078	16.1
97.75482	17.4
100.43196	15.9
116.92888	100.0
137.75995	19.4
174.18257	15.7
177.38675	15.6
183.63142	14.8
209.11903	34.7
277.21872	66.8
423.36230	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	793.458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	4.4
59.01383	0.7
74.79187	0.5
97.06603	1.2
125.09702	1.1
132.98195	2.8
140.87010	0.5
175.11304	1.0
185.13342	2.9
189.12901	0.7
191.12709	0.8
191.14432	20.1
201.09242	1.2
207.03410	1.0
207.17538	10.4
208.17815	4.0
213.08174	1.3
221.04855	0.8
224.65257	0.6
233.15495	3.0
235.06519	3.0
245.04831	0.6
247.06448	2.4
249.08090	1.1
251.16431	3.2
256.90503	0.6
259.06519	0.9
261.08096	7.3
263.06104	0.8
263.06567	0.9
263.09662	11.3
265.07495	1.2
265.11243	1.0
275.06290	1.0
275.09686	2.0
277.07935	1.1
277.11246	20.9
279.12851	2.4
281.14392	0.7
289.07596	0.8
291.09091	3.9
303.09314	1.0
305.07440	1.1
305.10773	4.0
307.12320	100.0
308.12698	0.8
319.12228	0.7
321.10419	5.3
325.13443	0.6
349.13440	2.2
351.11322	21.2
481.26343	2.4
497.29733	9.7
523.27563	6.8
541.28601	62.8
542.28961	1.4
775.44287	0.8
793.46039	17.9
794.45245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
59.01384	2.2
60.99321	0.7
63.02412	1.6
63.31113	0.2
65.00329	13.1
67.01883	2.3
68.63348	0.3
69.03467	0.5
71.01401	1.7
71.58029	0.3
81.03469	1.2
83.01398	6.5
83.05036	0.4
85.02957	3.9
87.00877	4.7
89.02443	0.4
93.03457	18.2
95.01398	0.7
97.01089	0.3
99.00824	0.5
107.01397	25.3
108.99303	0.3
109.02969	1.4
111.00921	0.5
111.04529	3.2
117.03524	0.4
119.05024	8.5
121.02979	0.7
123.00909	2.2
124.01663	3.8
125.02441	13.6
127.04034	1.3
137.02452	1.8
138.03275	0.3
139.00388	0.6
139.04007	1.1
141.01950	0.5
143.05063	0.7
145.02946	3.0
147.00909	0.5
149.02438	6.3
151.00377	100.0
151.03992	14.3
152.01163	20.5
153.01947	1.3
155.03481	0.5
157.06575	0.4
159.04544	1.2
160.92638	0.3
161.02443	0.5
163.00308	0.5
163.04005	8.1
164.01224	0.3
165.01952	2.0
166.02716	24.4
167.03514	11.0
167.04893	0.5
169.01454	4.0
171.04608	0.3
173.04561	13.2
174.03058	0.3
175.00349	4.9
175.03940	0.3
176.01250	0.3
177.01941	1.3
178.99858	28.4
180.00591	0.4
183.04520	0.7
185.02553	0.4
187.03995	3.7
189.01881	0.4
190.02835	1.0
191.03668	3.2
191.05623	69.1
192.00652	7.1
192.05992	0.6
193.01433	11.4
199.04004	0.4
201.05621	0.6
203.03494	0.6
209.04588	0.4
211.04016	1.7
213.02039	0.5
214.02780	2.1
215.03543	15.0
215.05626	0.6
227.03513	1.2
229.05057	0.7
231.03058	2.7
233.04552	0.7
239.03499	1.5
255.03001	3.8
256.03906	0.4
257.04532	3.6
273.04016	3.3
283.02481	5.3
299.07770	3.9
301.03558	44.7
318.03967	3.1
319.04642	5.5
325.05710	10.2
337.09354	16.0
383.09763	0.4
433.07849	3.6
451.08862	41.3
463.46497	0.3
698.70880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
60.08718	0.2
71.01392	0.9
92.10139	0.5
92.66219	0.2
93.03465	1.1
101.02450	0.4
109.02954	0.2
113.02499	0.4
121.02955	4.3
125.02431	0.3
134.03738	0.3
135.04552	3.2
136.01660	0.2
137.02451	0.8
149.02452	36.8
150.02786	0.3
151.04028	1.1
151.99950	0.3
152.01175	8.3
163.04030	5.9
164.04808	38.5
165.01997	1.6
165.05161	0.2
167.03543	1.6
169.05070	4.1
179.07147	12.6
180.04298	0.9
193.01434	19.3
207.03069	0.2
207.22665	0.2
208.03802	56.3
209.04144	0.7
210.81598	0.2
223.06149	100.0
224.06422	1.4
269.10233	0.3
375.10245	0.2
385.11456	24.7
386.11865	0.4
401.14484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.2
58.00600	0.2
58.62558	0.1
59.01386	4.2
71.01378	2.3
73.02946	2.3
83.05034	0.7
85.02972	1.0
87.04509	0.3
89.02447	2.4
92.10809	0.4
95.01405	0.2
101.02477	0.9
103.74129	0.2
109.06632	0.2
113.02485	1.5
119.03513	0.2
135.08144	1.4
137.09727	15.3
142.23596	0.2
153.09201	0.2
155.10802	100.0
156.11145	0.9
161.68297	0.2
169.12363	0.8
181.08734	2.3
199.09798	71.6
200.10100	1.0
213.11409	0.3
241.10846	1.8
249.58023	0.2
286.98920	0.2
301.13171	0.3
329.99948	0.2
361.15118	19.6
611.95319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61959	0.1
58.92041	0.1
59.01381	0.3
61.98835	100.0
71.01366	0.2
84.66350	0.1
89.02468	0.2
101.02463	0.2
102.22694	0.1
113.02395	0.1
161.98196	0.1
163.11319	0.1
209.11867	2.4
210.12213	1.9
211.12407	0.8
212.12851	0.2
227.12840	0.2
254.09906	0.1
255.09695	0.2
277.21753	3.3
278.19214	0.2
278.22067	3.4
279.22491	1.6
280.22617	0.4
299.20145	0.4
324.47382	0.1
406.04312	0.1
429.44043	0.1
547.01593	0.1
678.34106	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59652	0.1
59.01390	1.1
61.98840	100.0
62.82341	0.1
63.04921	0.2
65.63919	0.1
71.01402	0.4
80.96520	0.6
81.03445	0.2
82.90804	0.2
82.96100	0.2
83.05044	0.9
84.05399	0.2
85.02967	0.2
89.02477	0.2
97.40229	0.1
101.02444	0.2
113.02439	0.3
116.92860	0.2
127.01981	0.2
136.67270	0.2
145.73152	0.2
147.32545	0.2
152.44572	0.2
163.11272	0.3
164.11641	0.3
166.13173	0.3
203.58725	0.2
209.11853	12.6
210.12193	10.0
211.12398	3.5
212.12599	0.3
227.12883	1.0
228.13228	0.7
253.09288	0.7
254.09586	0.4
255.09650	0.2
277.21725	4.4
278.22073	5.2
279.22357	3.0
280.22766	0.3
400.37100	0.2
479.71936	0.2
519.32086	0.2
565.81616	0.2
786.42310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.2
56.95840	0.2
57.03473	0.3
59.01386	5.4
59.92896	0.2
71.01393	3.0
73.02963	1.1
74.57076	0.2
78.23180	0.2
80.02705	1.1
80.96557	0.4
83.01406	0.5
83.05050	2.5
84.02206	0.4
85.02970	0.6
87.00900	1.0
89.02438	2.1
92.10214	0.3
95.05039	0.4
101.02439	3.5
113.02467	1.2
116.10030	0.3
119.03500	0.5
140.29466	0.2
145.05132	0.6
161.04585	1.4
163.11311	3.1
165.12872	1.5
181.12390	0.3
191.10809	0.3
201.78302	0.2
209.11858	63.6
210.12149	0.4
225.00717	0.3
227.12897	6.4
235.08200	4.9
240.42252	0.3
253.09280	7.2
277.21741	100.0
278.22049	1.7
278.67188	0.2
299.20242	0.3
312.19748	0.3
345.23038	0.3
445.20822	0.6
513.31409	0.3
557.23859	0.3
783.41608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98835	1.8
75.71802	0.6
79.95731	1.6
83.11598	0.8
97.06640	1.0
113.94916	0.8
116.92878	0.8
165.83711	0.9
277.21747	100.0
278.22110	7.2
279.22299	0.9
316.62848	0.7
465.81317	0.8
550.42548	0.9
676.43506	0.8
760.69769	1.2
765.40448	1.1
783.42108	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	785.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03395	1.2
59.01389	6.9
60.22340	1.5
61.98833	5.8
62.20647	1.4
62.30262	1.3
64.35191	1.5
68.26569	1.3
70.34120	1.1
71.01373	1.4
73.16887	1.3
77.60236	1.2
83.05045	1.5
88.20738	1.2
92.66511	1.4
101.02460	2.7
116.92857	16.2
163.11345	1.8
209.11852	55.1
227.12769	2.8
235.08188	2.6
253.09303	3.3
277.21729	5.8
279.23322	100.0
298.00415	1.5
304.35083	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	781.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.5
61.98837	10.0
68.64976	1.6
71.01398	9.4
76.40831	2.0
78.95877	6.3
78.98582	2.5
79.95750	8.9
80.96518	27.8
91.50155	1.9
94.98055	4.0
97.03008	2.4
99.00872	9.2
101.02492	2.7
116.92828	2.8
125.09731	2.7
134.89461	2.3
134.97607	2.6
152.63008	2.0
152.99561	2.5
153.16431	2.0
163.11310	2.5
164.98563	3.1
181.12320	10.0
207.10330	30.2
209.11832	3.7
225.00735	10.2
225.11371	46.8
226.43503	2.0
243.12375	4.6
255.23396	4.8
277.21747	100.0
277.24719	4.3
406.54941	2.0
443.19376	2.5
461.20724	3.0
721.41711	23.0
763.40155	4.0
781.40894	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16877	0.7
57.84829	0.7
59.01392	0.9
61.98843	0.7
64.56590	0.6
71.01386	0.9
72.12035	0.6
72.14815	0.6
79.95736	13.1
80.96518	12.7
86.31373	0.6
94.98089	1.4
116.92842	0.9
122.97469	0.7
126.76829	0.8
134.97560	1.3
138.12897	0.8
148.99271	0.8
152.98674	0.9
164.98656	3.0
182.37781	0.7
206.99803	1.3
225.00726	5.3
249.15025	1.0
251.16483	1.0
267.16183	0.8
277.21762	100.0
278.22125	2.8
341.05450	0.9
415.47803	0.8
763.39771	7.0
781.41168	5.5
789.64886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
61.98830	10.4
62.03293	2.6
80.96539	5.7
84.73808	2.3
89.02471	2.5
101.02493	3.2
139.88400	2.3
202.07162	2.1
209.11873	67.7
218.84715	2.5
225.84824	2.3
227.12944	15.5
235.08263	3.2
253.09343	8.8
277.21759	100.0
783.42139	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	781.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92088	1.7
59.01395	11.0
61.91587	1.5
61.98847	10.6
69.03481	1.8
71.01376	3.3
78.95903	58.0
79.95740	3.1
79.96293	2.0
80.96521	18.0
83.05038	4.7
96.96982	12.5
97.02976	4.0
99.00871	4.1
116.92861	2.8
127.07173	2.3
152.99586	13.0
163.11292	10.3
164.98582	2.9
171.90541	2.6
181.12334	13.8
207.10313	36.4
209.11856	60.5
223.00198	2.8
225.00816	4.2
225.11353	40.5
227.12967	3.7
241.01216	35.6
243.12450	2.7
246.74042	2.3
255.23351	41.6
277.21725	36.9
363.11603	2.3
461.20175	17.7
721.41742	14.2
737.14978	3.0
763.39911	4.0
781.41406	100.0
782.42487	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	781.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
59.19572	0.7
61.98843	4.0
65.01337	0.9
65.13712	0.8
67.27642	0.7
73.63393	0.7
78.95910	52.4
78.98586	1.1
79.95741	3.0
80.02664	1.7
80.96534	12.0
81.03493	1.1
83.05035	5.1
84.02194	1.7
89.79597	0.8
90.83530	0.7
94.98094	1.1
96.96970	15.5
102.28880	0.9
135.08154	1.0
152.99586	14.6
154.01408	1.1
163.11281	6.0
164.98682	1.4
165.12810	2.1
191.10799	1.9
207.10210	3.2
209.11865	69.4
223.00171	4.1
225.00687	3.4
225.11195	1.0
227.12889	2.1
238.20433	0.9
241.01224	30.2
247.99609	0.9
255.23329	47.0
259.02295	1.2
271.33405	0.8
297.03851	1.2
315.05072	1.5
332.39740	1.0
391.22592	1.0
721.41974	1.0
763.39240	1.0
781.41504	100.0
782.41614	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	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13272	0.2
59.97302	0.1
62.96393	0.2
63.22767	0.2
74.47528	0.2
78.95902	43.2
79.95725	0.4
89.02455	0.3
89.84614	0.2
96.96004	45.0
96.96953	100.0
114.15909	0.2
167.01706	0.2
197.88255	0.2
373.18927	0.2
420.23953	0.2
439.08640	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	781.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
59.01384	10.1
71.01407	2.0
81.03461	4.3
83.01401	12.0
89.02493	1.9
92.02627	1.3
92.66672	1.4
93.03475	5.0
95.01376	1.3
95.05034	7.5
96.95979	1.2
97.02953	16.3
101.02423	1.2
107.58226	1.1
108.02188	8.5
108.97415	1.2
109.02965	43.3
121.02959	13.2
122.03748	7.4
123.04527	34.2
125.02459	28.2
131.05072	1.6
133.02916	1.5
134.03664	1.4
135.04526	8.6
137.02441	30.4
138.03241	1.9
139.04028	14.1
145.02971	5.4
146.03754	7.2
147.04498	1.3
149.02452	20.1
149.06134	1.4
150.03198	1.6
151.04007	12.4
158.03767	2.8
159.04556	9.7
160.05270	1.7
161.02480	13.5
161.06102	18.4
162.03265	5.6
163.03976	2.0
164.01172	8.5
165.01903	17.3
167.03465	2.9
173.06081	2.7
175.04030	8.2
175.07680	5.6
176.04887	2.0
177.01950	2.0
177.05502	2.8
179.03520	12.9
183.04623	1.4
185.06105	1.7
187.04031	11.7
188.04787	9.6
190.02713	1.7
191.05666	9.6
192.07942	6.5
199.07664	1.3
200.04878	1.4
201.05577	5.2
202.06401	5.4
203.03560	1.6
203.07176	36.5
205.05104	28.0
207.10301	1.7
212.04823	1.7
213.05519	1.6
214.60876	1.2
215.07153	2.6
217.08614	2.2
218.09515	1.3
221.08247	6.4
227.07178	5.4
229.04991	2.6
229.08646	1.4
230.05937	2.3
231.02966	2.8
233.11836	2.1
241.05109	1.6
243.03160	1.6
243.10182	1.6
244.03851	2.1
244.07532	1.3
245.08215	40.8
247.06169	9.2
247.09700	1.4
257.04584	2.6
259.06268	5.0
259.09653	1.6
271.06134	5.7
283.09653	2.9
286.11969	1.5
288.44278	1.5
289.07227	100.0
301.07187	1.7
309.11630	1.6
311.09259	6.4
311.12570	1.5
312.10028	2.2
324.13834	1.7
326.11676	6.6
327.12402	2.7
341.13986	2.7
345.13364	1.3
346.51208	1.4
384.41760	1.3
390.22067	1.4
504.04578	1.3
506.48898	1.3
507.16675	16.9
629.22754	4.5
631.22394	13.7
699.35370	1.5
781.27301	73.4
782.27570	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	775.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	15.2
65.46667	2.3
69.22297	2.0
71.01407	12.3
81.03447	2.2
85.14288	2.3
91.46934	2.8
98.40965	2.5
101.02495	2.9
109.06591	10.1
116.92867	5.9
135.08202	3.3
161.68692	2.2
163.11305	5.6
174.71556	2.3
207.10257	36.8
225.11360	13.7
235.08325	3.6
253.09282	6.0
277.21750	100.0
412.72183	3.1
568.94214	3.1
721.41693	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.8
61.98822	1.8
66.38445	1.6
71.01385	13.9
74.25311	1.8
78.74240	1.7
83.05024	2.4
89.02448	7.7
97.02943	4.1
101.02463	6.6
109.06601	36.5
113.02399	2.0
114.73866	1.8
116.92873	4.0
121.06622	2.0
123.11105	1.5
135.08182	3.1
135.97322	1.7
151.36142	1.7
163.11287	24.7
171.10254	2.2
181.12294	3.8
207.10292	100.0
209.11852	7.3
225.11333	50.9
253.09381	15.1
254.27931	1.7
276.65948	2.1
277.21762	88.4
410.23477	1.8
461.20212	19.1
721.41742	29.4
722.42694	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	775.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
59.35950	0.4
61.98842	100.0
64.78242	0.5
66.86861	0.5
69.94129	0.5
72.83850	0.6
74.56622	0.5
75.58687	0.4
76.59096	0.5
80.43938	0.6
86.76183	0.6
93.11662	0.5
106.61736	0.6
143.83659	0.6
226.44238	0.6
358.79926	0.6
402.09317	0.7
499.91440	0.6
702.20868	0.6
715.53973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94241	1.2
59.01391	14.5
59.97669	1.3
71.01398	7.0
73.96265	1.4
76.19817	1.2
81.78523	1.5
88.20888	1.4
89.02451	6.3
101.02455	2.7
116.17579	1.5
119.03520	1.5
149.02457	3.2
150.03232	3.5
151.00404	3.0
151.04036	1.9
157.57179	1.4
163.47641	1.5
165.05568	2.8
183.06000	1.5
195.06743	2.2
195.84743	1.4
271.02652	2.4
300.02771	2.6
331.04532	3.3
407.18466	100.0
408.18753	1.6
409.18503	2.0
495.70480	1.6
560.51764	1.5
753.15863	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	775.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99922	0.4
55.01877	2.1
57.03453	7.2
59.01378	6.2
65.03976	0.4
69.03435	3.2
71.01378	14.4
71.05003	3.8
73.02933	3.5
81.03444	6.7
83.05013	13.3
84.02151	0.6
85.02969	0.7
85.06584	1.8
87.04499	0.5
89.02431	0.8
95.05025	0.9
95.33081	0.5
97.06570	2.7
99.04503	9.9
99.08176	1.5
101.02435	0.4
105.78992	0.5
107.05015	0.8
109.02965	0.5
109.04044	0.4
109.06569	3.2
111.08149	14.9
113.06123	0.4
121.02946	0.9
121.06595	0.6
122.03653	0.4
123.08141	2.0
125.09710	0.7
135.08205	0.5
137.02458	0.5
137.09726	1.7
139.07620	0.8
139.11281	0.9
141.09189	0.7
149.02472	1.6
150.03218	4.2
151.00322	0.5
151.11276	3.9
155.07133	30.5
165.05553	4.6
165.09326	0.5
166.02695	1.7
167.10870	0.4
169.12344	1.8
177.12920	1.0
181.05040	1.7
185.13408	0.5
187.09688	0.6
191.14395	1.9
195.06606	1.0
195.10280	0.5
195.13882	0.9
200.51834	0.5
203.14447	2.1
209.15500	0.7
212.51337	0.4
213.64561	0.4
217.77750	0.4
221.15457	2.6
239.12881	2.6
239.16531	4.0
253.14455	1.9
265.14438	4.3
281.14032	0.9
282.14322	0.6
283.15509	100.0
284.15857	1.0
287.87625	0.4
311.09134	0.9
326.11667	0.5
341.13702	0.8
359.15012	0.7
383.42401	0.5
417.15619	0.9
495.15430	0.5
565.20593	1.5
605.96381	0.5
613.23590	0.6
659.36731	0.5
661.78320	0.5
731.38733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43591	2.5
59.01396	26.1
61.98835	6.0
66.44894	2.9
71.01407	15.5
72.29023	2.9
83.05045	7.0
97.02999	6.1
97.12535	3.5
99.00970	3.3
109.06609	37.8
116.92836	6.0
134.08379	3.1
163.11340	17.3
163.47929	3.2
168.24547	3.1
181.12376	5.0
202.52554	3.8
207.10291	100.0
209.11882	6.3
225.11356	52.0
253.09393	7.9
277.21747	73.1
385.46289	3.1
461.20590	19.7
721.41644	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	772.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
55.18417	1.0
58.00613	1.3
59.01383	75.1
61.98828	1.7
68.75336	1.0
71.01383	35.8
71.19868	1.0
72.99317	1.5
83.01357	1.3
85.02958	8.0
89.02439	43.3
92.10098	3.5
101.02444	19.8
113.02460	13.2
117.52658	1.4
119.03513	15.4
151.16098	1.3
179.05705	9.1
225.22281	18.8
253.21779	4.4
271.22830	2.6
278.24899	6.9
296.25934	6.7
510.25958	1.3
532.47449	27.1
550.48364	9.2
712.53821	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	773.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	21.4
59.01397	0.7
60.99335	0.7
61.76836	0.5
63.44989	0.4
79.65191	0.5
97.06594	12.4
101.93861	0.5
107.69227	0.5
114.39032	0.5
123.08197	0.8
124.51539	0.5
125.09745	5.4
131.11444	0.6
137.09784	1.0
161.52893	0.7
163.11182	0.6
165.09113	0.5
165.12952	0.7
189.16518	3.4
191.14476	2.2
207.17584	100.0
208.17876	4.9
225.18605	1.2
249.15070	2.0
251.16574	30.3
251.19205	1.0
252.17015	0.9
448.90900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82311	0.2
57.03443	1.0
59.01373	0.8
59.16082	0.2
63.73272	0.2
65.00320	0.3
67.01935	0.2
70.72295	0.2
71.01399	0.2
79.86436	0.2
81.03441	3.1
83.01382	2.6
93.03417	0.4
95.05032	0.3
97.02898	0.3
105.03432	0.2
107.01369	0.8
107.05022	0.7
109.02938	0.2
123.04508	26.4
125.02429	17.0
129.60902	0.2
139.04001	0.2
149.02431	2.3
149.06078	2.4
151.00356	2.4
151.03989	0.2
163.03941	0.7
164.12970	0.1
167.03485	100.0
168.03865	0.3
173.04506	0.3
179.03546	0.2
191.03488	0.9
193.03294	0.4
193.05055	11.1
194.68472	0.2
196.86247	0.2
209.04544	0.4
211.06122	7.4
215.09325	0.8
229.21339	0.2
247.48860	0.2
250.06610	0.2
293.04590	0.2
329.08798	10.0
337.09402	0.3
355.10526	0.6
373.11389	8.4
554.70007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46959	0.4
55.01890	3.3
57.03451	3.0
58.00604	1.0
59.01383	59.2
64.90707	0.5
71.01379	55.8
72.99303	2.6
73.02938	10.5
83.01392	4.6
85.02946	20.3
87.00893	2.4
89.02438	31.0
95.01381	5.6
95.05011	2.3
97.02954	6.9
99.00849	4.8
101.02444	26.1
107.05027	0.6
108.05804	2.7
109.06621	1.2
113.02451	19.9
113.06056	4.3
119.03490	7.6
122.03769	0.8
123.08145	3.3
125.02433	2.9
125.06076	3.9
135.08173	0.7
136.05302	3.0
137.06079	0.8
138.06871	26.0
139.07658	8.8
143.03519	2.6
148.18900	0.6
149.04604	0.7
149.06129	1.2
151.03995	0.6
151.07655	21.2
152.04762	2.5
152.08441	29.6
153.09221	100.0
154.09557	1.0
159.02966	3.3
161.04567	20.0
161.09689	0.8
163.11288	2.5
164.12175	0.5
165.09171	2.2
167.07184	0.7
179.05592	4.5
187.11395	0.6
190.10004	3.2
192.08047	0.9
196.74519	0.5
201.72795	0.6
205.12354	39.7
223.13420	32.0
223.15593	1.4
385.18735	69.3
510.71057	0.6
656.60895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
59.01371	6.8
63.83175	0.7
71.01391	4.5
71.80646	0.8
79.81532	0.9
80.02650	1.1
81.03452	1.7
83.05029	7.4
84.02145	1.2
85.02943	1.3
89.02447	2.0
95.05038	1.3
96.96014	1.8
100.67709	0.9
101.02430	3.9
104.89230	0.9
107.27930	0.9
113.02473	1.5
125.09729	1.2
127.07632	2.1
133.74809	1.0
144.06853	0.9
153.09225	5.6
163.11243	5.8
165.12860	3.5
171.10257	11.3
178.09944	0.9
185.11833	3.7
197.11792	4.6
209.11826	100.0
215.19484	1.0
219.13992	1.2
227.12891	6.0
235.08316	1.9
239.53423	0.9
245.19037	1.1
253.09317	2.4
267.15942	2.1
289.18097	8.4
307.19116	31.2
325.20129	9.7
340.48480	1.0
390.88071	1.1
531.45740	1.1
543.27948	7.7
561.28723	1.4
639.26544	1.0
663.65509	1.0
735.39404	1.8
753.40784	2.2
771.43225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
61.98843	5.3
95.73960	1.3
119.46863	1.3
134.92485	1.3
148.58681	1.3
233.15660	1.3
279.23318	100.0
280.23489	2.8
282.62372	1.3
297.27878	1.5
378.93793	1.2
402.85385	1.2
451.90018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81324	1.1
57.03450	1.4
65.00328	14.6
65.77395	1.2
70.99926	1.2
81.82500	1.4
83.01400	8.7
95.01390	1.5
107.01405	27.6
109.02973	8.4
123.00826	1.7
123.04488	5.4
125.02457	14.5
137.02458	5.4
149.02457	10.0
151.00375	100.0
151.03995	16.8
152.01187	11.3
159.04582	1.8
164.01155	1.7
166.02721	21.0
167.03523	13.7
169.01460	3.2
175.00310	1.5
175.04066	1.5
178.99875	13.0
179.03413	1.5
187.03975	6.4
189.05405	1.8
191.03511	2.0
192.00662	5.4
193.01485	1.7
203.03432	1.5
203.07205	1.8
214.02669	1.6
215.03548	16.0
227.03531	1.9
245.08185	2.9
273.03934	2.4
283.02505	2.2
289.07266	20.0
301.03589	53.3
329.08936	2.3
355.06866	10.0
481.09903	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03453	0.5
59.01368	1.1
67.39208	0.5
71.01389	0.5
78.88474	0.6
93.03452	0.6
117.42570	0.5
121.02927	6.8
125.02459	2.2
134.03587	0.5
135.04501	2.5
137.02449	0.7
137.06044	7.9
149.02431	72.3
150.02753	0.7
151.03989	0.7
152.01120	4.1
163.03987	3.7
164.04778	70.5
165.01941	1.1
169.05066	1.3
172.27144	0.5
177.01938	0.7
179.07121	25.3
191.05585	0.8
193.01408	10.2
208.03758	31.7
223.06108	100.0
224.06512	1.0
230.00258	0.6
265.07242	1.0
289.07236	0.8
299.01926	0.8
365.15277	0.6
385.11417	9.7
609.14471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55857	2.3
56.38370	2.3
59.01390	25.8
61.98841	16.0
68.92818	2.7
80.96521	3.2
85.03039	3.1
92.10860	2.6
116.92930	3.6
156.82031	2.7
183.13881	2.9
205.94330	2.6
211.13416	94.3
216.45375	2.6
235.76436	2.6
253.21809	3.0
277.21741	100.0
286.37112	2.8
358.75342	3.0
439.21722	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	767.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96051	0.3
59.01396	0.8
61.93192	0.4
61.98834	2.1
92.10027	0.6
96.02010	0.5
97.02940	0.4
103.94101	0.3
116.92868	0.8
182.94185	0.4
233.15405	0.5
261.66235	0.5
277.21753	100.0
278.22122	3.4
279.22534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
60.99310	19.5
61.98843	4.0
70.17353	1.1
88.00436	1.4
88.98802	100.0
89.02426	8.6
94.46182	1.1
118.33132	0.9
186.73105	0.9
283.19159	5.0
636.96423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44436	0.2
59.01377	2.4
71.01387	1.4
71.05070	0.2
73.02940	0.4
76.58754	0.2
77.90707	0.2
79.21487	0.2
80.02683	1.4
81.03473	0.5
83.01387	0.3
83.05029	5.4
83.05476	0.3
84.02176	0.5
85.02978	0.4
87.00909	0.2
89.02443	1.3
95.05003	0.5
97.06612	0.3
101.02437	2.1
109.06625	0.4
113.02464	0.5
119.03506	0.4
125.02412	0.3
125.06110	1.0
147.11853	0.3
161.04625	0.3
163.11285	5.2
165.12889	2.4
171.10271	0.5
181.12390	1.0
184.06789	0.3
191.10776	0.9
209.11867	100.0
210.12238	1.1
211.79259	0.3
227.10657	0.3
227.12923	10.0
235.08241	0.9
251.12852	0.3
253.09328	4.8
399.32410	0.2
445.20847	3.0
603.33942	0.5
637.32660	0.8
666.33844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11996	0.6
59.01403	3.2
61.98843	3.5
63.70566	0.5
63.96246	1.1
69.42930	0.6
71.01386	10.2
73.02962	3.2
78.98589	9.3
79.95731	18.0
80.96514	100.0
81.03465	0.8
85.02969	3.7
87.00900	3.7
89.18178	0.6
94.98077	23.0
96.95995	0.9
97.02957	2.6
101.02454	3.3
106.98081	5.8
113.02524	0.8
116.75608	0.7
116.92893	1.3
119.87054	0.7
122.97579	5.0
125.02435	4.8
134.97586	8.0
136.99144	1.5
148.99152	10.3
152.98633	9.5
160.68306	0.7
164.98630	20.8
206.99695	4.0
207.26401	0.9
209.11824	1.0
225.00754	31.6
255.23323	3.3
283.04822	0.9
430.31351	0.8
509.17218	2.8
537.27240	1.5
765.41064	79.3
766.41711	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	764.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.9
61.98827	18.1
71.01392	1.9
78.95889	21.8
80.96536	14.3
83.05045	11.6
84.02172	2.0
99.80150	1.6
113.25691	2.1
125.09776	3.0
163.11279	8.6
165.12845	3.7
168.04257	3.2
209.11850	100.0
224.06975	3.0
225.00714	2.5
226.12257	1.7
227.12880	6.8
241.14465	10.7
255.23320	87.5
538.37292	2.0
685.11041	1.8
690.43652	78.9
691.44379	2.3
704.45111	3.7
740.17249	1.9
765.40912	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	761.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
60.92912	0.6
64.53859	0.7
70.17421	0.6
83.05051	0.7
84.82024	0.6
92.10109	2.7
93.03474	0.8
94.38693	0.7
109.02991	5.4
113.02441	0.9
121.02948	7.1
122.03707	1.4
123.00851	0.8
123.04510	3.5
125.02367	1.1
135.04521	1.5
136.01654	1.2
137.02444	28.5
138.03217	5.5
139.04041	2.9
147.00882	3.9
148.01685	4.7
149.02509	5.5
150.03217	1.0
151.03996	4.9
152.97821	0.8
153.05583	3.4
154.11043	0.7
161.02451	1.4
161.06107	5.0
162.03203	3.7
163.04013	11.1
164.01143	3.0
164.04797	8.6
165.01941	100.0
166.02733	1.5
173.15787	0.7
175.04056	5.8
176.04854	3.0
177.01915	4.8
177.05605	6.7
179.03517	19.6
179.07137	9.7
180.04292	57.3
181.05040	3.1
189.05627	3.4
190.06340	4.6
191.05513	0.9
191.07094	7.2
192.04263	3.2
194.05807	4.5
195.02982	3.3
195.06645	62.5
203.07028	0.8
205.05032	0.9
206.05847	5.6
207.06657	1.7
210.05391	11.3
211.06044	1.6
219.06699	1.1
220.07518	0.8
221.08226	1.2
225.07707	35.2
265.34735	0.8
267.15866	1.2
283.15570	3.0
287.12985	0.8
315.12448	7.0
329.13925	1.0
342.14838	1.2
343.11911	44.4
344.12543	4.2
357.13531	7.0
358.09860	1.7
358.14288	50.2
359.14938	6.9
372.15750	1.0
373.16638	58.9
374.17145	1.0
427.17648	8.4
440.18622	0.9
489.66586	1.0
536.20752	3.1
551.22906	37.6
552.23010	1.3
563.22931	5.7
581.24225	12.3
599.25159	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	761.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24069	0.3
56.88358	0.3
59.01388	0.8
67.22318	0.4
75.99061	0.4
77.85210	0.3
106.97817	0.4
157.29195	0.4
182.86185	0.5
191.14401	4.3
207.17633	0.8
209.15508	100.0
209.43094	0.4
210.15874	2.1
211.91327	0.4
245.06168	0.5
247.13422	0.4
251.16580	3.4
252.16927	1.8
253.14493	73.9
254.14861	0.5
337.74747	0.5
356.38019	0.4
416.81473	0.4
533.25787	0.9
551.26672	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29663	0.5
59.01378	1.1
59.55982	0.5
64.82628	0.4
65.00336	3.1
65.18436	0.5
70.65822	0.6
71.01397	0.8
83.01388	1.3
84.24385	0.5
91.43123	0.6
93.03454	24.5
96.96008	1.0
96.99306	4.5
105.53796	0.5
107.01408	7.4
109.02889	0.9
117.03426	1.1
119.05025	27.6
123.04539	4.8
125.02454	4.1
130.04259	0.8
131.05058	5.0
133.02982	4.9
135.04512	1.0
143.05046	19.1
145.02933	3.4
147.04597	0.8
149.02489	0.7
150.03232	7.9
151.00385	23.5
151.04031	4.6
152.01118	2.6
159.04579	0.7
163.04021	17.1
169.01407	0.7
171.04524	3.3
175.04068	1.0
176.99022	0.6
178.99896	3.1
211.07678	7.3
215.03465	0.8
217.05095	0.7
219.08131	1.4
221.09735	1.3
223.07787	1.1
235.07675	4.2
237.09224	7.7
265.08734	22.2
269.11905	0.6
275.05502	0.6
285.04083	14.3
287.10324	0.9
293.04568	0.7
303.05115	2.7
309.07813	6.0
327.08798	100.0
328.09000	0.8
372.55399	0.7
435.09430	15.7
528.28992	0.6
538.81952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.7
59.01384	3.1
66.37106	0.5
68.25455	0.5
69.03465	0.8
71.01378	2.4
72.99309	2.6
77.47670	0.5
81.03466	4.3
83.01371	5.2
85.02938	0.7
87.00876	0.7
89.02442	3.3
92.10809	1.2
93.03445	2.4
95.05013	7.2
95.25601	0.5
97.02943	10.1
99.04570	0.6
105.03437	0.6
107.05034	0.5
108.02148	0.9
109.02942	39.3
113.02486	0.8
121.02931	7.3
121.06577	0.6
122.03713	2.8
123.04512	30.1
125.02423	26.0
135.04500	3.6
137.02422	15.5
138.03204	0.9
139.03970	6.5
143.04990	0.6
145.02884	0.8
146.03735	1.0
149.02443	7.7
149.04469	0.9
150.03194	0.9
151.03999	13.5
157.06604	0.9
159.04529	4.0
160.05292	2.4
161.02399	2.3
161.06049	9.3
162.03175	2.7
163.03961	2.5
164.01123	3.6
165.01910	6.3
166.02753	0.6
167.03488	4.1
174.03181	0.7
175.03944	3.6
175.07590	3.2
177.05609	0.6
179.03487	8.0
185.06068	1.0
187.04021	6.7
188.04803	5.1
201.05537	0.8
202.06316	3.2
203.07140	18.6
205.05035	12.1
212.04823	0.9
216.87938	0.7
217.05103	0.7
217.08681	0.6
221.08167	5.5
227.07123	3.5
230.05670	0.8
245.08171	24.6
246.08492	0.8
247.06230	0.9
253.75803	0.6
257.10416	1.0
271.05957	0.9
289.07169	100.0
290.07489	0.8
293.10364	0.8
293.14899	0.7
436.79565	0.7
473.16669	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	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83020	57.3
59.01407	89.0
61.98834	81.8
63.92578	50.4
122.08910	62.9
124.43876	56.2
138.87752	55.9
161.69086	53.9
187.92693	59.4
251.69899	69.5
275.66977	62.9
293.82419	69.3
299.19513	59.0
757.39349	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	757.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71829	49.0
58.28530	42.7
59.01395	70.7
61.98830	100.0
65.05227	46.6
88.50418	55.2
92.10181	62.9
95.02700	53.0
125.13359	60.2
129.27168	51.4
155.52705	56.9
179.10802	56.9
237.34885	56.1
271.74686	54.2
331.46402	54.9
331.93594	62.5
778.94653	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	48.6
78.91778	12.5
92.10134	15.9
109.06589	18.7
125.82904	12.5
163.11183	11.5
189.09389	14.6
198.80717	12.0
207.10326	100.0
225.11292	22.8
251.14317	13.1
277.21777	85.6
342.73508	13.2
461.20145	19.9
508.54669	14.3
721.41528	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73810	2.9
59.01391	16.3
59.45993	3.1
61.98832	5.1
71.01374	63.6
74.53929	3.1
90.09762	2.9
101.50514	3.6
113.02454	3.5
114.93425	7.3
131.01900	3.2
163.11206	3.8
171.10254	38.8
176.84619	3.9
199.09712	4.0
207.10298	4.7
225.11244	3.9
235.17059	30.6
253.09319	4.4
277.21786	100.0
308.50372	3.6
520.66797	3.7
526.89142	3.6
733.54260	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	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73810	2.9
59.01391	16.3
59.45993	3.1
61.98832	5.1
71.01374	63.6
74.53929	3.1
90.09762	2.9
101.50514	3.6
113.02454	3.5
114.93425	7.3
131.01900	3.2
163.11206	3.8
171.10254	38.8
176.84619	3.9
199.09712	4.0
207.10298	4.7
225.11244	3.9
235.17059	30.6
253.09319	4.4
277.21786	100.0
308.50372	3.6
520.66797	3.7
526.89142	3.6
733.54260	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	759.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32006	0.2
57.03438	0.9
57.43480	0.2
59.01385	2.6
65.00336	0.5
68.85624	0.2
71.01395	0.6
75.66496	0.2
79.03313	0.2
81.03445	2.2
83.01379	2.5
87.00911	1.7
89.02473	0.5
92.39861	0.2
93.75397	0.3
95.04975	0.3
97.02958	0.3
107.01418	0.3
109.02919	0.3
111.70320	0.2
113.02482	0.3
120.26992	0.3
123.04532	25.0
125.02452	17.7
133.06622	0.3
149.02451	2.5
149.06100	2.9
151.00381	2.5
151.04050	0.4
164.04767	0.5
167.03510	100.0
168.03880	0.3
179.03386	0.3
191.03517	0.5
193.05092	11.2
195.06665	1.2
196.06989	0.4
208.03848	0.6
209.04665	1.1
211.04140	0.4
211.06152	8.5
215.02049	0.3
223.06120	1.2
283.08264	1.3
284.08371	0.3
329.08810	12.9
355.10547	0.4
357.11923	1.3
373.11429	12.8
382.88718	0.3
592.14856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78797	0.1
53.81250	0.1
57.03455	0.1
58.78972	0.1
59.01377	0.9
66.48384	0.1
67.01897	0.3
70.97099	0.1
71.01398	0.7
73.02986	0.1
83.05070	0.2
85.02967	6.1
87.00890	1.7
87.60342	0.1
93.03463	2.7
93.04016	0.2
99.04525	0.2
101.41763	0.1
105.03502	0.2
109.02971	0.5
111.04498	0.8
127.04008	1.8
133.02962	1.8
134.03682	0.2
135.04535	0.4
137.02470	0.2
149.06096	0.1
155.03474	0.4
161.02452	2.8
171.03026	0.5
173.04533	1.5
178.02614	0.2
179.03485	0.4
191.05638	100.0
192.06001	0.6
193.05104	0.7
241.15596	0.1
250.56418	0.1
337.09354	0.1
353.08838	14.3
412.38040	0.1
478.28186	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03466	0.9
59.01385	19.7
59.11349	0.6
69.13682	0.7
71.01383	12.8
72.99317	0.9
73.02965	5.6
83.79033	0.7
85.02955	10.7
87.04532	4.5
89.02441	6.4
95.01377	2.9
95.05006	0.8
97.02956	1.0
97.06572	0.8
101.02435	5.5
107.05070	0.8
109.06603	2.9
111.04541	1.3
113.02460	24.2
119.03541	1.2
125.06112	3.7
133.10245	1.8
135.08177	3.3
135.11812	19.5
139.07643	0.8
159.08154	4.0
159.11800	5.5
161.04562	3.6
161.09734	15.9
164.04796	1.0
175.11362	1.5
177.12842	6.6
179.10788	100.0
180.11250	0.8
193.12384	3.6
202.57605	0.7
203.10809	3.4
205.08728	4.6
205.12312	0.9
221.11836	8.1
223.09790	75.1
224.10139	0.8
251.12924	0.8
265.10837	15.2
266.22253	0.8
267.10187	0.8
295.11935	3.7
309.16940	0.8
325.13010	6.6
385.15097	18.7
414.31705	0.8
532.81146	1.0
639.00092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76558	2.6
59.01381	15.7
59.71449	2.6
61.98837	15.8
65.57452	2.7
76.74937	2.4
83.05037	4.0
87.00828	2.8
107.73504	2.5
111.15687	2.6
169.12332	39.8
171.10278	12.7
172.11665	2.8
173.60812	2.5
253.09373	4.3
277.21750	100.0
357.70990	3.2
490.39648	3.1
513.31067	3.5
709.41418	6.7
727.42682	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	755.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47481	0.5
64.26315	0.5
66.36670	0.5
70.52099	0.5
89.70023	0.6
116.92870	0.5
140.75414	0.5
141.37070	0.5
147.67734	0.6
209.15570	0.8
217.16153	0.8
233.15477	1.1
243.43102	0.6
264.73929	0.5
283.26447	100.0
284.26782	1.3
324.68564	0.6
365.52747	0.6
419.50961	0.6
520.11365	0.7
660.39606	0.7
746.84650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	77.2
66.59928	0.8
67.35036	0.8
68.79569	0.7
69.03424	1.0
71.09954	0.9
94.04213	2.2
96.95978	3.1
108.02154	4.4
109.02943	1.1
110.60053	1.0
113.02439	1.0
121.02919	5.3
122.03723	5.2
122.07395	1.2
123.04530	1.0
123.08133	1.0
124.68914	0.8
135.04480	1.0
136.05305	2.2
136.51506	0.8
137.02478	1.1
137.09702	100.0
138.10039	1.0
149.09705	14.9
165.09276	0.9
166.72879	1.0
187.09770	1.7
189.12846	1.9
190.06375	1.0
191.07062	1.6
207.13896	27.0
209.11830	1.4
251.12868	4.2
268.19446	0.9
289.78864	0.9
313.10843	1.7
328.13132	22.1
329.13306	1.1
343.15503	98.3
343.91818	0.9
364.63025	0.9
365.63013	0.9
365.67618	0.9
505.21109	3.8
713.37805	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	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49746	0.6
56.31498	0.7
57.03473	3.5
59.01394	7.1
61.98832	1.5
66.14018	0.8
67.64880	0.8
68.56781	0.7
71.01405	3.1
73.02956	1.5
80.02682	1.0
81.03465	1.1
81.48207	0.7
83.05025	5.8
84.02192	0.8
89.02443	1.4
92.65183	1.0
95.05048	1.0
95.46559	0.8
101.02479	1.9
120.72724	0.9
125.32046	0.7
149.70935	0.9
161.04517	0.8
163.11371	6.1
165.12852	3.8
181.12398	1.0
189.16541	0.9
195.13942	1.4
207.17596	5.2
209.11858	100.0
210.12263	0.9
211.13333	1.2
221.15588	0.9
227.12955	9.8
235.08215	1.3
247.20676	1.2
251.16469	1.4
253.09250	5.6
291.19720	14.8
309.20786	32.9
450.00302	0.9
463.62061	1.1
545.29846	1.2
772.12720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76558	2.6
59.01381	15.7
59.71449	2.6
61.98837	15.8
65.57452	2.7
76.74937	2.4
83.05037	4.0
87.00828	2.8
107.73504	2.5
111.15687	2.6
169.12332	39.8
171.10278	12.7
172.11665	2.8
173.60812	2.5
253.09373	4.3
277.21750	100.0
357.70990	3.2
490.39648	3.1
513.31067	3.5
709.41418	6.7
727.42682	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60210	0.6
54.83044	0.7
55.25643	0.7
55.69648	0.7
59.01383	8.9
59.15404	0.7
61.98842	0.9
65.48833	0.8
69.03468	1.2
71.01366	6.2
72.09705	0.8
73.02945	1.4
78.56965	0.8
80.02703	1.0
81.03455	1.0
83.05027	6.6
85.02963	1.3
89.02452	3.9
89.56091	0.9
91.34383	0.9
97.02976	1.0
97.06617	1.6
101.02450	5.3
112.42436	0.8
113.02505	1.5
113.09729	3.3
115.07655	1.8
135.08218	1.4
137.09724	1.7
141.09267	1.4
153.12704	0.8
155.69751	0.8
161.04547	1.4
163.11278	4.4
165.12885	7.4
167.14456	3.0
177.55659	0.8
179.05688	1.1
181.12411	4.1
193.12376	4.6
195.13928	2.0
209.11859	92.8
211.13446	5.3
221.15407	1.0
227.12883	13.1
235.08235	1.1
240.13626	1.6
247.20659	6.2
249.15048	3.2
251.16525	3.8
253.09227	8.4
254.64166	0.9
273.18661	3.4
281.21317	1.6
291.19696	49.5
291.47461	0.8
307.19235	1.0
309.20755	100.0
310.20941	1.1
527.28442	1.6
545.29736	17.8
737.41022	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	753.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.7
61.98831	8.4
61.99118	1.4
78.74486	1.2
85.43681	1.3
113.02433	1.9
144.54562	1.3
169.12343	2.9
197.11847	60.4
235.08174	2.5
253.09259	5.1
258.49112	1.8
277.21747	100.0
523.78821	1.6
550.20416	1.3
611.07703	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	755.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
58.66903	0.2
59.01381	22.2
63.12299	0.2
71.01347	0.9
73.02933	2.2
80.35146	0.2
83.01382	0.3
85.02948	0.6
89.02431	0.6
101.02422	0.3
107.01431	0.3
113.02462	0.5
123.04562	0.3
139.11293	23.4
147.00877	0.3
151.00371	1.8
163.11331	1.0
165.05521	0.3
165.09184	0.5
167.03481	0.5
173.43675	0.3
178.99850	0.6
181.12343	14.1
183.10265	31.7
187.62939	0.2
199.13426	5.1
207.10242	0.3
225.11349	10.2
243.12379	100.0
244.12837	0.5
249.11320	0.5
271.02560	3.0
285.13470	2.0
299.01984	0.4
300.02829	1.2
331.04773	0.6
405.17697	30.9
545.89825	0.3
605.93225	0.3
681.93823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.0
59.01388	74.7
67.33979	0.7
71.01379	16.4
71.57272	0.7
85.02959	3.9
89.02448	15.1
89.48174	0.8
92.34201	0.8
99.04511	9.6
101.02442	7.4
109.02971	2.0
109.06641	1.1
113.02486	7.9
119.03490	4.6
125.02435	2.0
137.09726	1.1
138.87920	0.8
150.03235	1.0
151.00349	3.0
151.04059	1.4
155.10785	18.8
165.12914	5.8
183.82365	1.0
191.05626	3.6
199.09799	13.8
207.13939	13.5
209.11870	36.7
225.14999	9.1
249.11491	0.8
251.12901	6.5
269.13983	58.4
285.04105	1.9
299.01764	1.1
309.94302	1.0
317.03241	1.5
361.15115	1.1
391.15970	1.4
412.25989	0.9
449.20367	100.0
708.60730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
61.98835	100.0
66.92477	0.2
71.01398	0.3
73.08123	0.2
75.61054	0.2
76.58826	0.3
84.56381	0.2
97.70027	0.2
131.85275	0.2
154.52020	0.2
166.52847	0.2
194.82491	0.2
207.08246	0.2
207.10271	0.3
209.11838	0.5
216.67036	0.3
216.69330	0.2
237.98264	0.2
336.36401	0.2
353.58243	0.3
364.55038	0.3
547.16107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28477	2.2
55.23273	2.2
55.58165	2.3
57.03465	4.4
58.35446	2.2
59.01387	63.5
64.49673	2.7
65.00334	19.7
70.10671	2.8
71.01390	45.0
73.02944	4.0
79.88301	3.8
83.01388	11.3
83.05028	47.7
85.02964	6.3
87.00884	19.0
89.02438	46.9
97.38400	2.8
100.67062	3.1
104.78427	3.3
107.01383	35.5
109.02938	4.3
123.04549	3.8
125.02446	19.5
135.04471	3.9
150.03218	27.8
151.00375	100.0
151.04013	26.9
152.01117	18.4
153.98219	2.9
155.10785	3.5
160.44417	4.0
175.04047	4.1
177.01903	3.5
177.03307	3.2
178.99878	14.1
201.07697	14.7
213.11319	50.9
222.04753	2.6
241.05098	4.3
243.12344	5.9
256.06155	3.0
285.04092	46.4
299.15051	13.2
303.05148	12.7
317.16159	52.6
435.09473	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	23.0
59.80357	11.3
69.58038	9.8
71.01382	19.2
82.48689	9.9
89.02442	18.8
89.14648	9.9
104.01228	10.4
158.39447	11.6
188.34087	10.4
234.03130	11.3
270.52576	11.2
326.70618	11.9
344.76706	12.4
359.84958	11.9
501.38248	12.6
712.53931	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	749.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29477	0.7
59.01381	24.6
59.01651	1.3
69.03445	1.0
71.01379	16.6
72.99325	0.9
73.02956	2.9
78.24502	0.7
83.01417	1.7
85.02970	4.9
85.66958	0.6
87.00890	3.0
89.02447	14.4
92.66235	0.9
94.78416	0.8
95.01421	0.9
95.05038	0.9
97.02958	2.9
99.00861	0.8
101.02446	12.4
113.02461	4.6
119.03522	3.1
121.79873	0.7
125.02472	4.7
127.03932	0.8
129.43961	0.7
131.31532	0.9
143.03462	1.0
143.59959	0.8
146.09290	0.8
161.04657	2.1
163.11340	1.2
165.12865	20.1
179.05547	1.2
195.70769	0.8
209.11830	1.2
235.08276	4.2
238.51515	0.8
238.53978	0.8
247.20612	12.8
253.09384	1.3
273.18677	6.2
291.19699	100.0
292.19989	1.1
305.08701	1.3
361.27332	0.7
397.13574	38.6
415.14648	21.3
599.15186	0.9
624.86053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84057	0.4
57.03457	3.8
57.85046	0.4
59.01387	2.0
61.63007	0.5
69.03451	5.0
71.01399	0.6
71.05017	11.4
81.37562	0.5
83.05045	1.2
90.51254	0.5
93.07094	2.0
95.08674	0.9
96.96047	0.8
97.02974	0.9
97.06594	1.0
97.83499	0.5
99.04522	0.7
109.06626	0.9
115.04006	27.9
121.06566	0.7
123.06345	0.6
126.99699	0.5
127.07645	5.9
135.60918	0.6
139.07652	23.4
151.00372	0.7
153.09161	1.1
157.08693	10.0
161.06073	0.8
165.12856	1.2
179.07069	0.9
180.07913	6.2
185.97375	0.6
192.08038	0.6
194.05911	0.8
195.06689	0.6
197.08192	1.2
212.07016	0.6
227.12909	100.0
228.13203	1.1
243.03137	0.6
243.12486	0.6
255.03059	2.3
271.02579	4.5
299.15027	1.1
300.02744	5.1
301.03470	3.2
302.03473	0.8
313.93494	0.6
316.12982	0.7
328.13196	0.9
331.15509	4.7
343.15509	2.2
361.16479	13.7
463.08990	4.8
464.09055	0.9
465.09518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01521	2.0
59.01391	26.0
59.72890	1.8
71.01416	13.7
76.57957	2.6
77.30879	2.1
87.13079	2.2
89.02463	13.6
94.09514	2.6
95.93079	2.3
96.75259	2.3
101.02460	4.8
102.63503	2.3
113.02436	3.2
119.03492	5.2
162.96201	2.8
176.31393	2.2
180.34233	2.2
184.36118	2.3
225.22328	3.8
231.73203	2.3
286.52921	2.4
287.07642	2.6
312.73755	2.3
484.99561	2.7
525.85571	2.6
532.47705	15.5
550.48450	5.6
655.73560	2.8
692.42932	2.6
712.53705	100.0
748.51819	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	747.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
59.01388	41.5
61.98870	1.0
71.01388	23.5
73.02961	4.3
83.01405	1.9
83.05030	13.6
85.02950	8.0
87.00895	4.5
88.21800	0.8
89.02444	22.4
93.03473	4.7
96.30322	0.8
99.00886	1.0
101.02444	9.9
102.20563	0.8
102.81383	0.9
108.02187	5.8
109.02943	1.3
113.02448	5.7
119.03535	1.7
121.02975	9.9
122.03728	12.7
125.02451	1.4
128.80527	0.9
131.03505	4.1
133.02980	3.6
134.03714	1.0
135.04543	1.8
137.02505	1.8
145.02924	1.7
149.02454	29.9
149.04550	6.6
149.06134	1.2
150.03236	100.0
151.00397	4.0
151.03967	1.2
152.01178	3.9
153.01855	0.9
156.14194	0.8
159.03140	0.9
161.02449	3.8
162.03233	15.7
163.04100	1.0
164.04762	4.4
165.05573	75.5
166.02832	0.7
166.06158	1.2
168.47968	0.8
175.04144	2.7
177.05577	8.4
179.05513	1.0
180.04366	9.4
183.10286	3.4
183.13831	1.2
190.06395	1.9
191.07205	1.0
195.06648	33.0
205.08678	1.5
207.10326	1.2
211.07495	1.1
239.12933	1.0
243.12454	2.0
269.08206	5.5
283.09735	1.6
295.06274	1.9
295.09451	1.0
297.07803	1.4
298.08099	1.1
299.09229	4.2
301.03589	4.7
310.08420	1.2
311.09338	6.6
314.11401	6.4
325.10858	1.9
326.11569	4.2
329.10535	1.7
329.14001	10.2
341.10382	1.8
341.13928	6.5
344.12738	4.0
356.12726	1.4
358.10291	0.9
359.14984	13.7
399.13013	3.5
463.08832	1.7
465.56461	0.9
465.62933	1.1
503.15613	1.9
506.17712	4.1
507.19739	1.1
519.20331	1.3
521.20422	13.2
533.20428	10.5
537.21533	3.6
585.23383	8.8
669.25500	1.8
681.25616	12.6
687.26648	1.5
699.26678	18.8
747.28735	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	748.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63971	1.3
59.01396	15.2
61.98839	80.6
66.24358	1.7
71.01384	10.8
71.13589	1.8
75.45581	1.7
80.70370	1.5
83.01411	1.8
83.05053	2.0
85.02972	6.2
87.00895	1.6
89.02457	7.7
90.66215	1.5
92.10159	3.1
93.03461	2.2
101.02451	3.7
106.69258	1.5
108.02172	2.4
113.02436	2.6
121.02992	5.6
122.03754	11.7
127.47125	1.7
133.02959	28.4
134.03745	2.6
135.04526	38.5
137.02415	3.7
149.02458	18.5
149.06105	2.4
150.03246	78.3
151.03542	17.2
161.02451	100.0
163.04045	1.5
163.97585	1.6
164.04776	3.1
165.05574	65.1
166.05914	17.2
177.05507	2.5
179.03511	20.7
180.04378	5.0
180.07906	17.6
190.06393	3.7
192.07816	2.3
194.05687	1.8
195.06628	31.4
196.06932	7.7
201.88387	1.4
214.07349	1.7
221.04605	2.6
323.07751	27.1
328.13068	1.8
331.15430	7.7
341.10168	2.5
342.10974	1.9
343.15549	2.2
344.12509	2.7
349.66351	1.5
359.15091	9.9
360.15387	6.6
361.16559	6.7
507.18542	1.9
512.62848	1.7
520.19574	2.2
521.20654	2.9
522.20514	5.9
528.27814	1.7
534.21082	5.4
586.23541	9.2
682.25659	7.6
685.25128	55.3
700.26599	6.4
735.12091	1.8
748.29242	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	747.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
56.95395	0.8
57.03447	0.8
59.01377	47.9
71.01376	18.5
72.99309	1.1
73.65982	0.8
83.01388	1.6
85.02956	5.6
89.02427	24.4
95.01413	1.1
101.02428	15.9
104.18475	0.8
109.02928	3.4
111.04480	1.1
112.72518	1.2
113.02431	7.5
119.03481	9.2
123.04507	1.1
123.08162	4.1
124.24939	0.9
125.02451	1.2
126.15722	0.8
171.11765	4.8
189.12830	10.4
203.07166	1.0
233.11829	1.2
277.10794	5.2
289.07196	3.4
293.53558	1.0
295.50940	0.8
335.08163	0.8
457.17175	100.0
458.17209	1.5
459.10593	0.9
516.36005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33627	0.7
55.01886	1.6
57.03439	0.7
58.00600	1.9
59.01384	38.6
61.98825	0.8
69.63615	0.8
71.01384	17.4
72.99294	1.1
73.02953	1.4
74.49820	0.8
83.01381	1.8
83.05023	15.5
85.02953	6.9
87.00906	1.4
87.90580	0.7
89.02441	17.7
92.10242	1.6
93.03465	2.0
96.96005	0.9
97.50096	0.8
101.02420	9.0
104.34007	0.8
108.02174	4.0
109.02980	0.9
111.00867	1.0
113.02451	5.2
119.03466	1.1
119.05033	1.2
121.02933	8.4
122.03737	15.3
131.03487	3.2
133.02939	1.6
134.03728	1.4
135.04515	1.8
136.01645	1.6
137.02499	1.2
147.04504	1.0
149.02454	24.0
149.04547	3.8
149.05925	0.8
150.03233	100.0
151.00386	3.5
151.03937	1.9
152.01134	3.9
160.14464	0.9
161.02425	1.5
161.05968	1.2
162.03271	9.8
164.04820	2.1
165.05574	80.9
175.04053	3.3
177.05573	5.2
180.04245	8.6
183.10178	1.4
183.13829	1.2
189.05672	1.5
190.06358	4.3
191.07130	1.8
194.06067	1.0
195.06645	30.3
195.08266	1.2
205.08711	1.9
208.07469	2.0
223.09946	0.9
227.68202	1.1
239.12939	1.9
243.12326	1.4
269.08170	3.9
283.05978	1.2
295.06155	1.2
296.06833	1.4
298.08496	1.4
299.09348	4.6
301.03555	4.1
310.08768	1.1
311.09210	5.9
313.10812	1.2
314.11572	4.5
325.11057	1.2
326.11612	4.6
327.12079	1.0
329.13989	4.8
341.10315	3.2
341.14093	3.5
343.11896	1.5
344.12695	3.7
349.05795	0.9
349.64520	0.9
356.12689	1.7
359.15063	14.9
371.15219	1.9
399.12967	1.7
503.15649	2.0
505.16840	1.2
506.17728	2.1
519.20496	1.3
521.20386	12.4
533.20239	13.8
537.21216	3.8
585.23444	8.5
669.24817	1.6
681.25500	9.8
687.26331	1.1
699.26898	15.7
716.20087	1.0
747.28845	9.5
771.32361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	56.0
70.91766	12.2
76.58118	12.2
83.19272	11.9
112.77780	13.5
116.92883	19.1
152.11772	14.5
215.80460	14.5
253.21864	100.0
255.23270	59.8
277.21494	16.7
394.37009	14.3
624.17865	17.7
726.93079	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	743.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
73.79558	0.7
83.23741	0.6
90.26133	0.6
98.76972	0.7
103.69324	0.6
116.92853	0.9
138.60793	0.6
155.48950	0.6
219.88995	0.7
255.23328	100.0
256.23483	0.8
289.50299	0.7
493.58521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23144	1.2
53.69493	1.0
55.97200	1.2
59.00410	1.2
59.01378	98.4
61.38797	1.2
76.82829	1.5
89.13989	1.6
112.01524	1.4
115.02511	1.9
117.00435	6.5
140.84900	1.4
157.03520	2.1
159.01482	46.5
160.01622	8.9
161.01268	8.5
174.99240	25.9
176.98126	8.5
201.02548	26.1
202.02704	3.4
217.00304	100.0
218.00566	6.4
301.02609	15.6
302.02951	5.3
303.02277	11.5
317.00406	9.4
318.99930	8.5
343.03665	1.6
359.01282	10.4
360.01859	2.3
361.01373	2.0
442.24512	1.5
460.44568	1.5
461.01495	2.5
495.65323	1.7
541.00793	2.2
542.00800	2.4
543.00281	14.7
590.39679	1.6
607.01123	1.8
728.99445	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38405	0.9
56.57595	1.0
57.03429	0.9
59.01385	16.0
68.99819	5.5
71.01382	6.6
85.25614	0.9
89.02439	6.4
93.03462	3.8
95.01382	1.4
96.96002	1.3
101.02406	2.1
108.02173	13.2
113.02439	1.0
117.03484	1.2
119.03468	0.9
121.02941	13.7
122.03735	15.9
123.00851	1.4
123.04487	12.5
132.02203	2.1
133.02959	2.1
135.04518	8.2
136.01639	10.3
136.05287	4.2
137.02408	2.0
138.03220	3.8
147.04503	1.6
149.02437	38.6
149.06052	2.0
150.03220	100.0
151.00380	2.1
151.03998	13.6
161.02414	4.8
162.03186	15.8
163.03993	9.7
164.04779	8.0
165.01917	1.6
165.05560	79.1
165.09177	5.2
166.02704	7.2
167.03477	2.4
175.03940	4.8
177.05551	20.9
178.02701	13.4
179.03461	1.8
179.05647	1.5
180.04243	5.5
181.05042	11.1
189.05580	0.9
190.06320	5.6
190.39166	1.0
193.05072	21.4
195.06619	41.6
200.30461	1.0
239.13007	1.2
269.67303	1.2
270.08804	1.2
297.07721	1.2
325.07397	1.1
326.08057	1.2
328.12811	1.2
329.10281	2.0
341.10263	9.6
343.15643	4.3
356.12781	5.0
357.09811	8.9
366.30020	1.1
371.15021	2.3
372.12057	6.0
387.14471	20.8
401.13309	1.0
442.72165	1.1
497.34976	2.1
505.19489	1.9
535.11707	1.8
535.19800	45.0
565.20599	9.8
583.21777	14.9
734.26520	1.2
745.26929	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	745.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26526	0.3
54.49266	0.3
57.38856	0.3
61.63366	0.3
61.98827	0.4
67.36185	0.3
116.92849	0.6
150.23029	0.3
160.51794	0.3
255.23320	100.0
256.23645	3.7
370.43842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
59.01383	26.8
67.49039	0.6
71.01381	14.0
72.99322	1.0
73.02953	4.6
83.01401	3.7
85.02948	5.9
87.00880	1.5
89.02441	6.0
94.05536	0.6
95.01408	0.6
99.00880	1.1
101.02435	10.6
109.02993	0.7
113.02450	5.5
119.03512	0.7
121.02959	3.7
122.03745	0.6
136.97287	0.7
141.02090	0.6
142.68573	0.6
145.02974	0.9
159.04503	2.6
162.49832	0.7
171.85796	0.6
255.06448	0.9
263.07068	1.2
267.06644	2.8
268.07428	3.1
269.08148	5.4
270.08984	1.0
281.08261	9.8
282.08926	3.6
283.09833	6.2
293.08270	1.3
294.08817	1.0
295.09744	3.2
296.10651	0.8
297.11179	1.2
299.09174	5.6
311.09344	3.7
311.96204	0.6
314.07971	2.5
314.11649	8.7
315.12384	4.2
326.11630	12.4
327.12494	6.7
329.13977	17.6
340.09555	1.3
341.13989	10.8
343.11798	2.6
355.11874	4.7
385.14890	1.3
393.07257	0.7
473.14545	3.3
476.16974	13.3
488.16995	8.5
491.19324	100.0
492.19659	1.5
503.19315	65.2
521.20386	43.2
756.06824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01382	1.0
60.99311	1.3
65.03985	0.1
66.45754	0.1
67.01894	3.6
69.03459	1.2
71.01375	1.7
73.02944	0.1
81.03444	0.9
83.05041	0.7
85.02441	0.2
85.02955	5.2
87.00878	6.6
93.03457	25.0
99.00891	0.5
99.04520	0.5
101.02428	0.1
109.02941	0.7
111.03804	0.2
111.04529	4.3
112.63605	0.1
113.02444	0.4
115.04030	0.1
117.03473	0.1
119.05032	9.5
124.23498	0.1
127.04027	1.3
128.06389	0.1
129.01945	0.7
131.11317	0.1
137.02417	0.4
143.03523	0.2
145.02966	1.8
155.03517	1.1
163.04018	8.5
171.03014	0.2
173.04553	12.9
191.05635	100.0
192.06015	1.0
199.61539	0.1
235.93692	0.1
251.65384	0.1
337.09354	29.2
338.09729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99447	0.1
55.95602	0.1
59.01398	2.9
60.01736	0.2
61.01812	0.3
61.98843	100.0
72.64706	0.2
77.46252	0.1
81.03474	1.2
82.03796	0.2
83.05042	4.2
84.04208	0.2
84.05373	1.3
108.35545	0.2
118.91625	0.2
126.05663	0.2
126.07561	0.2
145.02975	0.6
170.31311	0.2
182.49072	0.2
225.16119	1.3
225.18088	0.3
226.16429	1.8
227.16649	0.7
309.75290	0.2
369.18945	0.2
452.33487	0.4
453.33649	0.7
454.34167	0.3
662.50391	0.3
677.48987	0.2
678.50073	2.8
679.50519	4.9
680.50696	12.9
740.49487	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	741.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33689	2.2
57.03454	2.7
59.01408	5.3
83.05005	3.0
92.10099	7.6
96.96016	14.6
165.12828	4.1
178.01924	3.0
179.05693	2.6
204.85158	2.8
209.11868	100.0
227.12933	25.7
253.09381	3.8
338.92459	2.4
445.20679	13.5
741.34894	32.7
773.62640	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	741.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.0
59.01654	3.7
61.96576	2.5
61.98838	7.3
71.01373	28.4
73.02962	3.2
73.83260	2.7
78.95876	3.6
85.02962	5.9
87.00893	4.1
89.02437	31.7
97.02920	3.2
101.02422	26.4
113.02461	17.9
116.92879	4.1
119.03525	4.9
125.02420	4.9
161.04568	4.1
209.11896	5.4
221.06926	3.2
235.08179	6.0
255.23161	5.6
260.10129	3.3
283.23544	3.3
283.26453	100.0
283.41330	3.3
301.37436	3.3
397.13513	75.0
397.18457	5.6
415.14807	25.6
495.61807	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	740.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83010	1.1
57.03460	5.0
58.02991	1.1
59.01380	7.4
63.00753	0.8
63.02417	5.7
65.00326	17.7
65.94843	0.8
66.30181	0.7
66.66006	0.7
67.01894	1.7
70.21825	0.8
71.01391	1.6
74.02477	1.7
81.03488	0.9
83.01386	10.2
85.02968	0.9
85.06612	1.8
86.02483	1.1
89.02456	1.7
92.10081	1.0
93.03461	9.4
94.03799	1.5
96.96043	0.9
99.05683	1.9
107.01391	26.2
111.04553	1.3
112.99392	0.7
113.02490	0.8
118.71766	0.7
119.05025	5.1
125.02439	27.8
128.03534	6.7
135.04602	0.8
137.00706	0.9
137.02443	1.4
143.04622	8.4
149.02365	1.6
151.00374	73.1
152.00996	0.9
153.00165	4.8
154.00980	1.6
163.00427	1.3
163.04022	5.0
164.04445	1.0
165.00156	65.1
165.54942	0.9
169.01428	3.8
173.02469	4.1
173.04565	20.1
174.04834	2.0
175.00343	3.8
178.99835	1.0
179.98863	41.9
180.99661	13.3
187.04022	1.6
191.05620	16.3
192.06026	1.7
192.99586	1.5
198.03265	1.2
203.01895	1.1
207.01268	12.7
207.98376	77.4
208.99152	18.9
211.04059	3.1
215.03477	1.1
217.01703	0.9
231.01178	9.6
239.03435	1.5
240.04150	1.1
249.02190	4.2
254.07890	1.2
255.02992	5.7
256.03613	1.5
257.04788	1.0
271.00745	1.0
272.08890	8.7
273.02332	9.5
283.02487	7.3
284.03329	5.5
285.03949	1.2
293.04572	4.6
294.04883	1.7
299.00272	7.0
317.01306	100.0
335.02271	3.5
337.09357	6.7
338.09650	1.8
341.03403	56.9
404.12595	1.0
467.06638	37.6
480.61127	1.0
590.10895	9.0
608.12354	3.8
614.13007	4.4
722.14581	1.2
740.16748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01385	21.6
61.21924	0.9
61.98841	4.1
69.03505	1.0
71.01381	100.0
71.90804	0.9
73.02944	3.8
81.03474	2.3
82.80226	0.9
83.05045	4.9
85.02968	4.0
89.02442	4.0
93.03443	1.0
95.05022	1.6
97.02928	8.4
97.06592	1.9
99.00871	1.7
99.04504	1.1
101.02455	6.2
109.06604	35.4
110.03703	1.8
113.02455	2.1
115.36635	1.0
115.75433	0.9
119.03501	1.6
121.06609	1.5
125.09717	2.1
127.11292	1.1
135.08162	4.3
135.35233	1.0
142.02696	2.4
145.10258	1.1
147.07991	1.1
161.04582	1.2
161.09648	4.4
163.11305	24.2
171.10281	16.5
181.12370	5.8
185.11797	1.6
199.09781	2.3
201.11374	10.3
207.10300	82.3
208.10674	1.3
215.12843	1.0
225.11337	43.6
226.47408	1.1
243.12213	1.3
253.09305	7.7
271.58466	1.1
277.21753	65.9
317.11578	1.3
343.92050	1.0
443.19302	1.3
461.20343	15.3
721.41742	10.6
739.42407	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	740.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	8.5
57.51821	1.7
58.02977	8.2
59.01386	7.2
62.33165	1.9
63.02383	2.0
65.00322	14.9
67.01885	3.0
71.01408	2.0
74.02480	17.3
83.01405	8.3
85.02977	2.2
86.02486	7.7
87.00898	4.0
87.05656	4.1
92.10087	5.3
92.66412	2.2
93.03464	16.4
98.92781	1.7
99.05637	22.7
100.85309	1.7
107.01398	20.7
109.02978	2.7
111.04530	2.5
111.05676	2.1
112.04090	2.5
119.05071	6.8
121.02959	2.1
125.00755	2.2
125.02467	38.8
125.03411	2.7
128.03545	57.5
135.05669	1.8
141.06721	3.5
143.04637	75.2
144.78532	1.8
145.02904	2.6
145.06178	2.4
146.04617	4.4
147.00929	2.1
148.01671	9.6
149.02446	29.5
150.99153	3.2
151.00377	90.2
152.01161	4.0
153.00156	15.2
153.02007	2.3
154.00951	9.3
155.01718	2.8
163.04016	3.1
165.00189	12.9
166.09888	3.3
167.01755	3.3
169.01424	2.1
173.04587	17.0
174.03198	1.7
174.04866	2.9
175.00363	11.9
176.01221	2.7
178.99879	30.0
179.04558	13.7
179.98894	3.6
180.99681	7.2
182.00433	68.6
183.01245	31.2
183.58905	1.7
185.05803	2.8
187.04028	3.0
191.05626	53.5
192.05949	8.9
197.02521	1.7
207.01190	8.8
207.98386	57.2
208.92139	2.3
208.99171	100.0
210.08914	17.6
221.11452	2.0
231.01172	13.2
239.03636	2.8
245.02928	2.6
249.02287	4.4
254.07904	17.6
255.03107	3.9
272.08908	87.6
273.02161	9.2
283.02579	10.4
284.03281	12.0
291.03333	3.3
298.99954	2.3
315.05496	26.9
317.01300	42.4
335.02295	9.5
337.09244	10.1
338.09686	4.2
341.03397	56.0
381.44565	1.9
387.87677	1.8
404.12921	2.1
467.06592	58.8
485.13055	2.2
588.15192	10.8
590.11047	2.6
608.11871	21.1
699.04199	2.3
740.16492	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	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63416	1.6
59.01393	14.3
60.51524	1.9
61.98851	12.0
62.32563	2.3
63.78727	1.8
67.19398	2.0
71.01395	2.6
82.97450	1.9
83.05042	4.6
85.02949	2.1
89.02442	2.5
95.01430	2.4
99.04537	2.1
125.06077	2.4
163.11327	5.0
165.12880	3.3
195.13914	9.7
209.11855	100.0
223.13484	3.8
227.12949	12.5
253.09302	16.1
275.20197	10.5
277.99918	2.3
291.19858	2.8
293.21283	96.1
293.24628	3.4
679.88000	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42249	2.1
55.01880	2.2
59.01381	21.4
60.00676	2.2
61.98837	5.3
69.90170	2.4
71.01379	100.0
83.05041	3.5
85.02960	2.9
85.59239	2.4
88.04193	2.6
96.34587	2.7
97.02945	4.6
101.02449	5.5
104.60436	2.2
109.06600	30.7
113.02444	2.8
116.92780	2.2
120.03961	2.3
121.06527	2.3
135.08197	4.5
136.78609	2.4
144.41092	2.4
144.79160	2.3
163.11299	23.4
171.10269	16.0
181.12338	9.5
199.09740	2.8
201.11328	11.0
207.10272	75.6
211.90552	2.7
225.11371	41.9
253.09293	4.6
277.21777	67.5
309.51105	2.6
461.20911	17.5
509.96481	2.6
721.41486	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	739.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43752	2.1
57.03450	5.8
59.33399	2.2
69.69567	2.2
81.03452	2.9
83.01389	3.1
83.94895	2.4
88.12498	2.2
93.03440	5.8
96.96053	3.2
97.02963	3.4
109.02970	43.4
114.40926	2.2
117.26505	2.4
119.05027	4.7
121.02955	5.3
123.00823	2.4
123.04554	39.4
125.02451	71.0
131.06032	2.3
133.02956	10.6
135.04529	3.7
137.02438	28.8
138.03284	2.4
139.04030	3.9
145.02969	2.5
149.02493	5.1
149.06177	2.7
150.03252	4.1
151.00331	2.9
151.04019	37.7
156.98627	2.5
159.04517	14.4
160.01689	2.8
161.02458	29.7
161.06157	5.3
163.00386	4.0
163.04024	10.3
164.01154	4.8
165.01900	9.8
171.04680	2.2
175.03990	32.6
177.01952	15.9
177.05527	4.0
179.03523	4.4
183.04524	5.5
185.02420	10.5
187.04008	21.4
188.04750	5.5
191.05676	24.2
197.06091	4.0
199.03961	3.7
201.05582	14.0
203.03516	5.2
203.07190	15.9
205.05072	11.8
211.04022	3.9
213.05659	5.5
215.03651	3.6
217.05095	3.4
225.05588	24.7
227.03586	5.0
228.04323	3.2
229.05052	13.8
241.05141	4.7
243.02960	8.9
245.04454	18.3
245.08279	11.8
255.02991	27.6
256.03729	11.7
257.04614	2.8
269.04581	100.0
271.06079	4.9
273.04028	4.2
281.04599	14.6
285.04041	9.4
289.07227	52.3
297.04126	2.9
339.08746	12.7
385.11304	4.0
405.29236	2.5
407.07767	77.3
425.08969	27.8
433.09476	12.0
449.10852	10.7
541.11310	3.7
559.12274	5.4
577.13556	2.8
587.14221	11.0
613.85522	2.5
735.94690	2.9
739.18933	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	739.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83368	0.1
57.03452	0.3
59.01382	1.3
60.99300	1.1
67.01893	3.9
69.03451	1.2
70.58863	0.1
71.01382	1.7
73.02953	0.2
81.03462	0.9
83.05019	1.0
85.02949	5.1
87.00872	6.4
93.03452	27.1
97.02928	0.2
99.00867	0.5
99.04520	0.7
109.02937	0.7
111.04527	4.4
113.02431	0.3
115.04014	0.2
119.05019	9.9
125.02425	0.1
127.04010	1.6
129.01944	0.9
137.02446	0.7
143.03517	0.2
145.02982	1.4
155.03543	1.1
163.04010	8.8
171.02992	0.3
173.04558	13.2
183.08348	0.1
191.05629	100.0
192.05994	0.5
193.07454	0.2
199.03854	0.1
262.11096	0.2
265.35287	0.1
337.09341	24.3
338.09750	0.2
470.90921	0.1
643.92487	0.2
736.70593	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71669	0.6
55.01888	1.6
57.03451	1.6
57.90270	0.6
58.00613	0.7
59.01384	42.8
60.07962	0.7
60.23567	0.7
61.98837	4.7
62.99080	0.7
69.03466	0.9
71.01381	31.1
72.99330	1.3
73.02937	7.0
75.00868	0.9
83.01388	1.8
85.02943	7.2
87.00888	5.5
88.10069	0.7
89.02441	28.7
95.01412	1.7
97.02929	5.3
97.06579	1.0
99.04542	0.8
101.02439	24.3
109.02989	0.9
109.06628	1.4
111.04525	1.6
113.02446	12.1
116.92781	1.2
119.03488	5.8
125.02450	8.8
139.04050	0.8
143.03476	3.4
150.29683	0.8
161.04530	3.9
163.11266	1.7
171.10265	26.5
179.05573	3.3
189.09401	0.8
207.10284	4.3
221.06659	1.7
225.11334	11.5
233.15485	40.5
234.15935	1.1
235.08278	11.4
235.17075	12.2
253.09372	4.8
277.21768	52.4
281.24893	100.0
282.25305	1.1
287.07819	1.3
305.08807	3.2
330.78647	0.9
377.46509	0.8
397.13568	71.4
413.53152	0.8
415.14658	20.7
512.50769	0.8
579.98840	1.1
679.39270	3.6
721.41559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63416	1.6
59.01393	14.3
60.51524	1.9
61.98851	12.0
62.32563	2.3
63.78727	1.8
67.19398	2.0
71.01395	2.6
82.97450	1.9
83.05042	4.6
85.02949	2.1
89.02442	2.5
95.01430	2.4
99.04537	2.1
125.06077	2.4
163.11327	5.0
165.12880	3.3
195.13914	9.7
209.11855	100.0
223.13484	3.8
227.12949	12.5
253.09302	16.1
275.20197	10.5
277.99918	2.3
291.19858	2.8
293.21283	96.1
293.24628	3.4
679.88000	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87561	2.1
57.19432	2.2
59.01383	20.8
61.98839	14.9
69.03455	5.5
71.01388	4.1
85.02962	2.9
95.55396	2.6
109.06712	3.2
124.89224	3.2
154.76926	2.9
161.09653	5.6
179.10780	6.1
189.20026	3.2
197.11855	75.9
200.40372	2.7
225.71271	2.8
277.21768	82.7
360.64099	3.0
737.41418	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	737.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69738	0.1
55.14148	0.1
58.02959	0.2
58.71849	0.1
59.01384	14.5
80.05083	0.2
81.03456	6.8
81.03932	0.2
83.05026	23.1
84.19470	0.1
87.89970	0.1
95.00799	0.1
98.10995	0.2
100.07695	0.3
104.89201	0.1
107.06140	0.6
108.04552	0.6
125.07211	1.6
126.05618	0.6
143.08318	0.3
149.72687	0.1
152.32469	0.1
157.13478	0.2
207.15015	2.0
211.88354	0.2
224.17696	4.6
225.16113	17.0
242.18675	1.0
250.15523	0.2
268.16647	0.2
291.20831	0.2
309.21875	1.4
324.26501	1.1
333.22958	1.4
338.46378	0.2
341.29211	1.4
351.23856	0.2
367.27148	2.0
385.28391	0.3
404.92368	0.2
407.33890	0.2
433.31857	1.3
450.34628	1.9
451.32971	8.7
452.33142	0.2
488.13046	0.1
533.40430	0.2
550.43219	1.2
559.39801	0.6
565.44501	0.7
593.44116	0.8
622.90063	0.2
659.48682	2.6
677.49835	100.0
678.50165	2.7
755.20050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90939	0.2
57.03464	0.2
58.00611	0.2
59.01385	7.2
60.01718	0.9
61.01812	0.4
61.98838	100.0
71.01386	3.8
72.01726	0.5
73.02957	0.8
83.01373	0.4
85.02965	1.1
87.00880	0.3
89.02441	3.5
90.02771	0.4
91.02837	0.3
97.02943	0.4
101.02444	2.8
102.02764	0.8
103.02891	0.2
111.71680	0.2
113.02464	1.4
114.02776	0.4
119.03507	0.9
120.03854	0.2
125.02473	0.9
137.09721	0.3
170.96408	0.2
235.08214	0.5
236.08640	0.3
264.93268	0.2
277.21765	4.4
278.22067	5.6
279.22372	2.6
280.22675	0.9
283.19235	1.4
284.19485	0.7
357.38614	0.2
397.13620	2.5
398.13882	3.3
399.14035	4.5
400.14294	2.4
415.14618	0.5
416.15106	0.9
417.15155	1.9
418.15482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54144	2.3
56.91636	2.2
57.03467	13.0
59.01403	2.2
61.09393	2.4
65.00331	19.0
68.78088	2.4
71.05820	2.3
76.53677	2.2
83.01428	4.9
93.03456	3.6
102.34159	2.4
107.01402	32.0
109.02972	15.4
121.02974	10.2
123.04578	20.0
125.02451	100.0
133.02942	11.3
137.02480	11.9
149.02452	18.4
150.03236	17.7
151.00388	92.5
151.04015	33.3
152.01151	3.9
156.11703	2.6
159.04497	5.1
161.02444	12.9
163.00380	9.2
163.03992	4.1
164.01126	3.7
165.01974	3.7
173.06018	2.6
175.04010	24.8
176.01288	3.4
177.01933	84.0
178.99849	13.1
187.04065	3.9
189.05632	3.0
191.05626	5.3
192.00452	2.4
199.04050	11.6
201.01987	6.1
203.07149	4.0
213.05635	5.0
215.03732	3.4
217.05009	5.3
219.02945	16.5
225.05560	3.8
241.05032	3.0
243.02986	16.3
245.04428	4.2
255.03125	3.1
257.00931	3.2
257.04437	3.8
261.04047	4.7
269.01184	17.6
269.04593	16.9
285.04105	57.4
289.07214	13.7
303.05206	14.9
379.32263	2.7
403.04709	12.3
407.07828	14.9
421.05725	4.6
425.09286	4.1
435.09415	34.4
449.11026	3.3
481.08221	3.6
481.91260	2.6
518.93042	3.1
553.09906	27.2
571.11176	35.0
613.12146	6.2
739.14899	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	735.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72171	0.2
57.03460	1.5
58.03551	0.2
58.15667	0.2
58.50185	0.2
59.01383	35.6
60.52660	0.2
63.84428	0.2
73.02936	2.3
74.97779	0.3
85.02938	0.3
91.28019	0.2
95.05014	0.5
97.14001	0.3
129.05626	0.3
137.09741	0.6
139.11295	25.6
155.10825	0.3
163.11302	1.3
165.09218	1.7
181.12349	14.9
183.10269	37.9
184.10544	0.4
199.11655	0.5
199.13423	9.8
207.10358	0.5
225.11360	8.1
243.12386	100.0
244.12703	1.1
297.04199	0.2
314.05634	0.3
397.53790	0.3
551.93768	0.3
619.05090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89643	1.2
57.03447	2.5
58.00601	1.4
59.01385	15.8
61.97455	1.5
61.98839	2.5
63.18879	1.6
69.03445	2.1
71.01385	9.5
73.02962	1.7
83.01418	2.7
83.05033	9.3
84.02142	1.8
89.02444	2.7
97.02950	2.6
97.74342	2.0
101.02428	1.7
125.09723	3.0
135.08179	1.8
142.02777	2.0
163.11241	9.4
165.12868	4.1
169.12259	1.9
170.93068	1.8
171.10242	13.7
179.10736	2.3
191.10857	2.1
197.11838	43.6
201.11313	10.3
207.10312	25.8
209.11844	100.0
211.13400	8.5
225.11304	8.1
227.12865	8.6
235.08321	3.1
239.12875	18.7
253.09270	10.4
267.15894	2.7
273.17099	42.5
280.29568	1.8
371.76614	1.9
384.78934	1.8
446.50110	1.8
446.83109	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	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15500	0.2
59.01392	0.7
61.98833	100.0
71.01389	0.3
81.03450	0.2
82.16283	0.2
83.05046	0.4
89.02446	0.2
93.72800	0.2
97.25259	0.2
99.74288	0.2
107.47105	0.2
109.75530	0.2
125.02380	0.2
149.80582	0.2
163.11290	0.2
165.12845	0.2
171.10269	0.2
196.56200	0.2
209.11864	7.2
210.12215	4.8
211.12389	2.4
212.12531	0.2
227.12849	0.4
229.13503	0.2
544.29810	0.2
636.86713	0.2
684.03979	0.2
707.73376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03460	0.7
58.00605	1.4
59.01391	47.0
60.00476	0.3
61.98864	0.5
66.70461	0.3
68.98680	0.3
69.03468	2.4
71.01386	28.4
72.99307	1.9
73.02943	5.8
75.00879	0.5
81.03448	2.0
83.01387	4.3
83.05038	0.4
85.02953	7.4
87.00880	6.5
89.02444	27.7
91.04009	0.5
93.03452	0.4
95.01387	1.9
97.02950	6.6
99.00895	2.2
99.04573	0.4
101.02444	21.8
103.04042	0.4
109.02988	0.4
111.00890	0.4
111.04554	1.1
112.39821	0.3
113.02453	11.1
115.04008	0.6
116.92844	0.4
119.03505	7.3
121.02961	0.6
125.02449	8.6
131.03520	0.5
133.05057	1.3
139.04007	0.7
143.03537	3.3
149.04550	0.6
161.04543	4.7
167.03679	0.3
179.05693	3.1
203.05539	0.3
217.07104	0.7
221.06628	1.3
235.08220	7.7
252.73370	0.3
253.09322	1.6
261.22293	0.4
263.07629	0.6
279.23306	100.0
280.23517	1.5
287.07626	2.4
290.88522	0.3
305.08768	2.9
323.09842	1.3
379.12820	0.3
397.13559	71.4
398.13632	0.6
415.14627	23.9
677.37866	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36717	0.6
57.03471	1.5
58.36514	0.6
59.01387	8.7
61.98843	3.1
69.03469	4.2
71.01395	4.0
71.05017	1.2
71.83530	0.6
73.02940	0.7
78.62235	0.5
85.02969	0.6
89.02446	4.2
92.10781	1.2
99.00827	0.8
101.02461	4.3
111.04462	0.6
113.02448	0.8
116.92843	0.9
123.08173	0.7
125.09730	1.5
151.11284	3.1
153.12857	1.1
161.09694	2.6
179.10812	5.9
187.76547	0.7
197.11850	100.0
241.10910	3.6
246.12808	0.7
253.09273	2.7
277.21741	28.3
477.19949	1.3
683.40887	0.8
684.03888	0.8
737.41327	71.9
738.41553	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	735.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	6.0
57.99646	1.2
59.01392	3.4
65.00325	12.5
69.03496	3.5
71.01381	1.5
71.05041	2.8
72.99321	8.3
76.77697	1.6
81.03472	2.7
83.01409	11.4
89.22152	1.6
92.10111	1.8
101.64734	1.5
107.01405	29.3
107.05051	3.1
109.06601	66.3
123.04520	8.7
124.01659	1.9
125.02457	22.0
125.67104	1.4
133.02948	3.1
149.02477	1.8
150.03224	21.9
150.99161	3.2
151.00381	100.0
151.04010	25.7
151.09363	1.5
152.01169	15.1
154.11453	1.4
169.01439	1.9
177.02017	2.4
177.73386	1.5
178.99899	12.5
179.10785	13.9
199.03995	6.6
217.05190	1.9
220.29416	1.6
229.05006	1.6
241.05145	2.6
241.10873	2.8
283.08289	1.8
285.04095	56.5
286.04593	1.9
292.68726	1.5
299.02780	1.5
299.11472	7.3
299.14984	55.1
303.05127	17.2
309.06308	2.0
435.09354	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.0
59.01389	4.7
61.98852	1.2
69.79342	0.8
71.01395	0.9
71.51389	0.8
89.02435	1.1
93.03462	5.3
96.96056	0.9
109.02957	0.8
112.59737	0.8
121.02958	13.7
122.03745	13.8
123.04536	1.6
133.02939	1.8
134.03755	1.6
135.04483	4.8
136.01659	1.4
137.02403	1.2
145.10760	0.8
147.04559	1.5
149.02457	52.8
149.06120	2.0
150.03236	100.0
152.43597	1.0
153.09219	1.0
164.04785	9.3
165.05580	72.7
166.06314	0.9
179.07129	4.2
180.04298	5.6
180.07947	10.0
183.10271	3.4
195.06656	26.2
195.10376	1.1
208.07491	3.4
223.09743	10.3
225.05681	1.3
226.06380	1.0
226.08458	1.6
240.04308	1.6
251.07202	0.9
261.05630	0.9
265.05127	1.5
281.08347	1.1
285.17010	3.3
295.06281	1.4
298.08429	1.4
311.09366	3.3
313.10880	2.0
325.10632	1.7
326.11740	1.4
327.12268	1.6
329.13934	1.9
334.65280	0.9
339.12424	1.4
341.14148	1.3
411.11923	0.9
415.11508	1.1
417.77573	0.9
429.13141	3.4
443.15784	1.1
445.16501	1.6
459.14487	5.0
461.16193	1.5
462.17050	4.2
471.14404	2.0
473.16162	1.1
474.16754	3.5
475.17374	1.2
476.18344	1.3
477.19232	6.6
486.16687	1.1
489.19479	8.5
501.19019	1.6
507.20685	7.5
519.20306	12.8
564.30072	0.9
565.19012	2.7
579.20813	3.1
595.19531	3.8
607.20007	3.7
610.21985	6.6
622.22125	4.8
625.24463	28.6
629.38580	1.9
637.24524	26.1
655.25500	12.1
667.25983	7.5
685.26709	33.7
686.25500	1.0
703.27936	3.5
715.27924	1.5
733.28748	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	732.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79945	0.2
56.82859	0.1
58.71289	0.1
59.01389	0.3
61.98835	100.0
71.01359	0.2
85.02937	0.2
88.09506	0.2
89.49320	0.2
117.03472	1.2
118.03801	0.2
119.05019	0.8
120.05328	0.3
121.02966	0.7
123.04484	0.1
126.84853	0.2
135.04518	1.0
136.04782	0.2
137.02495	0.3
145.02971	5.5
146.03300	3.2
147.03485	0.7
161.06091	0.3
163.04030	1.3
164.04352	0.3
165.01884	0.8
165.05515	0.2
179.03473	0.6
180.04259	0.3
180.07942	2.1
181.08282	0.8
182.08476	0.3
192.07892	0.2
194.05801	0.2
195.06506	0.8
196.06845	0.2
244.90744	0.2
307.08286	2.0
308.08527	1.4
309.08755	1.5
313.10809	0.2
328.12952	0.4
329.13519	0.4
331.15540	0.3
332.15799	0.9
343.15445	0.8
344.09409	0.2
344.15823	0.9
361.16467	1.0
362.16840	0.9
363.17123	0.9
521.22699	0.3
522.22406	0.8
669.25256	0.3
671.26587	0.3
672.26086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25698	0.1
54.01313	0.1
55.01623	0.1
55.01885	2.5
57.03452	2.4
58.00604	1.3
59.01385	42.0
61.58322	0.1
65.88586	0.1
67.60839	0.1
68.99841	0.1
69.03451	0.2
71.01381	26.8
72.99310	2.2
73.02943	4.7
75.00891	0.2
75.87007	0.1
81.03485	0.2
83.01385	4.6
83.05031	0.7
85.02952	11.3
86.00091	0.5
87.00886	1.4
87.05216	0.1
89.02441	19.0
93.03417	0.1
93.41653	0.1
95.01384	3.1
95.05022	0.4
97.02943	0.8
99.00875	1.6
99.04540	0.1
101.02440	22.2
109.02371	0.1
109.02959	1.5
111.00852	0.1
111.04512	1.0
113.02451	10.9
119.03497	6.6
121.06574	0.7
122.03767	0.2
123.04509	0.9
123.08145	0.7
125.02461	1.3
125.09711	0.2
131.03462	0.2
135.04544	0.2
137.02441	0.7
139.04086	0.1
139.07634	0.2
143.03549	0.2
149.02466	0.2
149.04575	0.4
150.03221	0.1
151.03986	0.2
159.02951	0.5
161.04544	0.7
161.05939	0.2
165.01982	0.2
171.11838	0.8
173.04608	0.1
173.06169	0.1
175.07565	0.1
179.03520	0.4
179.05612	0.2
185.02716	0.1
187.03970	0.2
187.11177	0.2
188.04750	0.2
189.12837	2.2
201.12820	0.4
203.07149	0.6
205.05040	0.4
219.13968	1.0
237.15019	1.5
245.08221	1.0
263.12872	0.2
281.13947	0.4
289.07233	2.9
443.19299	100.0
444.19473	2.0
445.19955	0.1
588.15417	0.1
594.20612	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17831	8.5
59.01390	100.0
61.98863	11.4
81.92530	10.2
89.65712	12.1
92.10207	11.8
107.30473	11.2
107.34035	11.5
150.60291	12.6
219.70711	12.0
225.84763	11.5
255.23203	14.1
265.95197	12.0
268.34451	12.3
383.30203	14.0
394.95212	14.0
413.33334	12.6
419.07230	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	731.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.9
59.79629	0.7
66.37719	0.7
71.01420	0.9
71.19816	0.7
81.33211	0.7
89.12583	0.7
93.03458	1.5
100.94572	0.8
109.02984	4.0
120.24469	0.7
121.02963	14.5
122.03742	11.8
123.04542	5.9
124.01665	1.5
125.02504	1.2
132.02148	4.2
133.02991	10.5
134.03745	14.4
135.04535	3.4
136.01625	1.5
137.02417	13.7
138.03224	3.7
139.04016	1.6
145.02968	7.5
146.03699	4.5
147.04512	3.8
149.02457	27.8
149.06093	18.0
150.03236	100.0
151.03955	5.3
161.02470	1.6
161.06107	7.1
162.03256	1.9
163.03975	4.1
164.04802	5.1
165.05574	73.9
166.05901	0.8
177.05566	4.2
179.07182	1.1
180.04340	6.5
189.05577	5.4
190.06416	6.5
191.07169	3.4
193.20009	0.8
195.06659	28.4
203.07152	1.1
205.04915	1.2
206.05821	5.3
220.07262	1.5
221.08183	1.3
228.39307	0.8
235.83401	0.9
315.12234	6.0
329.14218	3.9
342.14957	1.2
343.07605	1.2
343.11880	36.7
344.12622	4.3
357.13397	5.8
358.14267	49.8
359.14954	6.1
371.15057	1.5
372.16223	1.2
373.16611	68.0
427.17706	12.3
521.21771	38.8
533.21783	8.6
551.23096	13.6
569.24005	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83107	1.3
58.44754	1.3
59.01384	28.0
61.09055	1.8
68.90744	1.5
71.01398	8.5
71.77480	1.3
72.87350	1.2
73.02975	2.5
80.02680	2.0
81.03449	2.7
83.01420	1.9
83.05048	8.8
85.02985	1.6
89.02460	8.6
90.75801	1.2
92.10804	2.9
93.03467	1.8
97.02941	5.7
101.02467	7.6
105.93179	1.3
109.02962	1.4
109.06598	28.4
111.04578	1.4
113.02467	2.4
121.06640	1.6
125.02457	1.8
125.09724	1.8
135.08171	6.2
136.29474	1.3
142.02719	1.9
161.04521	2.2
161.09718	1.9
163.11290	23.8
165.12852	5.1
181.12350	6.1
207.10304	68.6
209.11864	100.0
211.13324	1.4
211.27713	1.5
217.00243	1.7
225.11368	28.5
227.12886	11.0
235.08276	1.8
247.13434	2.1
253.09283	8.7
263.13150	1.6
301.94699	1.9
399.21948	5.5
417.22845	2.9
443.19318	2.4
453.11920	1.6
461.20361	13.3
464.18896	1.6
537.21527	14.6
627.37543	1.8
635.30499	9.8
653.31934	12.8
671.32635	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20387	0.1
61.98838	100.0
71.01389	0.1
75.30157	0.1
119.04963	0.1
145.02960	1.3
163.03987	0.2
163.34317	0.1
180.07922	0.3
224.17531	0.1
256.13193	0.2
301.71378	0.1
307.08304	0.8
317.02887	0.2
329.13962	0.3
330.14078	0.2
331.15756	0.2
370.26624	0.2
411.66095	0.2
503.06757	0.2
510.72311	0.2
544.93835	0.2
660.04010	0.2
705.27673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.6
61.98848	4.9
71.01403	2.0
89.02484	1.9
101.02448	2.6
150.64897	1.4
160.72626	1.3
171.08771	2.5
171.10272	82.1
253.09326	8.1
277.21756	100.0
382.53754	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	729.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07893	0.3
58.00604	2.7
59.01396	2.1
64.78262	0.4
68.92235	0.3
72.99305	31.4
82.63736	0.3
83.87710	0.3
84.83090	0.4
91.05532	16.6
96.45238	0.4
103.00385	0.5
113.00618	0.4
115.05550	3.5
117.03474	7.9
119.05058	0.6
125.02428	3.3
131.05035	6.9
133.06578	6.4
135.04514	3.0
147.04544	2.5
149.06088	72.6
150.06502	0.5
159.04533	0.9
161.02440	0.7
163.04008	18.6
177.01984	0.4
177.05571	15.4
179.03525	0.8
189.15988	0.4
191.05615	5.7
193.04951	1.7
195.06596	0.7
203.85382	0.4
239.05627	100.0
240.06009	1.9
254.97336	0.5
272.29291	0.5
375.07141	2.3
489.16183	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	729.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77639	0.4
57.03461	1.1
58.45897	0.4
59.01384	8.6
61.44550	0.4
70.76645	0.4
71.01380	5.0
73.02969	2.0
80.18783	0.4
81.37475	0.4
83.01385	0.8
85.02976	2.7
89.02467	3.0
91.52061	0.5
95.01430	0.6
96.96049	0.6
98.45805	0.4
99.04546	0.7
101.02453	3.5
103.95522	0.5
107.67036	0.5
109.02969	1.1
113.02452	2.3
117.03477	12.7
119.03619	0.6
119.05029	18.1
119.05894	0.6
121.02966	3.2
122.03757	1.8
123.04475	0.6
125.02415	0.5
133.03003	0.5
135.04533	6.0
136.05315	0.6
137.02438	0.5
145.02968	100.0
146.03325	0.7
149.06076	1.1
151.00406	0.8
151.03973	0.9
161.04823	0.6
161.06100	5.3
163.04019	21.4
167.07175	1.8
178.06323	2.2
179.07137	2.5
180.07944	20.8
182.05870	0.9
183.10356	1.4
187.04056	1.1
191.07175	0.7
192.07912	2.8
193.08669	2.2
194.05844	3.2
195.06633	3.0
205.05003	0.6
209.08235	0.8
212.06960	2.3
226.08452	0.9
247.06058	0.9
267.16110	0.8
283.15573	3.4
307.08301	76.7
308.08719	0.8
313.10880	3.4
316.13205	2.4
328.13327	5.6
331.15549	9.5
343.15506	4.7
361.16641	18.7
388.70721	0.6
406.62692	0.6
669.25934	5.3
669.40778	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69880	0.5
54.79943	0.5
59.01386	9.8
71.01376	12.6
73.02971	0.7
76.33888	0.5
77.22649	0.5
80.02686	1.4
81.03470	2.8
83.05028	6.4
84.02203	1.4
85.02971	1.1
89.02441	4.0
92.10735	1.2
96.96028	3.4
97.02955	3.6
99.00880	0.9
100.44631	0.6
101.02454	5.0
109.06595	17.0
110.03798	0.7
113.02459	2.9
121.06634	0.7
125.06048	0.7
125.09699	1.4
135.08171	3.3
142.02719	1.3
143.32443	0.6
161.04572	1.3
161.09729	1.0
162.20538	0.6
163.11304	16.2
165.12866	3.7
171.10272	3.5
173.15154	0.5
179.10696	0.6
181.12358	5.6
191.10811	0.9
201.11296	1.0
207.08333	1.0
207.10306	40.8
209.11861	100.0
225.11359	25.4
227.12907	14.0
235.08249	2.9
250.92546	0.7
253.09302	11.5
281.74658	0.7
299.15146	0.7
399.21967	1.3
417.22858	1.0
427.09290	0.7
443.19089	1.3
461.20499	7.5
635.30963	2.4
653.31909	2.5
671.32758	5.7
672.33966	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	723.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56403	0.1
55.01893	0.1
56.37387	0.1
57.03453	0.2
59.01385	5.0
59.01651	0.2
61.98851	0.3
69.28236	0.1
71.01375	2.4
72.99327	0.1
73.02945	0.2
75.60693	0.1
80.02650	1.2
80.86662	0.2
81.03448	1.5
81.93507	0.1
83.01402	0.3
83.05028	4.9
83.05478	0.3
84.02188	1.0
85.02965	0.7
87.00866	0.3
89.02441	2.5
95.01426	0.2
95.05016	0.6
97.03001	0.3
97.06558	0.2
101.02445	2.7
113.02445	1.2
119.03533	0.7
119.59447	0.1
125.06136	0.6
135.08186	0.8
140.44113	0.2
143.03523	0.2
161.04584	1.0
163.11292	5.3
165.12854	2.8
179.05605	0.3
181.12389	0.8
191.10779	1.2
209.11856	100.0
210.12196	1.1
227.10664	0.3
227.12903	7.7
235.08273	0.7
253.09334	6.1
253.12025	0.2
277.21747	44.1
278.22086	1.0
445.20911	0.7
448.89023	0.2
556.44580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01383	5.5
61.98834	1.9
70.98272	0.4
71.01382	3.7
71.57541	0.4
73.02961	1.8
79.65019	0.4
81.03477	0.6
83.01384	0.6
83.05026	4.2
84.02164	0.8
85.02967	1.1
89.02452	3.1
97.02961	0.4
101.02435	3.9
113.02429	0.8
116.92899	0.5
119.03522	0.6
125.05984	0.5
145.05093	0.6
151.65137	0.4
161.04579	1.9
163.11247	3.2
165.12843	1.8
191.10820	0.5
209.11859	66.1
227.12920	7.5
235.08292	4.0
253.09300	7.7
275.19940	0.5
277.21744	100.0
278.22021	1.8
299.20258	0.7
374.28589	0.4
408.20535	0.5
643.77069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.1
58.84199	0.1
59.01392	0.9
60.99325	0.1
67.01906	0.2
71.01390	0.7
73.02962	0.2
83.05045	0.2
83.54081	0.1
85.02953	5.9
85.03454	0.2
87.00857	1.7
93.03446	3.3
95.47266	0.1
96.95989	1.0
98.95583	0.9
109.02922	0.3
111.04520	1.3
113.02414	0.2
117.03447	0.1
119.05013	1.1
120.89523	0.1
127.04013	2.0
127.70191	0.1
129.01865	0.1
129.49110	0.1
135.72092	0.1
136.01889	0.1
145.02953	1.5
145.08696	0.2
163.04019	1.3
171.02979	0.5
173.04533	1.5
191.05629	100.0
192.05972	5.0
193.06104	2.3
307.13867	0.2
337.09351	16.7
338.09595	1.4
339.09827	1.0
377.69537	0.1
505.31216	0.1
725.31549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98816	0.1
51.85168	0.1
59.01384	1.3
64.70476	0.1
67.01898	0.3
69.03479	0.1
71.01392	0.8
72.41837	0.1
79.64050	0.1
79.95748	0.1
81.03493	0.2
83.05044	0.6
85.02958	6.1
85.03458	0.2
87.00891	1.4
89.02457	0.1
93.03454	2.9
95.40709	0.1
96.96011	13.5
99.04571	0.1
99.08184	0.1
101.02456	0.2
105.78931	0.1
109.02958	0.5
110.03729	0.2
111.04522	1.2
111.32146	0.1
113.02486	0.1
116.92896	0.1
119.05022	1.1
127.04025	1.4
143.03558	0.1
145.02994	1.1
145.08720	0.3
153.01913	0.1
163.04080	1.4
171.03082	0.2
173.04552	1.7
191.05643	100.0
192.06015	0.6
197.08224	0.5
271.02444	0.2
307.13922	0.9
316.02280	1.0
317.03381	0.1
337.09354	17.1
338.09772	0.2
340.95499	0.2
625.14154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16024	0.1
59.01374	1.1
67.01904	0.5
68.35508	0.1
69.03453	0.1
71.01401	0.6
73.02960	0.2
75.63042	0.1
79.95763	0.2
81.03455	0.2
83.05034	0.5
85.02950	5.8
85.03461	0.2
85.48418	0.1
87.00867	1.3
93.03444	3.4
93.03997	0.1
96.96004	12.5
99.00886	0.1
99.04529	0.2
101.02453	0.1
107.66733	0.1
109.02959	0.5
110.03748	0.2
110.83622	0.1
111.04511	1.1
113.02468	0.2
117.44587	0.1
119.04999	1.2
127.04021	1.9
131.09892	0.1
137.02502	0.1
145.02956	0.8
145.08720	0.5
153.09187	0.1
155.03450	0.2
155.12848	0.1
163.03975	1.1
171.02995	0.4
173.04562	1.5
186.08905	0.1
191.05627	100.0
192.05960	0.6
197.08183	0.2
257.90167	0.1
271.02438	0.2
307.14044	0.6
316.02319	1.0
337.09341	18.2
338.09793	0.1
344.10236	0.1
355.61661	0.1
625.14069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83074	2.1
59.01377	28.6
67.14724	2.5
67.93645	2.4
70.76334	2.9
71.01382	16.5
73.02943	9.3
83.01394	3.3
85.02958	3.8
89.02425	33.6
95.05001	4.5
97.02966	10.6
99.00887	17.1
101.02444	13.4
107.05020	2.9
109.02943	46.5
113.02454	5.4
115.14133	2.8
119.03512	3.8
119.05017	10.7
122.03728	2.8
123.04523	34.2
125.02404	34.8
137.02399	17.8
139.03964	12.3
149.02448	10.8
149.04442	2.8
150.03194	2.6
151.04030	16.0
159.48320	2.5
160.69637	3.3
160.84174	2.5
161.02460	4.0
161.06047	12.2
164.01141	4.5
165.01996	4.0
175.03970	2.8
179.03499	12.0
187.03998	5.9
188.04678	4.2
191.05614	5.1
199.07666	2.9
202.06349	3.4
203.07161	22.4
205.05162	10.4
221.08194	3.2
245.08205	23.1
289.07175	90.6
290.07483	3.5
358.68356	3.5
431.15564	100.0
467.25522	2.8
589.49652	2.5
661.88977	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81982	0.1
56.00898	0.1
57.03464	0.2
57.14808	0.1
58.94464	0.1
59.01392	0.9
62.99757	0.1
67.01928	0.2
71.01399	0.6
73.02928	0.1
83.05060	0.1
85.02959	6.1
85.03454	0.2
86.30913	0.1
87.00900	1.3
93.03460	2.5
94.31200	0.1
96.96047	0.2
98.95603	0.2
99.04501	0.2
99.74062	0.1
100.23103	0.1
104.03849	0.1
109.02912	0.9
111.04532	0.8
125.02439	1.2
127.04008	2.0
133.02974	1.3
135.04510	1.0
161.02455	2.3
171.02968	0.3
173.04561	1.4
177.01987	0.1
179.03470	1.0
191.05630	100.0
192.06010	0.5
192.41719	0.1
252.63777	0.1
259.56586	0.1
268.71957	0.1
353.08829	9.1
606.39661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.66968	0.3
77.61597	0.3
85.76041	0.3
93.03460	0.4
96.46194	0.3
96.96015	2.6
104.92980	0.3
109.02940	0.5
109.70050	0.3
122.03735	0.4
123.04518	70.0
125.02457	0.5
153.05579	100.0
177.96909	0.4
216.95302	0.3
227.33301	0.3
286.55179	0.4
315.10907	19.7
315.14624	0.7
323.13550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43966	1.0
57.03434	1.0
58.68086	0.9
59.01387	15.1
61.98840	2.1
64.34837	1.1
70.37192	0.9
71.01382	74.3
71.01775	2.4
73.02955	4.5
80.02702	1.9
80.96535	1.6
81.03459	2.4
82.78849	0.8
83.05013	8.4
84.02164	1.5
85.02970	2.3
87.00903	1.6
89.02494	1.6
92.10873	2.3
93.03443	1.8
95.05046	1.5
96.95956	1.3
97.02966	5.6
97.06567	1.9
101.02466	5.5
106.04314	1.3
109.06588	14.7
110.03712	1.3
113.02435	1.2
121.06621	1.6
123.08237	1.1
135.08215	1.6
136.05280	1.8
137.09784	1.2
141.67969	1.2
142.02728	1.8
149.09662	1.5
161.04547	1.5
163.11269	14.1
165.12894	4.0
171.10283	15.4
181.12320	4.0
185.11873	1.6
199.09877	1.7
201.11310	2.6
207.10294	42.3
207.12151	2.2
209.11864	100.0
225.11362	23.6
227.12900	7.8
235.08238	1.6
246.59833	1.2
253.09335	6.9
267.15952	1.4
399.22049	1.5
417.22675	1.5
461.20288	8.8
635.30450	1.9
653.31586	2.3
671.33014	5.0
675.86938	1.1
721.32178	1.6
751.19281	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	719.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08595	0.8
52.46426	0.8
59.01380	21.8
71.01389	4.6
74.59229	0.9
79.95745	1.3
85.02966	5.5
89.02439	9.6
92.10979	1.0
93.03468	4.1
95.05092	0.9
96.96003	63.7
101.02422	1.0
109.06602	5.2
111.08195	1.8
125.02402	1.1
125.09694	9.9
127.07654	5.9
133.02982	1.6
135.04556	2.3
139.07637	1.6
149.06055	1.3
153.09201	1.8
155.07133	1.2
161.02438	1.1
171.10272	30.4
173.08191	43.8
179.20424	0.9
187.09691	1.3
191.05620	66.8
197.08051	1.1
215.09227	11.5
229.24135	1.2
230.81169	1.1
233.10344	29.6
303.14548	1.2
305.12466	12.6
347.13516	1.1
353.08789	6.0
353.35547	1.1
365.14569	100.0
456.43219	1.0
508.51724	1.0
516.33752	1.4
674.70520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.2
59.01396	0.8
67.01917	0.3
69.18687	0.1
71.01407	0.7
73.02940	0.2
85.02957	5.8
87.00865	1.5
93.03455	3.3
99.04514	0.2
104.55894	0.1
109.02950	0.5
111.04533	1.1
119.05016	1.1
123.04639	0.1
124.66265	0.1
125.02479	0.3
127.04021	1.8
145.02980	1.1
163.04051	1.1
167.03522	0.5
171.02968	0.3
173.04527	1.7
191.05635	100.0
192.05917	1.0
239.69559	0.2
284.09546	0.2
329.08527	0.2
337.09344	16.2
338.09958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78757	1.2
54.83167	1.8
55.40438	1.2
57.03465	2.2
59.01387	13.3
61.98838	3.0
62.95290	1.8
71.01400	7.5
73.02950	1.9
74.00866	1.3
75.00935	1.7
75.10332	1.6
81.03489	2.0
82.58409	1.8
83.01376	2.0
83.05033	3.8
84.02155	2.9
85.02988	2.2
89.02489	2.5
96.95975	2.3
101.02480	3.1
109.06632	2.0
116.92819	1.8
121.54794	1.5
122.75299	1.5
125.09739	3.6
126.33895	1.6
127.07669	3.3
134.15317	1.7
163.11310	7.7
165.05626	1.7
165.12878	1.9
166.24596	1.6
171.10344	2.6
191.10629	2.0
209.11858	100.0
227.12923	7.9
235.08205	2.0
253.09325	7.8
267.16037	1.7
269.17282	1.8
270.72055	1.6
273.17117	82.7
301.01306	2.0
371.44684	1.6
488.91797	1.7
655.36151	2.0
659.40955	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	717.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
61.98854	0.3
71.01374	3.1
73.02962	0.7
80.02682	0.4
81.03446	0.3
83.01406	0.5
83.05030	3.7
85.02962	0.7
87.00887	0.4
89.02419	2.6
90.07918	0.3
101.02422	3.3
109.06593	0.4
113.02485	1.9
118.24344	0.3
135.08141	0.7
137.09792	0.3
149.02586	0.3
150.03261	0.5
160.22720	0.3
161.04591	1.7
163.11264	2.9
165.12877	2.1
167.10788	0.4
167.14439	1.2
181.12331	0.5
183.13918	7.4
191.10703	0.7
193.12402	2.4
195.06729	0.4
200.44884	0.3
205.15778	0.3
209.11867	65.9
211.13429	100.0
212.13780	0.5
225.15041	0.5
227.12900	8.1
235.08249	2.5
253.09363	5.7
267.16052	0.5
303.54742	0.4
398.66690	0.3
445.21014	1.8
447.22314	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	719.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84163	0.6
58.21927	0.6
58.46237	0.5
59.01386	10.2
71.01395	7.0
82.41332	0.6
85.02967	1.0
89.02450	13.4
101.02441	4.8
102.83911	0.7
113.02463	5.1
114.27802	0.6
119.03509	4.7
123.71284	0.6
131.03519	0.8
132.53661	0.6
143.03447	0.8
161.04655	0.9
179.05586	6.3
185.26627	0.7
201.66092	0.6
215.03296	5.5
341.10944	23.7
377.08606	100.0
378.09079	1.1
572.72845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
57.03458	2.5
58.00598	1.5
59.01380	37.6
60.15055	1.2
64.34798	1.1
71.01372	24.6
72.99301	2.0
73.02951	7.6
82.28930	1.1
83.01392	7.8
85.02952	9.5
86.00098	2.4
87.00900	2.0
89.02421	10.0
93.03448	4.7
95.01402	1.7
95.05048	1.3
99.00866	2.8
101.02421	20.4
107.99870	1.2
111.00860	1.8
111.08164	1.5
113.02453	8.1
119.03512	2.3
121.02927	16.0
122.03729	17.5
123.04527	1.5
125.02415	1.8
132.02213	1.7
133.02945	2.9
134.03696	1.5
135.04529	1.7
147.04448	2.2
149.02437	54.8
149.06131	4.3
149.36484	1.3
150.03221	100.0
151.00366	1.1
151.03973	1.6
159.04457	1.8
162.03273	1.9
163.03996	1.3
164.04782	12.0
165.05569	69.7
177.05487	1.2
180.04280	6.2
195.06610	15.8
195.43214	1.2
218.27818	1.6
225.11369	1.6
253.08748	1.5
265.08643	2.1
268.07483	1.3
269.08157	5.0
271.02554	1.3
277.08084	1.3
279.10223	1.6
281.08212	7.2
282.09021	2.7
283.09821	5.0
285.17084	1.9
295.09552	1.2
296.10532	2.3
297.11279	5.2
299.09256	1.7
313.10837	5.7
314.11551	2.3
315.12329	2.8
325.10852	1.8
326.11639	7.8
327.12283	6.4
329.13934	8.9
341.13824	5.7
347.83127	1.3
355.11642	2.3
431.15051	2.7
462.17056	2.1
463.17725	2.2
470.87982	1.2
474.17200	2.8
476.16580	6.2
477.19376	6.2
488.16861	2.1
489.18823	6.1
491.19312	35.3
503.19199	24.3
507.20123	2.2
521.19977	1.8
557.20520	1.5
639.24823	10.0
651.24487	45.6
669.25598	76.1
699.26862	1.8
717.27704	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67600	0.1
54.88462	0.1
57.03449	0.8
59.01372	1.2
60.99324	1.0
62.04771	0.1
67.01891	4.2
69.03455	1.3
71.01385	1.6
73.02972	0.1
75.39843	0.1
81.03469	0.7
83.05036	0.7
85.02955	5.3
87.00874	6.2
92.10210	0.2
93.03452	25.5
99.00874	0.5
99.04524	0.8
109.02973	0.7
111.04523	4.8
113.02476	0.7
119.05022	9.2
127.04030	1.6
129.01926	1.2
133.02931	0.7
137.02438	0.5
143.03531	0.2
145.02983	1.3
155.03516	1.1
163.04013	10.1
171.03004	0.2
173.04547	10.6
191.05627	100.0
192.05968	0.6
245.87703	0.1
337.09348	24.8
338.09485	0.2
421.82733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
57.03464	3.8
58.00606	1.7
59.01385	100.0
68.91984	0.6
71.01382	47.0
72.90955	0.8
72.99329	3.1
73.02955	1.1
83.01405	1.7
85.02958	9.0
87.00877	1.8
88.20588	0.7
89.02438	55.9
93.03461	1.2
95.01414	5.3
99.04559	1.0
101.02436	22.3
113.02451	17.7
113.03157	1.2
119.03498	22.5
121.02954	7.0
122.03757	5.2
125.02511	1.0
131.03560	1.2
136.01620	1.0
143.03554	1.7
145.02948	0.9
149.02451	32.4
149.04500	1.4
150.03224	37.6
155.12321	0.8
161.04591	4.1
161.05853	0.7
162.03287	1.0
163.03986	0.8
164.04810	5.3
165.05562	20.5
179.05603	10.3
179.07043	1.3
180.04265	3.4
195.06665	7.9
255.10440	1.0
268.03894	3.0
269.04382	1.3
269.08276	0.9
269.21097	0.8
283.09778	8.3
283.15570	4.4
285.04123	1.1
295.09805	1.1
311.09348	18.5
325.10971	1.5
326.11719	13.9
327.12445	1.7
329.14090	1.0
341.14001	13.4
431.09875	1.3
474.16742	1.2
489.19254	20.5
507.20389	8.3
537.21582	1.5
669.25134	1.1
703.48346	0.8
717.27936	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	713.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83259	0.4
55.01881	2.8
56.32468	0.3
57.03468	1.5
58.00615	1.5
59.01386	48.9
61.98845	0.6
69.03472	1.8
71.01385	31.2
71.13887	0.3
72.99327	2.1
73.02940	6.2
73.03279	0.3
75.00894	0.4
81.03474	1.9
83.01401	4.3
85.02961	7.8
85.03384	0.5
87.00892	6.7
89.02448	30.2
91.04019	0.4
92.10777	0.7
92.66785	0.3
95.01395	1.5
97.02960	5.2
99.00918	2.0
101.02448	23.2
109.02985	0.7
111.00873	0.5
111.04564	1.3
113.02465	11.2
116.92912	0.4
119.03500	8.2
121.02925	0.7
125.02454	10.5
131.03490	1.2
133.05101	0.7
139.04044	0.7
143.02574	0.4
143.03525	3.5
151.04050	0.5
161.04585	3.1
169.05058	0.6
179.05615	3.1
185.04575	0.6
189.27324	0.3
208.48004	0.4
221.06691	1.8
227.84488	0.4
231.13971	0.8
235.08264	9.7
253.09404	1.5
255.23331	100.0
256.23700	0.6
263.07825	0.6
287.07693	2.4
289.32703	0.4
305.08865	3.3
320.88568	0.4
397.13553	78.4
415.14645	24.9
415.37201	0.4
565.39746	0.4
653.37598	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	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82708	0.3
58.66905	0.3
59.74761	0.3
65.48926	0.3
83.05006	0.8
225.16087	0.7
449.18024	0.4
628.73987	0.5
677.50024	2.6
713.47516	100.0
714.47784	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	716.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79617	0.7
55.36452	0.8
57.03447	1.6
58.02973	19.9
59.01385	1.7
62.10902	0.8
63.02388	1.0
65.00321	15.7
70.02964	7.1
72.00911	5.1
76.94730	0.9
83.01366	7.7
87.57795	1.0
90.41536	0.8
91.05512	8.7
101.02456	1.2
107.01382	29.4
109.02991	0.9
114.39178	0.9
123.04536	7.5
125.02405	10.4
133.02951	2.2
135.04495	3.9
137.91080	1.0
147.04514	40.2
150.03233	8.5
151.00354	94.2
151.03983	28.8
152.01093	5.6
162.09209	1.4
164.07153	94.4
169.01486	1.1
175.03944	2.0
176.01180	1.0
177.01990	1.5
178.99818	6.2
180.59322	1.0
182.19878	0.9
185.06058	1.0
199.04041	3.6
206.08212	100.0
207.08554	1.4
213.05431	1.1
217.05020	1.4
227.73566	0.9
241.05127	1.6
249.62614	0.9
250.07166	1.1
257.04425	1.4
285.04037	60.4
299.14941	10.1
300.15378	4.4
303.05161	1.0
339.07120	2.0
427.55130	1.1
465.10376	61.2
657.68469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77054	0.2
51.14954	0.2
55.01923	0.2
59.01392	0.9
63.77939	0.2
64.29704	0.2
71.01383	0.2
72.49378	0.2
83.65449	0.2
85.02955	1.0
87.00877	0.3
91.94519	0.3
93.03470	1.0
107.55918	0.2
108.84504	0.2
108.89659	0.2
109.02988	0.3
119.05057	0.3
121.02942	0.5
127.04071	0.3
131.07182	0.2
133.02959	0.5
134.03741	100.0
135.04085	0.5
137.02440	5.3
139.04042	1.9
149.06085	33.0
150.03282	0.9
161.02448	0.4
173.04500	0.3
178.00420	0.3
178.02721	27.0
191.05624	14.1
192.05966	4.2
193.05051	94.2
194.05330	0.9
235.06082	0.4
293.12347	1.3
353.08881	0.5
355.10312	4.4
446.92676	0.3
500.38416	0.2
691.63092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28939	7.3
59.01390	50.2
59.65418	7.7
61.98834	15.1
67.84888	9.1
71.01386	12.1
72.65335	8.3
72.75648	9.2
85.00745	9.7
86.51804	8.3
89.02438	13.0
96.95968	12.4
101.02443	13.7
113.02499	9.5
114.38811	9.5
116.45422	9.1
116.92854	19.9
124.76163	9.5
170.31479	10.2
183.42487	11.0
207.69986	9.6
237.30934	10.5
279.23254	62.6
321.01138	9.9
397.13638	96.4
415.14484	23.8
526.40741	10.7
677.37720	12.2
713.35138	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	713.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58886	0.5
54.83017	0.4
55.01894	1.9
57.03468	0.8
58.00604	0.8
58.84161	0.4
58.98533	0.4
59.01384	43.8
61.82043	0.4
61.98849	0.8
68.11140	0.4
69.03452	2.3
71.01381	26.0
72.99317	1.9
73.02940	6.5
75.00897	0.5
78.48090	0.5
81.03475	2.1
83.01397	2.8
83.05009	0.5
85.02962	6.8
86.00099	0.6
87.00871	5.2
89.02442	28.5
95.01414	0.9
97.02930	5.8
99.00886	3.0
99.04554	0.5
101.02441	21.1
109.02951	0.6
111.04539	0.9
113.02456	11.5
113.03152	0.7
115.04039	0.5
119.03503	8.1
123.04451	0.5
125.02418	8.2
131.03523	0.6
133.05020	0.5
139.03999	0.6
143.03516	2.6
150.02985	0.5
161.04587	4.0
179.05632	3.1
190.65221	0.6
221.06682	2.3
233.15517	1.1
233.77571	0.5
235.08243	8.5
253.09299	2.5
255.23325	100.0
256.23541	0.9
263.07712	0.6
287.07733	2.3
305.08884	3.4
308.28409	0.4
323.09885	0.8
397.13568	89.3
398.13867	0.6
415.14645	27.2
461.38181	0.5
466.39819	0.5
653.37701	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	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01389	15.5
61.98838	8.1
71.01382	2.6
71.41402	1.6
73.02960	1.5
83.07417	1.8
87.00885	3.0
89.02429	3.8
96.96487	2.0
97.06586	9.7
101.02463	3.7
108.80403	1.9
151.11293	25.1
169.12349	84.9
179.93001	1.9
195.10333	3.3
207.20439	1.9
213.11356	8.1
235.08105	2.4
277.21750	86.4
332.47879	2.0
413.70978	2.2
449.20535	3.6
709.41736	100.0
710.41949	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	709.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60569	0.7
53.69650	0.7
57.03457	1.5
59.01388	3.6
63.02406	0.8
65.00331	15.8
67.99097	0.8
71.01373	1.9
72.99312	1.8
76.55142	1.0
76.64304	0.8
83.01392	8.8
84.47697	0.8
87.00845	3.1
89.02431	1.3
92.10851	1.0
96.96004	14.6
101.02472	1.0
107.01389	31.6
113.02425	1.1
115.00386	1.8
123.04525	10.5
125.02435	11.5
133.02934	4.8
135.04520	2.0
137.06117	0.8
149.02457	1.5
150.03217	11.0
151.00377	100.0
151.04010	29.8
151.05197	1.2
152.01170	8.8
155.07111	1.3
169.01389	4.0
175.02469	3.6
175.04037	3.9
176.01141	1.0
177.01888	1.5
178.99861	10.6
187.04030	1.2
199.04076	1.9
199.09743	1.3
241.05029	1.4
243.12413	7.0
257.04642	1.1
270.83133	0.9
285.04083	68.4
293.26752	0.9
303.05249	1.9
321.15750	1.1
339.07285	2.0
465.10431	56.5
491.43204	1.0
527.10748	1.0
544.94843	1.0
589.57965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01391	13.3
61.98835	4.4
71.01373	4.6
80.65818	1.9
85.90697	2.2
89.02457	3.7
92.39106	2.4
116.92894	2.5
151.11290	14.9
169.12341	100.0
177.83522	2.2
187.58046	2.3
187.78629	2.5
213.11391	11.6
277.21777	22.0
351.14624	2.5
449.20419	3.6
459.67755	2.7
602.44971	2.7
665.62085	2.9
709.41791	88.3
710.42920	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	709.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01376	1.2
67.01912	0.2
71.01393	0.7
73.02948	0.1
81.03472	0.2
83.01409	0.1
83.05040	0.1
85.02949	7.2
85.03452	0.3
87.00858	1.4
89.02422	0.2
92.67040	0.1
93.03449	2.6
101.02471	0.2
109.02969	0.7
111.04524	1.4
127.04012	2.1
133.02939	0.9
134.03671	0.2
135.04497	1.4
137.02408	0.2
155.03450	0.1
161.02475	1.9
163.29739	0.1
167.03398	0.1
171.02995	0.5
173.04541	1.6
177.01971	0.2
179.03470	0.9
191.05627	100.0
192.05977	1.3
193.06128	0.5
216.05882	0.1
353.08838	8.4
354.09171	0.2
355.09616	0.1
379.68530	0.1
532.89984	0.1
556.28607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.5
59.01387	3.2
59.35481	0.5
61.98840	0.9
65.06248	0.5
70.40325	0.4
71.01379	0.4
76.23854	0.4
95.54546	0.5
116.92857	0.8
122.63919	0.5
137.09714	2.4
139.11288	1.1
147.08208	0.9
149.09729	8.4
163.11305	6.0
167.10782	2.6
169.12302	5.2
175.11288	5.3
179.14441	0.8
187.11305	2.0
189.12860	4.4
191.14435	100.0
192.14749	1.0
195.13954	0.7
205.12363	9.5
209.15446	3.6
235.13438	12.0
235.17052	0.7
284.82471	0.5
387.25540	3.1
405.26511	38.4
406.27066	0.7
519.35516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06662	1.2
52.28959	1.3
57.03446	8.1
59.01379	10.8
60.57301	1.5
63.02402	7.1
65.00322	10.6
71.01369	4.0
80.24640	1.6
83.01388	12.3
89.02415	3.0
95.01376	2.1
96.23969	1.6
97.02929	2.1
97.17812	1.4
107.01387	26.6
108.02185	3.7
111.08147	1.8
113.99696	1.8
121.02958	3.1
123.00887	22.9
123.04497	3.5
124.01619	14.4
125.02424	40.4
137.02432	9.8
147.00903	1.6
149.02464	3.4
150.03215	7.4
151.00365	54.0
151.03928	2.9
152.01187	2.1
161.02460	2.1
162.03185	7.0
164.01167	1.9
165.01917	10.6
165.05550	3.7
167.03522	13.6
169.01425	15.8
177.01917	2.1
178.99855	49.3
181.12398	2.3
197.05907	2.5
201.05519	6.7
211.04002	2.5
213.05594	36.7
215.07213	2.6
223.07445	1.7
225.05626	6.0
227.03447	6.7
229.05029	6.8
236.04884	2.4
240.04285	3.2
241.05052	58.1
249.05637	2.2
251.03445	6.7
252.15079	2.2
253.04971	7.9
255.03006	3.1
257.04602	3.3
263.03326	3.2
265.05054	3.2
267.02975	3.2
269.04559	16.7
272.06903	8.0
277.05038	2.2
278.05893	2.2
279.06586	7.4
281.04630	13.2
287.09271	46.9
299.09375	3.7
303.06537	5.9
305.04517	3.7
307.02658	1.9
307.05994	3.5
321.03955	2.3
347.05853	3.8
349.07291	2.9
363.05099	2.7
365.06610	30.5
375.04947	2.6
377.02921	2.4
387.05127	2.2
391.04572	30.4
393.06183	55.7
415.04266	3.2
421.05707	24.9
541.07977	7.4
559.08838	100.0
577.09808	24.1
583.10846	2.4
606.64063	1.8
633.49622	1.6
642.85736	1.9
709.14160	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	707.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46129	0.1
55.12859	0.1
56.26019	0.2
59.01379	1.2
67.01900	0.7
69.03467	0.2
70.72760	0.1
71.01395	0.8
72.99309	0.3
73.02949	0.2
81.03490	0.2
83.05016	0.3
85.02953	6.7
87.00880	2.5
91.07733	0.2
93.03458	5.7
93.04014	0.3
95.05019	0.2
96.96017	0.2
99.04517	0.2
101.02408	0.2
105.03471	1.1
107.05074	0.3
109.02957	1.5
111.04536	1.5
119.64636	0.2
127.04033	1.9
133.02959	6.7
134.03664	0.4
135.03612	0.2
135.04552	3.5
150.03311	0.2
155.03435	0.2
161.02422	1.9
171.03014	0.3
173.04565	4.5
175.28384	0.2
177.01978	1.6
179.03455	1.7
180.38403	0.2
191.05637	100.0
192.06000	1.0
196.13445	0.2
215.05629	1.8
220.64754	0.2
351.07339	3.8
353.08823	11.2
416.83655	0.2
643.75043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03464	0.4
59.01389	3.9
61.98845	0.3
62.13007	0.2
66.24306	0.2
71.01392	2.4
71.29935	0.2
72.61229	0.2
80.02686	1.2
81.03468	1.5
83.01388	0.4
83.05029	6.0
84.02200	1.0
85.02950	0.4
87.00866	0.3
88.98829	0.3
89.02449	1.9
89.62875	0.3
95.05042	0.4
101.02440	2.2
109.77388	0.2
113.02494	1.2
116.92924	0.3
119.03508	0.4
121.57604	0.3
125.02455	0.3
125.06123	0.3
125.09765	0.3
135.08156	0.5
161.04568	1.1
163.11337	4.7
165.12886	2.7
171.10263	0.9
181.12395	0.5
191.10808	1.3
197.11934	0.3
209.11867	100.0
210.12224	0.4
225.24176	0.3
225.51099	0.2
227.12943	10.9
235.08340	1.3
243.06104	0.3
247.13602	0.3
253.09296	4.8
267.16058	0.3
445.21097	1.8
463.21906	0.3
645.38068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83090	0.4
53.45337	0.4
57.03455	24.0
59.01385	0.9
60.99299	0.5
61.98823	0.6
65.35374	0.4
65.80381	0.4
71.01402	0.7
80.96524	1.0
81.92738	0.4
83.05031	0.5
97.06590	11.3
102.47964	0.4
124.01637	0.4
125.09717	6.3
137.09761	0.7
161.74895	0.5
189.16513	2.6
191.14417	2.4
202.27235	0.6
205.50305	0.5
207.17569	100.0
208.17868	3.6
209.18307	0.6
211.13466	0.6
225.18640	2.3
249.15173	0.7
251.16544	31.6
252.16853	1.0
278.61371	0.5
306.00214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61012	0.1
57.03467	0.2
78.75796	0.1
79.95744	2.2
89.41792	0.1
96.96010	100.0
100.82836	0.1
108.63834	0.1
115.20350	0.1
122.03757	0.1
125.02436	1.6
126.34632	0.1
137.02464	0.4
139.04004	0.2
149.02432	0.1
167.03448	0.1
177.01961	1.3
219.06551	0.1
255.03006	0.5
283.02530	0.2
295.57599	0.1
297.04041	0.2
305.06674	0.6
423.07190	1.0
441.08499	0.5
580.48346	0.1
609.12292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93855	0.7
54.82623	0.8
57.03455	1.7
59.01383	10.2
59.01646	1.1
61.57767	0.9
71.01359	7.1
73.02959	0.9
76.70715	0.9
85.02961	1.7
87.00887	1.2
89.02471	2.5
93.03455	5.5
94.09167	1.2
101.02454	4.8
108.02206	2.2
109.02951	6.1
112.14999	1.1
113.02455	1.4
117.03413	1.3
121.02953	27.8
122.03728	20.7
123.04530	9.3
124.01705	1.3
125.02442	1.9
132.02155	8.3
133.02953	44.1
134.03754	15.5
135.04514	9.2
136.05307	2.2
137.02443	1.6
139.04074	1.2
145.02960	18.4
146.03746	2.2
147.04515	10.2
148.05305	1.3
149.02443	45.4
149.03601	2.2
149.06062	22.4
150.03224	85.2
151.04004	4.4
151.07677	1.3
154.02780	1.3
161.02470	2.3
161.04828	1.8
161.06018	10.4
162.03230	5.4
163.03969	10.1
163.07645	1.5
164.04794	11.2
165.05562	43.6
170.99355	1.0
177.05623	1.7
180.04398	3.6
190.06335	6.5
191.07121	9.8
195.06664	15.3
203.07222	1.4
225.97044	1.1
259.96426	1.0
299.12921	1.5
313.10843	2.2
314.11646	4.8
328.13187	54.9
329.13965	24.1
341.13861	4.5
342.14804	7.8
343.15527	88.7
354.14874	1.6
397.16626	19.6
476.18356	1.4
479.31638	1.9
491.20804	100.0
492.21259	2.2
503.20831	22.7
521.21735	27.6
539.22870	54.3
641.37659	15.2
683.32776	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	703.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83245	0.2
57.03463	0.3
59.01385	1.3
60.99316	0.9
67.01896	3.5
69.03470	1.2
71.01381	2.0
75.34547	0.2
81.03470	1.0
83.05052	0.4
85.02953	4.2
87.00877	6.4
87.01366	0.3
93.03454	23.4
96.96031	0.3
99.04557	0.8
109.02983	0.5
111.04531	4.7
113.02507	0.2
114.40569	0.2
119.05019	9.4
127.03994	1.5
129.01939	1.1
137.02470	0.3
145.02942	1.8
153.01971	0.3
153.41043	0.2
155.03519	1.0
163.04016	8.1
173.04559	14.1
177.02032	0.2
191.05630	100.0
192.06039	0.4
193.06209	0.2
203.09238	1.5
284.03766	0.2
337.09357	29.9
338.09863	0.3
422.95203	0.2
463.18216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.4
57.03481	0.3
58.00614	1.3
59.01388	6.1
65.30357	0.3
69.03469	0.7
71.01377	3.1
73.02988	0.5
73.79121	0.2
80.02708	0.4
81.03463	1.1
83.05024	3.9
84.02195	0.5
85.02969	0.7
87.00867	0.4
89.02437	3.1
95.05015	1.0
101.02443	3.5
109.06588	0.4
113.02444	1.7
116.92857	0.3
119.03496	0.7
121.82780	0.3
135.08093	0.5
136.12984	0.3
141.60193	0.3
143.03540	0.3
145.05048	0.4
151.11288	0.5
153.12875	1.8
161.04628	1.3
163.11308	3.3
165.12827	2.0
169.12357	8.1
171.10403	0.4
179.10782	0.5
181.12323	0.4
191.10818	0.7
197.11848	100.0
198.12187	0.7
205.15904	0.5
209.11853	74.6
210.12183	0.6
223.17104	0.5
227.12906	8.5
235.08308	2.5
249.14937	0.4
251.16556	1.7
253.09322	7.8
267.16028	0.7
389.23132	0.4
433.20825	7.5
445.20987	2.1
607.30884	1.4
625.31805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	0.8
83.18597	0.8
88.98799	5.8
92.10068	3.2
107.01414	1.5
108.02218	0.9
109.02989	1.1
148.01694	1.0
151.00404	12.0
163.00378	3.0
173.86687	0.7
178.99873	6.2
192.00729	1.1
226.02756	1.3
227.03613	1.3
243.03049	8.7
245.04703	1.2
254.02138	1.3
255.03018	25.3
271.02518	51.0
272.03000	0.8
299.02081	1.3
300.02805	100.0
301.03577	34.9
609.14734	74.0
610.15363	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87215	0.3
59.01387	100.0
60.34502	0.3
94.72646	0.3
157.49788	0.3
183.70395	0.3
199.12468	0.3
437.12476	2.5
438.13416	7.9
451.14136	1.7
452.15179	3.4
453.15573	0.7
465.11771	0.5
467.13577	1.3
480.14417	2.2
481.15265	51.1
482.16055	2.6
488.13681	0.6
495.16891	19.5
496.17422	1.4
497.18591	5.3
514.14990	4.0
523.16571	1.3
525.14294	2.0
528.16479	0.3
539.15814	2.4
540.16516	9.2
551.18817	0.4
554.18048	2.5
555.18976	58.9
556.19299	2.4
567.18805	1.7
572.15601	25.1
573.15515	1.3
586.17126	8.3
609.20105	2.1
627.20868	1.3
641.22656	33.8
642.22827	1.3
701.24780	68.7
702.24921	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	701.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
56.13860	0.7
57.03460	2.2
59.01387	28.6
61.98858	1.6
62.45996	0.8
69.03477	1.3
71.01389	24.4
73.02957	6.3
83.01412	4.9
84.67935	1.1
85.02959	10.8
87.00885	1.7
89.02456	15.7
93.03487	2.0
95.01408	1.6
99.00925	1.9
101.02447	22.5
108.02165	1.5
109.02979	2.0
111.00894	1.0
113.02448	9.0
117.03593	0.9
119.03531	6.0
121.02962	15.7
122.03752	16.1
123.04546	5.3
124.01616	0.9
125.02434	1.9
132.02194	4.2
133.02968	15.3
134.03784	5.7
135.04526	5.1
137.02457	1.5
137.88373	0.8
141.09192	1.1
145.02994	8.7
146.03741	2.1
147.04556	4.0
149.02463	24.8
149.06070	11.0
149.64893	0.8
150.03239	100.0
151.04028	3.6
157.08742	1.5
159.03113	1.3
161.02449	1.5
161.04695	2.9
161.06099	3.9
162.03210	5.0
163.04077	3.7
164.04802	8.4
165.05576	86.5
169.51038	0.9
171.72183	1.1
177.05612	1.5
179.07202	1.4
180.04315	5.8
180.07832	1.0
181.05150	1.2
183.10272	3.4
189.05576	1.1
190.06375	1.1
191.07149	5.3
195.06647	31.5
203.09326	3.4
203.14371	0.9
239.13130	0.9
255.16148	1.2
267.15848	1.2
313.10922	2.1
314.11694	1.6
317.27017	1.7
327.12415	1.3
328.13217	26.0
329.13989	10.0
337.19815	0.9
342.14758	1.3
342.32373	1.2
343.15540	54.6
357.17334	1.2
397.16516	8.2
479.32278	12.4
491.20834	43.5
503.20724	14.7
521.21918	18.4
539.22894	29.5
641.37701	61.4
701.35468	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	695.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35976	0.3
59.01389	100.0
61.98855	0.6
74.67448	0.4
78.95918	6.9
205.88113	0.5
381.63733	0.4
585.40594	0.4
686.16052	0.5
695.31299	30.3
696.31567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89474	0.2
58.00612	1.4
59.01372	2.1
71.01389	0.3
72.99306	17.2
75.00887	0.3
79.52863	0.2
85.02954	0.4
87.00883	2.4
89.02455	0.3
91.05530	8.7
93.03481	1.0
96.96019	0.5
101.02469	0.4
106.04271	1.5
107.05035	9.3
107.05697	0.5
108.02183	0.6
115.05529	2.7
117.03453	5.2
118.59796	0.2
119.05054	0.4
121.02969	1.5
131.05026	3.7
131.07123	0.5
133.02933	0.3
133.06595	9.0
135.04565	2.5
144.24661	0.3
147.04532	1.5
149.06093	50.1
149.40640	0.2
159.04530	0.4
161.02452	0.4
163.04015	9.9
165.05649	0.4
167.07162	0.4
177.05589	25.1
179.03506	25.1
191.05649	3.8
192.06010	0.3
193.04979	1.0
195.06650	3.3
198.63925	0.3
221.04567	0.9
239.05635	100.0
240.06041	0.5
293.12436	1.3
457.17398	0.8
491.10638	0.3
505.29431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83444	0.3
57.03450	3.5
59.01386	0.5
61.92979	0.3
68.75127	0.3
69.03467	0.7
71.01370	0.5
80.02679	0.4
81.03448	4.8
81.03870	0.4
81.81696	0.3
83.01379	3.9
92.10097	0.4
93.03466	2.6
95.01392	0.5
95.05016	4.9
95.12452	0.3
97.02945	9.9
99.04539	0.8
104.85969	0.3
107.05048	0.4
108.02190	0.7
109.02956	39.3
109.20217	0.3
111.80846	0.3
121.02956	5.4
122.03739	1.5
122.39884	0.3
122.89603	0.3
123.00899	0.4
123.04522	25.2
124.01642	0.5
125.02445	26.2
135.04504	3.9
137.02448	13.2
138.03233	1.7
139.04007	5.5
145.02960	2.3
146.03757	1.6
147.04510	0.8
149.02460	6.1
149.06055	0.4
150.03256	1.6
151.04021	13.6
157.06590	0.4
159.04559	3.4
160.05305	2.5
161.02457	1.3
161.06082	7.8
162.03224	1.8
163.03998	1.5
164.01180	4.1
165.01933	5.7
166.02699	0.7
167.03528	2.2
173.04631	0.6
173.06087	1.8
174.03209	0.7
174.06917	0.4
175.04021	3.1
175.07632	3.3
177.05634	0.8
179.03528	8.0
185.06105	1.8
187.04005	7.7
188.04803	6.2
191.05498	0.4
199.07739	0.7
201.05589	1.7
202.06381	3.6
203.07162	20.3
205.05081	12.0
212.04785	0.7
217.08705	0.5
221.08218	6.3
227.07201	3.3
230.05861	0.6
231.03053	0.5
245.08214	26.2
247.06166	0.5
271.06137	1.6
289.07214	100.0
290.07587	0.6
401.24091	0.4
419.19830	0.4
502.24792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40794	5.8
57.03474	7.9
59.01390	67.4
69.94167	6.8
96.95991	8.2
115.03960	7.2
125.02503	7.7
165.01880	7.3
193.12306	9.8
209.11844	100.0
211.13382	73.0
225.15033	52.2
227.12930	8.7
255.15813	9.2
267.16019	16.4
295.22815	11.5
693.33099	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	695.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69386	0.5
53.86747	0.6
54.88726	0.7
58.24774	0.6
60.48718	0.6
71.03503	0.7
74.38534	0.8
81.87151	0.8
84.95103	1.3
99.92587	7.2
116.92859	100.0
199.50876	0.7
204.26036	0.8
293.04617	3.8
300.02893	1.0
482.87415	0.8
577.15179	1.4
620.29230	1.1
628.15057	0.9
651.28204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68153	0.2
54.13687	0.2
56.77426	0.2
59.01382	2.4
59.50890	0.2
64.34382	0.2
64.34702	0.2
66.65865	0.2
67.01902	0.3
67.22204	0.2
71.01392	1.5
73.02924	0.2
85.02947	6.8
87.00870	1.6
89.02456	1.1
92.10154	0.4
93.03439	2.8
96.96032	1.1
99.00873	0.3
99.92587	0.3
101.02445	0.3
109.02988	0.5
111.04540	0.9
116.92863	4.8
117.03474	0.3
119.03500	0.3
119.05054	1.0
127.04008	1.7
129.01947	0.3
133.02962	9.1
135.04530	4.9
146.86192	0.2
161.02455	35.8
163.03976	1.8
171.03050	0.3
173.04573	1.7
177.01945	0.5
177.05585	0.4
179.03542	4.9
191.05641	100.0
192.05960	0.8
195.05186	0.5
221.04599	0.4
341.08829	11.9
351.07056	0.3
352.07379	0.3
353.08847	11.3
497.38251	0.2
649.86859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
67.01927	0.2
71.01396	1.4
72.99326	0.6
85.02952	6.7
87.00890	1.1
89.02438	0.6
93.03461	2.6
96.95995	1.9
100.30818	0.3
101.02442	0.3
111.04522	0.6
114.53399	0.3
116.92872	6.5
127.03996	1.9
131.07150	1.1
133.02948	4.7
134.03731	0.5
135.04544	2.4
149.06166	0.5
161.02455	14.6
163.03996	0.3
171.03011	0.5
173.04514	1.1
177.01923	0.4
177.05649	0.4
179.03516	3.2
191.05629	100.0
192.05934	0.5
221.09772	0.3
236.87448	0.3
239.05605	0.5
293.12332	2.0
341.08832	4.4
353.08798	11.0
387.56671	0.3
403.70728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.1
59.01387	1.1
60.99316	0.1
67.01910	0.2
69.03479	0.1
71.01392	0.7
73.02949	0.2
76.48613	0.1
77.57897	0.1
81.03465	0.2
83.05046	0.3
85.02959	7.0
87.00880	1.9
92.10080	0.2
93.03455	2.9
99.00886	0.1
99.04534	0.1
109.02950	0.5
110.57876	0.1
111.04533	1.3
113.02452	0.1
127.04007	2.3
133.02953	1.4
134.03343	0.1
135.04514	0.4
137.02391	0.3
143.03500	0.1
153.01904	0.1
161.02451	2.8
163.04018	0.1
168.84029	0.1
171.02998	0.4
173.04544	1.3
174.24997	0.1
177.01895	0.1
179.03503	0.5
183.04245	0.1
191.05641	100.0
192.06007	0.9
215.90311	0.1
218.56360	0.1
274.06125	0.1
353.08841	11.4
656.97955	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09329	0.5
57.03452	4.7
59.01389	3.0
60.31276	0.4
69.03457	1.0
69.45152	0.5
71.01402	2.8
73.02937	0.6
73.69701	0.5
80.02683	0.6
81.03461	5.6
81.42538	0.4
83.01391	6.2
83.25819	0.5
85.02966	1.3
87.00895	1.1
89.02454	0.6
93.03471	2.6
95.01413	0.8
95.05022	6.3
96.95995	0.8
97.02949	10.3
99.04554	1.0
101.02455	0.8
107.05034	0.6
108.02180	2.0
109.02961	41.0
113.02424	0.7
121.02965	5.2
122.03732	0.9
123.04533	29.8
125.02450	27.2
133.03029	0.5
135.04529	3.5
137.02451	15.5
138.03218	1.1
139.04004	7.0
145.02924	0.9
146.03755	2.2
147.04539	0.6
149.02470	6.6
150.03246	2.1
151.04027	17.0
158.03778	0.5
159.04521	3.6
160.05286	3.0
161.02448	1.0
161.06090	8.2
162.03192	2.8
163.04008	2.8
164.01170	5.5
165.01945	5.0
166.02727	0.8
167.03479	4.5
173.06050	1.0
174.03333	0.5
175.04025	3.9
175.07658	3.2
177.05525	0.8
179.03516	8.8
180.02806	0.5
180.04285	0.6
185.06123	1.2
187.04008	8.4
188.04814	5.8
191.05659	0.7
199.07721	0.6
201.05583	0.6
202.06358	3.5
203.07190	20.0
203.09071	0.9
205.05083	10.9
212.04814	0.8
221.08197	5.6
227.07240	3.5
230.05765	0.7
245.05675	0.8
245.08206	23.5
247.06094	1.1
271.06180	1.1
289.07217	100.0
297.13364	0.8
347.11725	2.7
394.39294	0.5
401.14432	2.8
401.18970	1.4
650.81097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
57.21492	0.2
59.01385	1.0
60.70000	0.2
62.85090	0.2
71.01408	0.4
73.02968	0.5
79.95733	2.6
89.02446	0.3
96.96012	100.0
133.02960	0.9
137.25430	0.2
179.76842	0.3
241.04936	0.3
279.35974	0.3
285.04053	0.3
290.79318	0.2
297.04123	0.3
298.04755	1.0
299.05609	1.2
303.18112	0.4
309.04114	3.4
327.05127	3.4
357.06158	1.2
417.64917	0.2
429.08093	0.4
458.30396	0.3
473.10687	0.4
522.26056	0.2
593.15265	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	691.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61300	0.1
59.01382	0.9
67.01875	0.2
68.01443	0.1
71.01392	0.8
73.02929	0.2
77.48595	0.1
81.03481	0.2
83.05048	0.2
83.94533	0.1
85.02960	7.3
85.03458	0.2
85.15153	0.1
86.19470	0.1
87.00882	1.5
90.62430	0.1
93.03465	2.6
102.67081	0.2
109.02952	0.5
111.04541	0.9
127.04025	2.2
133.02983	1.5
135.04550	0.4
145.97655	0.2
155.03461	0.2
161.02449	3.4
171.03050	0.7
173.04584	1.2
179.03470	0.3
191.05638	100.0
192.05995	1.0
215.55396	0.1
240.14355	0.2
353.08835	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	691.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13732	0.1
54.83056	0.1
55.49126	0.1
70.58347	0.1
79.95739	2.3
89.69154	0.1
96.96012	100.0
109.02947	0.2
125.02448	1.1
137.02467	0.3
173.59264	0.1
175.70882	0.1
177.01953	0.9
187.04161	0.1
194.02837	0.1
245.08238	0.2
289.07208	0.3
299.78226	0.1
314.45963	0.1
317.89087	0.1
400.32458	0.1
407.07764	0.4
425.08813	0.6
467.09866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79043	0.1
76.57852	0.2
79.95735	2.0
80.55098	0.1
96.96009	100.0
121.02994	0.2
125.02454	1.2
131.21835	0.2
137.02448	0.2
149.02393	0.2
161.02310	0.2
168.84312	0.2
177.01944	0.7
179.26349	0.2
185.06944	0.2
220.85356	0.2
255.02983	0.2
310.27777	0.2
407.07614	0.4
423.07449	0.3
425.08884	0.4
473.58264	0.2
573.26715	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40011	7.0
59.01392	81.7
61.98845	16.2
62.71865	6.5
64.75382	7.5
71.01409	14.2
75.04887	7.2
84.61523	8.3
89.02460	16.1
94.80558	7.1
97.29744	6.8
100.51413	7.8
101.02476	9.5
116.92896	14.7
124.23731	7.5
126.64788	7.1
231.13998	12.0
235.08208	8.4
255.23409	54.4
341.28003	8.6
397.13458	97.6
415.14554	14.5
689.35754	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	689.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54287	0.3
57.03457	25.3
57.16985	0.4
58.03791	0.4
59.01386	0.5
60.99321	0.6
61.98822	0.6
64.34518	0.5
67.89406	0.5
72.17995	0.4
87.60565	0.4
97.06589	11.1
116.92863	0.5
125.09724	6.7
137.09683	2.1
141.05403	0.4
145.97139	0.5
153.58607	0.5
189.16504	3.6
191.14453	0.9
207.17555	100.0
208.17899	4.2
225.18593	1.0
230.07150	0.5
251.16536	31.8
252.16798	1.1
465.73425	0.5
468.66727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95881	0.2
57.03456	2.7
59.01391	3.7
65.00346	0.5
71.01392	22.4
71.05045	0.5
73.02965	2.3
74.12421	0.3
75.00915	0.4
83.01408	0.3
83.05069	0.5
85.02969	4.7
87.00893	5.0
87.04501	0.4
89.02454	53.9
97.03004	0.3
97.06610	0.7
97.60126	0.3
99.04530	0.5
103.04030	0.7
103.31467	0.3
107.01390	1.2
109.06593	0.6
111.08153	1.3
123.08179	2.5
125.02453	1.3
125.06097	0.4
127.07628	0.6
127.51592	0.3
132.82388	0.3
137.09689	0.4
151.00388	2.7
153.09273	0.3
165.00153	3.5
167.10796	0.5
171.97939	0.3
179.03529	0.3
179.98859	2.0
181.12326	0.8
186.17781	0.3
193.12286	0.4
197.08171	0.4
207.98329	2.8
208.99217	0.5
215.09372	2.5
228.07274	0.3
257.10345	0.8
283.15494	0.4
299.15021	3.1
300.15381	2.1
301.16592	100.0
302.16956	0.7
317.01337	4.2
341.03348	2.1
377.48874	0.4
384.71149	0.4
467.06308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
57.03461	0.7
58.00602	1.6
59.01387	62.1
71.01385	27.3
72.99317	2.1
73.02930	0.4
79.06580	0.3
83.01395	1.5
85.02961	6.0
87.13895	0.4
89.02447	36.0
95.01406	2.0
96.96014	8.6
101.02454	23.1
111.08134	0.4
113.02464	11.5
119.03508	14.1
125.02506	0.5
131.03561	0.5
155.07144	3.9
160.04007	0.4
161.04552	0.4
173.08212	2.3
179.05682	0.5
216.18878	0.4
335.13553	100.0
336.14053	1.5
709.72552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.7
55.01882	0.8
57.03456	0.9
58.00599	0.7
59.01386	11.8
61.40946	0.4
61.98854	0.9
62.80161	0.4
63.49163	0.4
71.01389	68.2
73.02966	3.3
80.02709	2.2
81.03463	3.5
83.01408	0.9
83.05042	8.2
84.02200	2.4
85.02972	2.8
87.00912	1.6
89.02467	5.0
92.66796	0.4
93.03438	0.4
95.01387	0.5
95.05035	2.8
97.02956	3.9
101.02456	5.8
104.60250	0.4
107.05045	0.6
109.06595	10.4
110.03789	2.1
111.04565	0.6
113.02483	3.1
115.69061	0.4
119.03527	1.0
123.08228	0.5
125.06094	0.7
125.09730	3.0
127.11279	1.1
135.08188	3.5
136.05287	1.1
138.49361	0.4
139.11267	0.5
142.02734	0.8
143.03470	0.5
151.07712	0.5
155.10789	0.8
161.04611	0.7
161.09727	0.9
163.10010	0.8
163.11298	15.8
165.09163	0.7
165.11728	0.5
165.12865	4.1
171.10297	21.6
176.33136	0.5
179.10768	0.9
181.12350	4.7
184.09242	0.5
185.11830	2.3
188.52760	0.5
189.09204	1.1
191.10791	1.1
197.11865	0.8
199.09703	0.6
201.11363	8.3
207.08308	0.8
207.10306	29.0
209.11871	100.0
210.12234	0.8
215.12912	0.7
221.11900	0.6
225.11368	23.3
227.12933	6.4
235.08223	2.0
243.12360	0.5
246.17635	0.5
251.12941	0.8
253.09361	6.6
399.22003	1.0
417.22775	1.1
443.19183	0.7
461.20593	4.9
576.37549	0.5
629.39410	0.7
635.31244	0.7
653.32654	2.1
671.32983	2.0
672.34259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01712	0.8
59.01393	7.4
59.22390	1.0
59.43981	0.9
68.02663	1.0
71.01384	4.9
79.82067	1.1
85.02978	1.8
87.00901	1.1
89.02449	1.2
94.93010	1.2
97.06611	4.4
99.04499	2.0
107.01431	1.7
113.02510	1.6
122.03860	1.3
123.08193	2.2
127.25277	1.0
135.04520	1.2
137.02477	1.1
141.09273	1.9
149.06139	2.5
150.06868	58.9
151.00351	2.7
151.07411	1.1
157.08719	1.1
161.89378	1.0
163.07649	15.2
164.08424	8.6
165.01933	1.2
178.10071	1.5
179.10770	28.0
200.78847	1.2
201.11403	2.2
223.04271	1.1
229.10786	2.1
260.85416	1.3
267.16156	5.5
269.17722	4.8
283.27704	1.1
320.20053	2.2
341.23502	2.4
343.21356	8.2
364.22476	2.7
476.31714	1.7
477.32434	7.1
504.30875	2.6
505.31595	1.4
522.31641	7.6
523.32874	35.0
685.38257	100.0
686.38684	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	687.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03449	0.9
58.00605	0.8
59.01387	12.9
59.26484	1.0
61.98836	1.0
63.90022	0.9
69.03465	2.5
71.01384	9.0
71.05019	2.4
73.02954	1.4
79.31664	0.9
80.02637	1.2
81.03450	1.2
83.05032	8.2
85.02924	2.1
89.02439	6.4
100.03616	1.0
101.02438	7.9
105.07388	1.1
106.53264	1.1
107.05072	1.4
113.02451	4.0
116.92819	1.1
122.03748	1.5
123.04549	1.5
123.08199	1.7
125.09715	2.1
129.09241	0.9
135.04535	7.0
137.06137	1.5
151.07635	4.6
151.11284	4.0
153.12840	2.1
161.04524	1.7
161.09712	6.4
163.11258	6.5
165.09120	1.0
175.44432	0.9
179.10767	9.5
191.10861	1.2
197.11850	100.0
198.12022	1.2
209.11864	60.8
225.48593	0.9
227.12923	1.6
241.10857	5.3
253.09352	2.0
335.89371	1.2
377.53461	1.1
388.79956	1.0
465.32291	12.6
477.19684	2.0
477.25906	1.1
609.36981	1.2
627.37836	14.2
628.37354	1.1
687.32367	87.7
688.32703	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	685.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.7
67.65688	0.3
71.01402	2.4
71.49649	0.4
76.24536	0.4
83.06049	0.3
85.02985	0.5
97.02975	0.4
105.03491	0.5
109.03002	0.6
113.02472	0.6
117.03462	2.1
121.02942	0.9
122.03746	1.5
123.04507	0.8
131.43826	0.4
132.02188	2.3
133.02956	45.9
134.03746	5.0
135.04527	49.4
137.02440	1.9
145.02979	0.6
147.04597	0.5
149.06085	3.6
160.01671	0.4
161.02451	100.0
161.06049	3.9
162.02859	0.6
163.03995	2.1
167.07147	0.7
175.04008	2.2
177.01849	0.5
177.05547	3.9
178.02757	0.5
179.03514	22.2
179.07109	2.0
180.07941	18.5
180.09120	0.5
182.05899	1.9
190.06425	0.5
192.07919	4.2
193.04985	0.5
193.08748	1.8
194.05843	1.9
194.09546	0.4
195.06680	1.9
195.10385	0.4
203.03508	2.2
209.08276	0.5
212.06981	2.9
216.39919	0.4
221.04552	3.6
231.94691	0.4
245.04552	0.5
245.44870	0.4
263.05777	0.8
280.06052	0.5
283.09689	0.6
297.11172	0.9
298.12305	0.4
313.10815	2.4
316.13235	1.6
317.13818	0.6
323.07767	39.8
328.13354	4.3
331.15585	6.5
343.15579	3.2
347.15033	1.9
361.16510	4.8
502.66504	0.4
685.25110	33.7
686.24902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
55.68946	0.4
57.03473	0.5
57.46328	0.3
58.00602	2.2
59.01391	100.0
64.35217	0.4
71.01385	34.6
71.38190	0.3
72.99309	2.3
73.02935	0.7
76.52333	0.4
79.20123	0.3
83.01407	1.8
85.02960	8.4
87.00890	1.5
89.02442	45.4
95.01398	2.9
101.01781	0.6
101.02444	15.6
113.02450	12.3
119.03500	14.7
125.02409	0.4
131.03499	1.8
143.03508	3.5
149.04558	0.5
158.60590	0.4
161.04561	3.7
179.05647	11.0
179.07147	0.9
280.70810	0.4
306.10928	0.4
313.11041	0.5
341.10208	2.1
356.12521	0.7
371.14932	2.4
549.07086	0.5
553.51892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01712	0.8
59.01393	7.4
59.22390	1.0
59.43981	0.9
68.02663	1.0
71.01384	4.9
79.82067	1.1
85.02978	1.8
87.00901	1.1
89.02449	1.2
94.93010	1.2
97.06611	4.4
99.04499	2.0
107.01431	1.7
113.02510	1.6
122.03860	1.3
123.08193	2.2
127.25277	1.0
135.04520	1.2
137.02477	1.1
141.09273	1.9
149.06139	2.5
150.06868	58.9
151.00351	2.7
151.07411	1.1
157.08719	1.1
161.89378	1.0
163.07649	15.2
164.08424	8.6
165.01933	1.2
178.10071	1.5
179.10770	28.0
200.78847	1.2
201.11403	2.2
223.04271	1.1
229.10786	2.1
260.85416	1.3
267.16156	5.5
269.17722	4.8
283.27704	1.1
320.20053	2.2
341.23502	2.4
343.21356	8.2
364.22476	2.7
476.31714	1.7
477.32434	7.1
504.30875	2.6
505.31595	1.4
522.31641	7.6
523.32874	35.0
685.38257	100.0
686.38684	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	685.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
71.01399	1.9
85.02946	0.6
92.09931	0.3
101.02439	0.6
105.03468	1.3
107.05017	0.6
108.02238	0.3
109.02958	0.6
111.91380	0.3
113.02451	0.7
117.03489	1.4
121.02959	1.7
122.03754	1.4
123.04557	0.5
127.10311	0.3
132.02147	2.1
133.01915	0.8
133.02954	39.9
134.03755	3.5
135.04526	43.2
137.02437	1.3
145.02953	0.4
147.04555	0.5
148.05281	0.4
149.06090	4.0
151.03992	1.4
159.04512	0.5
160.01579	0.4
161.02449	100.0
161.06026	4.0
162.02756	0.4
162.06912	0.3
163.03958	1.8
167.07066	0.5
175.03979	1.4
175.24846	0.3
177.05556	4.1
178.02658	0.5
179.03496	18.5
179.07083	1.5
180.07932	18.9
182.05899	1.3
190.06415	0.4
192.07959	2.6
193.05060	0.4
193.08658	1.9
194.05815	3.1
194.09554	0.4
195.06656	1.6
203.03534	1.6
209.08212	1.3
210.09081	0.5
212.06874	2.7
220.03699	0.7
221.04553	3.6
223.09987	0.3
226.08540	1.1
254.05801	0.6
263.05728	0.5
280.06039	0.6
297.11337	1.3
313.10828	2.9
316.13150	2.3
323.07758	34.4
328.13193	4.4
331.15579	7.4
343.15530	3.8
347.15134	1.2
361.16629	4.3
685.25098	31.6
686.25446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38603	2.0
57.03457	2.6
59.01387	10.4
61.98839	5.2
62.66475	2.0
66.76748	2.2
67.31262	2.3
71.01385	3.1
73.35621	2.0
74.28107	1.9
83.05032	4.5
89.02471	3.2
97.06578	19.1
101.02440	3.4
111.24211	2.1
121.02931	2.4
123.08147	8.9
125.09721	100.0
187.09769	66.5
191.14368	2.4
192.83456	2.1
238.44159	2.3
277.21686	14.5
365.94824	2.3
423.18604	12.8
500.65961	2.6
683.40216	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38603	2.0
57.03457	2.6
59.01387	10.4
61.98839	5.2
62.66475	2.0
66.76748	2.2
67.31262	2.3
71.01385	3.1
73.35621	2.0
74.28107	1.9
83.05032	4.5
89.02471	3.2
97.06578	19.1
101.02440	3.4
111.24211	2.1
121.02931	2.4
123.08147	8.9
125.09721	100.0
187.09769	66.5
191.14368	2.4
192.83456	2.1
238.44159	2.3
277.21686	14.5
365.94824	2.3
423.18604	12.8
500.65961	2.6
683.40216	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41469	0.7
59.01376	1.3
60.95366	0.9
92.08852	0.9
97.31101	1.0
100.73629	1.0
123.27781	1.0
123.78877	1.0
125.24422	1.0
246.12109	0.9
279.23325	100.0
280.23779	1.5
660.16620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01384	32.2
73.02960	0.9
87.00876	100.0
95.96520	0.8
108.02190	1.4
119.05026	3.6
121.02975	1.5
121.06624	5.5
123.04541	6.0
124.01657	1.4
125.02441	0.9
134.03758	0.8
135.04514	12.9
136.05307	13.4
136.79964	0.7
149.06091	0.8
151.04024	4.0
151.07689	8.6
156.10397	0.6
161.06099	0.9
164.54596	0.9
195.06644	98.1
196.06929	1.1
214.12111	0.6
221.08154	2.5
283.08273	97.9
283.15033	6.3
409.23557	0.8
577.84039	0.8
616.66498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76815	0.3
53.10649	0.3
59.01385	0.8
73.90833	0.3
89.02467	0.3
92.10169	0.7
93.03457	0.5
108.02129	0.6
109.02946	2.0
121.02959	7.5
122.03767	2.1
123.04514	0.8
131.48254	0.3
135.04532	6.5
137.02469	0.4
145.02951	0.4
147.04491	0.6
149.06087	1.4
151.88536	0.4
160.05307	1.6
161.06087	3.6
163.04018	5.8
165.01888	0.5
169.12325	0.6
172.05318	0.7
173.06058	0.8
177.05568	0.5
189.05579	1.7
190.06331	2.0
191.07178	2.1
203.07150	0.6
211.04056	0.4
212.04794	0.4
225.05634	0.7
226.06519	0.7
227.07162	0.4
237.05521	1.5
237.32771	0.5
238.06363	2.7
239.07198	1.7
240.04332	2.5
241.05048	0.4
249.05637	0.5
250.06555	0.5
251.07092	0.4
252.07904	0.4
253.05038	1.6
253.08534	0.6
254.05865	14.7
255.06636	2.1
265.05170	0.7
265.08707	0.5
266.05804	2.4
267.06653	2.6
267.16241	0.5
268.07385	3.1
269.08252	1.6
269.17700	3.0
270.05298	0.5
271.15753	0.4
279.10306	0.5
280.07288	0.8
281.08325	2.9
282.08987	4.5
286.04898	4.7
293.08142	0.6
294.08994	0.7
295.09723	4.0
296.06989	0.5
296.10419	0.5
305.08371	0.5
307.09750	1.7
308.10437	0.5
309.11365	2.2
314.07898	1.7
323.09412	4.2
324.10117	3.5
337.10895	0.9
351.12405	0.5
367.48489	0.4
385.16757	0.4
423.03369	0.4
430.14349	1.3
440.17648	0.4
443.14923	1.4
445.16626	0.8
446.13678	4.7
455.15207	0.9
459.17929	0.8
460.19647	0.6
461.16168	25.5
473.16040	10.7
476.18500	29.9
477.18594	0.8
487.17682	0.8
488.18420	13.3
489.18890	0.5
491.20840	100.0
492.20932	1.7
503.20831	53.3
504.21188	1.6
521.21838	6.1
683.36523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30421	0.2
57.03450	0.2
59.01387	1.3
67.01896	0.3
70.54357	0.2
71.01377	0.9
73.02949	0.2
74.89281	0.2
75.00863	0.3
81.03469	0.4
83.05022	0.3
85.02937	7.1
87.00862	2.9
93.03439	5.1
99.04517	0.2
109.02964	0.9
111.04532	1.3
119.05002	1.0
125.02467	0.3
127.04016	2.4
133.02953	1.9
135.04507	3.3
161.02415	2.7
163.04033	0.8
173.04573	1.7
179.03421	2.2
191.05614	100.0
192.05925	1.5
193.06091	0.9
227.99121	0.2
265.08386	0.4
276.54208	0.2
285.87177	0.2
299.04800	0.2
327.08691	1.6
334.74991	0.2
337.09360	1.1
341.08820	1.2
353.08786	12.0
430.24628	0.3
487.46365	0.2
502.55402	0.2
679.19043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01399	2.0
63.02408	1.1
64.34496	0.5
65.00326	18.7
65.52540	0.4
70.07780	0.6
71.01361	0.6
83.01389	9.0
93.03474	0.7
95.01395	0.5
101.02461	0.8
105.03452	0.6
107.01397	28.9
109.02923	0.6
112.43001	0.5
123.04515	11.0
123.08192	0.6
123.96100	0.5
124.01660	2.1
125.02451	10.6
133.02946	5.6
135.04578	4.7
149.02486	2.1
150.03233	12.9
151.00380	100.0
151.04004	30.3
152.01172	9.8
169.01419	2.1
171.04568	0.8
173.02386	0.5
175.03987	3.0
176.01160	1.2
177.01874	1.2
178.99875	7.6
191.03461	0.9
198.03278	0.6
199.04062	4.0
213.05643	2.1
215.03532	0.7
217.05142	1.3
229.05031	1.0
241.05054	2.4
252.26782	0.6
257.04568	1.2
259.06082	0.7
263.05786	1.1
285.04059	61.4
286.04541	0.8
303.05139	2.4
313.09305	0.7
330.24170	0.6
339.07257	1.2
460.26697	0.6
465.10413	57.3
596.52710	0.6
629.46130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	6.3
59.44406	0.8
60.99316	22.5
69.34926	0.9
71.01408	1.9
73.02966	1.2
85.02955	1.0
88.01355	1.0
88.98806	100.0
89.02454	1.4
93.03419	1.0
94.67508	1.1
108.84305	1.0
125.02515	1.0
129.73253	1.0
135.00859	1.1
151.00359	1.3
155.10771	1.3
163.00496	1.0
167.03560	1.0
181.05070	1.8
187.04037	1.3
205.15932	1.2
227.03555	17.4
229.05095	6.9
241.05002	1.2
255.03014	32.6
257.04605	2.1
284.03305	44.9
285.04123	49.8
387.14337	1.9
460.84909	1.1
461.18137	2.1
523.65552	1.2
593.05762	1.9
593.15271	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02623	0.8
56.27824	1.0
59.01379	93.7
62.74601	0.9
63.69268	1.0
64.34848	1.1
66.24786	0.9
71.01366	16.5
72.99327	1.1
73.25382	0.9
73.67929	1.0
75.30283	0.9
85.02950	1.7
89.02438	22.9
90.25935	1.1
90.35432	1.0
96.95992	19.3
98.95613	6.2
99.03508	1.1
101.02435	11.9
113.02435	8.1
119.02791	1.3
119.03476	10.4
125.02421	1.3
141.43384	1.5
143.03569	1.4
143.07185	6.0
177.09181	1.2
179.05536	1.2
191.05585	1.3
200.21498	1.3
323.13489	100.0
351.09195	1.9
378.19656	1.1
422.12418	1.2
442.27905	1.2
470.06381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.2
57.03459	1.1
58.00604	1.3
59.01383	62.0
59.82824	0.6
63.01207	0.8
69.03468	1.8
71.01380	37.7
72.40328	0.7
72.99326	2.9
73.02948	7.1
81.03440	1.2
82.17599	0.7
83.01391	5.4
83.05062	0.8
85.02959	8.9
87.00884	6.9
89.02438	34.9
95.01419	3.1
97.02957	5.1
99.00910	3.0
101.02435	26.8
111.04516	1.4
113.02448	14.2
119.03492	9.9
121.02949	1.1
125.02449	9.6
129.07961	0.8
133.05005	1.0
137.09746	0.9
143.03539	6.0
159.13417	0.8
159.91785	0.7
161.04543	6.3
179.05624	4.8
221.06636	1.2
235.08238	12.4
248.71576	0.7
253.09264	1.7
277.21735	100.0
278.22092	1.4
283.19174	5.1
287.07816	1.3
305.08722	3.3
318.27368	0.8
356.31680	0.9
379.12387	1.0
397.13541	66.8
398.13702	0.9
415.14639	29.6
458.69000	0.8
463.48447	0.8
557.23511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26813	1.8
59.01124	3.7
59.01383	29.8
61.98856	5.1
64.33366	2.0
82.22267	1.9
221.10913	2.1
225.94923	2.5
351.38687	2.6
418.56342	2.3
431.82050	2.9
438.13397	3.8
481.15067	27.4
539.16150	3.4
555.18958	20.4
572.15765	9.0
641.22833	31.4
666.15924	2.8
677.20453	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	677.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99894	0.6
55.01901	1.7
57.03481	3.0
58.00621	1.3
59.01391	53.5
61.18875	0.6
65.03979	0.9
65.18387	0.8
66.27534	0.8
69.03483	1.1
71.01390	43.9
71.01767	1.7
72.99330	1.7
73.02950	26.3
81.03481	1.5
83.01412	4.8
83.05029	9.4
85.02957	11.6
85.03377	0.7
87.00875	13.3
89.02448	63.9
89.43399	0.7
93.03458	50.6
95.01411	1.1
97.02950	1.3
99.00903	7.4
99.03961	0.8
99.04511	6.7
101.02450	36.6
109.02972	0.9
111.04527	19.7
111.05204	1.0
113.02449	20.5
119.03493	9.7
125.02476	1.3
129.01921	1.8
131.03523	4.0
137.02443	20.1
143.03471	6.1
149.04558	1.5
155.03487	9.3
161.04564	8.3
173.04564	34.1
179.05646	29.8
221.06699	33.2
263.07739	0.9
281.08832	3.3
323.09915	3.1
335.10074	1.5
341.11023	5.1
373.03204	0.9
503.16266	100.0
504.16837	1.2
566.60663	0.9
595.29803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
71.63824	0.3
79.95750	1.7
92.66425	0.4
96.96020	100.0
126.26474	0.3
140.70459	0.3
146.62285	0.3
191.05681	0.5
259.90781	0.3
283.06091	0.4
293.04602	5.7
413.08908	0.4
577.15662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01387	1.9
60.99320	1.1
61.77140	0.2
64.63979	0.2
67.01892	3.8
68.90199	0.2
69.03106	0.2
69.03446	1.5
71.01368	1.6
81.03475	0.4
83.05037	1.2
85.02948	6.5
87.00875	6.4
87.01376	0.4
93.03453	27.6
99.00877	0.4
99.04552	0.3
109.02975	0.9
111.04523	4.9
119.05016	12.3
127.03995	1.8
129.01923	1.1
137.02460	0.8
145.03009	1.7
149.27071	0.2
155.03566	1.5
163.04008	9.7
163.75391	0.2
171.03036	0.3
173.04556	22.3
182.66090	0.2
191.05626	100.0
192.06001	1.2
215.89633	0.2
265.08545	0.2
327.08786	1.0
331.17847	0.2
337.09344	21.8
338.09616	0.4
396.37741	0.2
675.19757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72802	0.0
54.83355	0.0
57.03460	0.1
58.00607	0.0
59.01378	0.9
59.01646	0.0
60.99323	0.1
67.01887	0.5
68.20319	0.0
68.28284	0.0
69.03468	0.2
71.01379	0.6
71.01727	0.0
73.02966	0.2
74.58556	0.0
77.27071	0.0
78.47903	0.0
80.26722	0.0
81.03481	0.2
83.05042	0.2
85.02953	6.4
87.00874	1.6
93.03454	3.8
95.01405	0.0
96.95992	0.3
99.00905	0.1
99.04494	0.3
101.02486	0.1
102.73102	0.0
106.58469	0.0
109.02953	0.6
111.04526	1.3
111.05293	0.0
113.02454	0.1
117.03478	0.2
119.05029	1.2
125.02451	0.0
127.04015	2.1
129.01952	0.1
137.02475	0.2
143.03540	0.1
145.02969	1.0
153.01877	0.1
155.03528	0.2
163.04027	1.2
171.03049	0.6
173.04549	1.6
173.06001	0.1
191.05644	100.0
192.06000	0.8
327.09058	0.0
337.09354	17.4
338.09839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12186	0.7
57.03456	5.2
59.01394	1.0
59.83987	0.6
63.19811	0.6
67.01897	1.5
69.03465	0.9
69.25585	0.7
71.01398	0.9
79.77379	0.6
80.02721	0.8
81.03468	5.0
83.01398	4.2
83.05023	1.1
85.02937	8.3
87.00883	3.0
87.85783	0.8
92.10128	1.4
93.03425	14.7
95.05013	6.8
97.02936	10.2
105.68424	0.8
108.02168	1.3
109.02934	42.0
111.04523	3.5
119.04994	6.3
121.02907	5.5
122.03730	1.8
123.04503	30.5
125.02433	24.8
127.04008	1.1
129.01974	1.0
135.04524	3.0
137.02423	13.1
137.06062	10.1
138.03197	1.2
139.03954	7.2
145.02887	1.8
146.03725	1.2
149.02435	8.0
150.03200	1.4
151.03990	16.4
155.89621	0.8
159.04486	5.2
160.05287	1.8
161.02444	1.1
161.06059	8.3
162.03197	1.7
163.03995	6.3
164.01210	5.8
164.04735	1.0
165.01944	6.3
167.03531	1.8
173.04610	7.5
175.03946	3.4
175.07608	3.2
179.03458	7.6
185.06023	0.8
187.03984	7.4
188.04762	6.8
191.05612	81.0
201.05513	1.1
202.06404	3.2
203.07132	23.0
205.05032	11.5
212.04968	0.8
217.05116	0.8
221.08232	7.6
223.06129	0.8
227.07127	1.9
230.05803	0.8
245.08176	25.3
247.06120	0.9
283.09805	1.5
289.07178	100.0
327.08804	7.3
501.14050	4.0
675.19336	11.1
684.85907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00180	0.1
54.82637	0.2
59.57383	0.1
64.18953	0.1
65.68297	0.2
65.70036	0.2
69.91940	0.2
73.01183	0.2
78.78793	0.1
79.95744	2.0
83.05001	0.1
85.02951	0.9
87.00864	0.3
92.10123	0.2
93.03468	1.1
95.17231	0.1
96.96005	100.0
109.02971	0.3
111.04471	0.2
119.05035	0.7
122.48121	0.1
123.04532	0.3
123.86703	0.2
125.02437	1.5
127.03996	0.2
133.02968	0.3
137.02440	0.3
137.94809	0.2
151.03990	0.2
161.02438	0.9
163.03989	0.4
173.04514	0.8
191.05621	10.6
245.07964	0.2
254.58417	0.2
275.70502	0.1
289.07098	0.3
327.08786	1.0
407.07471	0.3
419.57077	0.2
425.08902	0.7
566.33032	0.2
577.13812	0.6
605.60553	0.2
617.33325	0.2
675.19324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47949	0.8
57.03461	1.1
59.01373	8.8
61.98850	1.9
69.03479	1.3
71.01381	4.0
73.02960	1.9
89.02460	3.8
97.06554	1.7
99.04524	0.9
99.92603	11.4
101.02473	1.6
104.99831	0.9
109.06610	1.0
113.02422	1.4
116.92869	97.6
117.92876	3.8
118.41193	1.0
121.02969	1.2
121.06635	1.6
122.03748	1.8
123.08133	2.1
135.04535	5.7
135.08232	0.9
136.05313	60.5
137.06044	4.3
149.06082	11.7
150.06911	5.3
153.05602	1.1
162.06880	1.2
163.07671	1.8
164.08482	6.8
165.09210	39.5
169.08739	1.0
169.99124	0.9
181.08804	1.3
195.13918	4.3
209.08224	1.5
209.34460	0.9
239.12944	4.5
260.50183	1.4
263.13095	1.2
267.12277	2.3
303.66626	1.0
314.11838	1.2
321.20966	2.0
329.13986	8.4
345.22858	6.5
398.97617	0.9
426.79092	1.1
435.43777	1.0
447.31519	2.1
450.29996	3.7
464.31738	1.4
465.32138	14.8
492.30893	1.2
493.31915	5.4
510.32001	4.1
511.32764	32.5
673.38171	100.0
686.22174	1.3
704.40430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.9
57.53340	0.4
59.01383	2.2
71.01384	0.7
83.04968	0.5
85.02959	2.6
87.00893	0.5
89.02458	0.5
98.74030	0.4
109.06597	0.5
111.04514	0.9
111.08183	0.7
113.02457	0.5
121.06593	2.3
122.03722	1.7
123.08160	2.3
135.04521	2.9
135.08206	0.5
136.05298	62.1
137.06047	2.2
137.09760	0.7
142.53189	0.4
147.08228	0.8
148.05302	0.9
149.06084	13.1
150.06871	7.7
151.07674	0.5
153.09270	0.8
155.10704	0.6
162.06865	2.9
163.07634	3.2
164.08444	4.8
165.09213	43.4
179.07104	0.7
183.02946	0.4
204.11578	0.5
261.18668	0.5
301.20212	0.4
335.24957	0.6
345.22906	6.9
350.21100	0.7
447.31122	1.8
450.30286	0.9
464.31442	2.8
465.32245	15.6
466.32645	0.5
492.31061	0.9
493.31815	4.2
510.32150	4.8
511.32843	30.8
512.33301	0.7
673.38171	100.0
674.38495	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99775	0.7
54.84518	0.8
55.01884	0.9
58.00605	1.3
59.01383	20.8
61.98832	1.1
69.03423	0.9
71.01382	67.9
73.02962	4.0
80.02676	1.4
81.03458	1.9
83.01418	1.6
83.05046	5.6
84.02188	1.0
85.02964	1.7
87.00880	2.1
89.02460	5.1
92.10242	1.2
95.01413	1.1
96.68932	0.9
97.02942	6.3
101.02431	8.4
105.39186	0.9
109.06593	18.1
113.02458	4.5
116.92864	6.0
119.03504	1.7
121.06639	1.1
127.11297	1.6
135.08167	3.8
142.02834	1.4
155.10791	1.3
161.04584	1.5
161.09677	1.9
163.11295	12.7
165.12856	1.1
167.10782	18.7
171.10271	8.5
175.11444	1.0
179.10846	1.1
181.12341	4.9
183.13933	14.1
185.11880	1.9
193.12335	1.7
199.09775	1.4
199.13449	13.2
201.11305	4.8
207.10301	49.4
209.11865	36.0
211.13432	100.0
212.13820	0.9
225.11356	20.8
227.12906	23.6
235.08281	1.9
249.14912	1.1
251.16563	1.5
253.09291	10.9
269.46613	1.0
383.22330	1.9
391.25034	1.7
401.23291	5.4
419.24106	1.3
461.20395	7.2
463.21973	3.1
613.38623	1.5
637.32623	2.2
655.33728	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	673.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
58.00605	0.1
59.01382	3.3
66.71787	0.1
71.01382	2.1
73.02966	0.3
76.58041	0.2
78.83120	0.1
80.02678	1.5
81.03460	1.5
83.01411	0.2
83.05032	5.2
84.02176	1.4
85.02979	0.3
87.00890	0.6
89.02455	1.8
95.05035	0.8
97.02961	0.2
97.06661	0.1
101.02447	1.9
103.72343	0.1
109.06587	0.2
113.02480	1.1
119.03483	0.6
125.06089	0.6
125.09708	0.3
135.08154	0.7
161.04602	0.4
163.11305	5.1
165.12856	3.3
171.10255	0.6
181.12335	1.0
191.10791	1.1
199.13416	0.3
207.10428	0.2
209.11862	100.0
210.12202	0.9
215.86014	0.1
223.68445	0.2
227.12929	9.9
235.08282	1.0
247.13506	0.4
253.09300	4.1
301.59863	0.2
419.24469	0.2
438.26859	0.2
445.20721	0.3
476.28003	0.2
637.31915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3812
Annotation	MK 7924
Peak:m/z	Relative Intensity
52.94832	0.7
52.96564	0.6
55.54358	0.7
57.03443	1.0
59.01401	1.1
62.25682	0.7
63.71858	0.6
71.01395	0.9
71.22269	0.7
73.02990	0.8
83.75922	0.7
84.97444	0.7
85.02977	0.7
92.10043	1.4
111.04537	1.3
121.06577	1.8
122.03691	1.4
123.08129	0.9
135.04521	3.3
135.08167	1.2
136.05298	70.7
137.06007	1.2
145.02962	0.8
147.08159	1.7
148.05315	1.0
149.06082	10.7
150.06885	7.5
153.09277	0.9
162.06908	1.6
163.07715	1.3
164.08403	4.2
164.50287	0.9
165.09215	57.1
176.89879	0.8
192.87630	0.9
223.40797	0.9
238.86143	1.0
244.81259	0.9
345.22934	11.7
432.29327	0.8
447.31113	1.2
450.29944	3.0
465.32312	18.3
479.15463	0.9
480.47092	0.8
493.31723	4.9
510.31799	4.4
511.32834	42.7
673.38147	100.0
674.38635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83239	0.5
59.01377	1.4
61.98831	0.6
62.52531	0.6
65.00335	0.6
68.02988	0.6
69.31357	0.6
71.01389	0.8
83.01381	0.7
85.02958	0.7
89.42736	0.6
96.61031	0.6
97.70095	0.7
101.02431	0.6
107.01395	2.6
108.02148	0.9
109.02971	1.1
111.06638	0.6
121.02953	1.3
125.02430	1.0
151.00365	11.6
163.00383	3.1
178.99863	5.7
182.12686	0.7
215.03610	0.8
227.03546	1.5
243.03026	8.8
245.04732	0.9
254.02278	1.3
255.03024	25.3
256.03397	1.0
271.02518	55.0
272.03006	1.4
300.02802	100.0
301.03574	27.3
374.73935	0.7
450.99872	0.7
488.40335	0.8
609.14740	67.6
610.15485	1.2
625.73438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.6
59.01384	2.2
64.34678	0.6
69.65421	0.6
71.01398	0.5
73.47561	0.5
87.00891	0.8
87.19566	0.4
89.02478	0.6
95.05029	0.6
97.06573	0.9
97.68368	0.5
99.04521	0.6
111.04538	1.2
111.08199	0.7
121.06596	2.2
123.08170	3.4
132.42130	0.5
135.04524	1.0
136.05305	53.9
137.06065	1.0
147.08147	2.4
149.06087	8.5
150.06863	5.0
151.07668	0.6
162.06853	1.2
163.07610	2.2
164.08470	5.8
165.09216	41.1
187.09708	0.5
229.10852	0.8
303.19702	0.7
305.09760	0.6
306.18439	2.1
321.20767	5.4
341.23218	0.6
343.21317	10.4
350.20944	5.4
356.08105	0.5
427.28488	3.0
445.29718	3.7
463.30637	10.3
491.30359	3.0
508.30441	3.7
509.31281	31.5
671.36639	100.0
672.36725	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	671.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41822	0.4
52.64934	0.4
57.03454	0.6
59.01387	2.2
61.67735	0.4
87.00885	1.2
87.49906	0.6
90.10120	0.6
91.42713	0.6
92.31613	0.5
97.06604	1.1
99.04525	0.9
111.04520	0.8
113.09727	0.8
114.39697	0.6
118.15546	0.6
121.06596	1.1
122.03702	0.6
123.04487	1.0
123.08157	2.9
127.63915	0.6
135.04538	1.2
136.05299	47.7
137.06026	1.1
137.09668	0.7
141.09221	0.6
147.08151	0.9
149.06058	8.1
150.06854	4.9
151.07765	0.6
157.08693	0.7
162.06842	1.4
163.07681	2.4
164.08467	4.8
165.09213	39.5
187.09702	0.6
196.12984	0.6
207.26906	0.7
229.10797	1.4
253.14345	0.6
261.18680	0.9
273.14819	0.6
304.52191	0.5
306.18378	1.3
307.19211	0.8
321.20758	4.6
343.21292	7.5
350.21011	5.4
427.28342	5.9
445.29730	2.7
463.30716	9.3
489.28653	0.6
491.30328	4.3
508.30377	4.5
509.31219	38.4
671.36627	100.0
672.36920	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	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.9
59.01379	26.6
60.44842	1.4
65.94402	1.8
71.01396	8.2
72.79382	1.6
80.02676	3.8
81.03454	3.6
83.05032	4.4
85.02945	3.0
89.02448	10.2
93.03424	2.1
95.01383	2.0
95.05019	2.7
96.96011	3.1
97.02953	9.2
101.02431	8.0
103.50621	1.7
109.06583	33.0
110.03744	2.9
113.02447	4.2
116.92817	4.6
122.03702	15.8
135.04517	9.2
135.08133	3.9
137.02475	1.7
149.04349	1.8
151.07603	12.5
161.04584	2.0
161.09703	3.9
163.11284	20.5
163.22505	2.0
165.12856	3.2
181.12411	7.7
207.10257	76.9
208.10582	2.1
209.11827	100.0
221.11780	2.3
225.11301	30.1
227.12866	12.9
253.09248	9.4
264.89865	1.9
399.21591	3.4
417.22723	8.0
449.32755	49.1
461.20306	11.4
565.53876	2.2
570.66187	1.9
591.09015	2.0
611.38049	8.4
635.30804	9.4
641.52795	1.8
653.31635	13.5
671.32074	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30431	0.2
57.03454	0.5
59.01382	1.9
61.92331	0.2
63.10852	0.2
66.90967	0.2
71.05021	0.3
73.02949	0.3
80.71461	0.2
83.05029	1.0
85.02942	0.3
85.06603	0.3
90.43349	0.2
92.66016	0.3
96.96017	0.4
108.02189	3.1
111.04537	0.3
116.38506	0.2
119.05001	0.3
121.02953	0.3
125.09691	0.5
137.02420	0.3
145.02982	1.1
151.05124	0.2
151.11302	0.3
153.12875	3.7
163.11287	0.4
165.02048	0.3
175.24680	0.3
203.14430	1.1
205.16016	5.3
221.15573	4.1
223.17026	0.4
227.40752	0.3
231.13988	0.4
249.14983	7.4
258.61099	0.3
267.16052	100.0
268.16238	1.1
346.68719	0.3
504.09552	0.3
507.20850	0.6
544.60144	0.3
575.32983	0.3
580.82324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52296	0.8
52.47509	0.9
55.01880	1.1
57.03466	1.0
59.01384	17.7
64.23888	0.9
71.01383	6.3
75.00864	1.0
80.02679	2.0
81.03461	5.0
81.13227	1.0
83.01378	1.5
83.05042	10.0
84.02170	2.3
85.02974	2.2
87.00888	2.2
89.02459	3.9
92.10764	1.4
93.03456	1.6
97.02958	7.6
99.00893	1.5
101.02443	6.8
109.06593	25.3
110.03702	1.1
111.04497	1.4
112.81874	1.0
116.92869	1.5
121.02984	1.5
122.03722	4.2
123.04528	2.1
125.02458	1.2
125.09669	1.3
135.04558	1.4
135.08157	5.7
136.05290	1.7
142.02779	1.9
151.07608	1.0
157.22708	1.0
161.09734	2.3
163.11285	24.4
165.12802	4.5
171.10295	1.7
171.55695	1.1
181.12346	7.0
185.11842	1.9
190.60054	1.2
191.10742	1.3
207.10291	69.4
209.11850	100.0
223.56223	1.2
225.11348	31.9
227.12994	9.1
235.08331	1.7
235.13522	1.2
247.13309	1.6
252.21933	1.2
253.09256	7.2
317.21390	1.7
359.03098	1.0
385.71060	1.2
399.21667	5.9
417.23227	2.0
443.19351	1.3
449.32471	8.6
461.20526	7.8
468.04224	1.1
528.85504	1.2
635.30817	7.9
653.31934	10.3
671.32623	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67842	0.3
52.80289	0.2
54.55207	0.3
59.01381	0.6
71.01388	2.5
73.02930	0.3
85.02956	1.1
93.03492	0.4
101.02432	0.6
107.05070	0.3
117.03461	27.5
119.05019	18.5
121.02918	1.6
122.03715	3.3
123.04491	0.4
124.01622	0.3
134.03767	0.5
135.04526	16.5
136.05298	0.5
137.02463	0.6
145.02960	100.0
146.03302	0.8
147.04500	1.5
149.06071	3.9
151.04018	1.8
152.66583	0.3
161.06076	7.3
163.04019	16.3
163.05377	0.5
164.04846	0.5
166.06303	0.7
167.07159	2.4
172.61462	0.3
175.07684	0.4
179.03484	0.4
179.07170	4.8
180.07933	37.4
182.05887	2.8
187.04030	1.4
190.06349	1.2
191.07094	1.2
192.07916	6.4
193.05064	0.4
193.08707	2.7
194.05858	6.7
194.09412	0.5
195.06618	4.3
195.10287	0.5
205.05191	0.3
205.08519	0.4
209.08202	1.8
212.06917	5.1
223.09685	0.3
226.08572	2.5
247.06119	0.7
283.09811	0.5
285.11539	0.4
295.09610	0.5
297.11459	2.3
299.12683	0.4
307.08267	61.9
308.08627	1.4
312.10126	0.4
313.10809	6.6
316.13272	4.1
328.13184	8.6
331.15518	13.1
342.69391	0.3
343.15564	7.1
361.16623	31.6
362.16910	0.4
541.18396	0.4
547.43536	0.3
634.75781	0.4
669.25494	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	669.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20041	0.3
57.03477	0.3
59.01389	2.1
71.01395	1.9
83.01423	0.3
85.02946	0.4
89.02463	0.4
101.02412	0.3
106.66988	0.3
109.02972	0.4
110.82471	0.3
111.94430	0.3
113.81756	0.3
114.80717	0.3
117.03461	37.9
118.03819	0.3
119.05019	19.7
119.27639	0.3
121.02944	1.2
122.03736	0.8
123.04514	0.3
136.05338	0.4
137.05984	0.4
145.02959	100.0
146.03316	0.7
147.04504	1.6
161.06036	0.5
163.04007	15.5
165.05626	2.9
169.78091	0.3
177.05502	0.6
179.07208	0.6
251.37482	0.3
270.31467	0.3
299.49780	0.4
325.10687	0.4
343.15564	0.4
346.14096	1.3
361.16592	4.4
371.15164	0.6
382.65039	0.3
383.14993	0.8
400.48022	0.3
401.15994	1.9
491.19257	2.1
499.78192	0.4
523.22784	0.6
669.25623	30.9
670.25787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09452	0.4
57.03452	0.9
58.11303	0.4
59.01367	3.8
60.99323	0.7
67.01880	7.5
69.03444	3.0
71.01368	4.8
72.91944	0.4
81.03450	0.9
83.05011	1.9
85.02945	6.7
87.00862	7.1
93.03438	45.4
99.08952	0.4
109.02924	1.0
111.04510	10.1
113.02464	0.6
117.97240	0.8
119.05013	22.0
127.04021	1.8
129.01935	0.7
135.04500	2.4
137.02440	5.1
145.02954	1.6
155.03496	4.9
163.03990	20.7
173.04521	75.8
179.03479	3.8
191.05597	100.0
192.06062	0.6
231.71521	0.4
298.37711	0.5
337.09305	44.6
341.08688	2.3
673.48981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74735	0.2
59.01400	0.5
61.62157	0.3
62.63163	0.2
71.01394	2.4
73.02961	0.4
85.02980	1.1
101.02466	0.5
113.02465	0.5
117.03472	25.0
119.05026	18.6
119.05898	0.5
121.02962	1.8
122.03740	3.4
123.04497	0.3
133.06551	0.4
134.03796	0.5
135.04530	15.3
136.05243	0.4
137.02422	0.6
145.02965	100.0
146.03290	0.6
147.04521	1.3
148.05394	0.4
149.06102	4.2
150.03210	0.4
151.04008	1.3
159.04495	0.5
161.06090	8.0
162.06721	0.4
163.04008	17.9
163.05385	0.6
164.04803	1.1
165.05606	0.5
166.02748	0.6
166.06371	1.3
167.07111	2.1
175.03947	0.3
175.07741	0.5
179.03517	0.5
179.07129	4.4
180.07932	37.3
181.08444	0.4
182.05827	2.6
187.04042	0.7
190.06346	1.6
191.07133	1.2
192.07945	7.8
193.05020	0.3
193.08710	3.4
194.05864	7.4
194.09492	1.4
195.06651	5.1
195.10338	1.3
205.05188	0.4
205.08580	0.5
207.10332	1.3
209.08208	1.9
210.08937	0.4
212.06914	5.6
223.09822	0.4
226.08537	2.4
242.08044	1.2
247.06096	0.3
254.05811	0.6
295.09778	1.2
296.10263	0.3
297.11227	2.8
298.12332	0.4
307.08276	65.1
308.08627	1.3
313.10803	6.1
315.12289	0.4
316.13226	5.3
319.27789	0.3
327.12405	0.4
328.10416	0.3
328.13226	9.0
331.15604	14.9
343.15527	8.6
361.16611	31.6
362.16974	0.4
528.17206	0.3
538.19012	0.3
669.25580	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	667.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05721	0.3
55.75092	0.4
57.03453	2.4
57.49184	0.5
59.01376	4.8
60.24251	0.3
61.84756	0.4
63.02402	0.9
65.00323	16.1
67.23518	0.4
68.07315	0.4
71.01373	0.5
72.25357	0.4
83.01384	10.2
83.21893	0.4
87.04556	0.4
87.76302	0.4
89.02459	0.5
107.01392	28.2
108.68722	0.4
109.06620	1.1
117.30875	0.4
123.00880	0.8
123.04515	7.4
124.01659	2.4
125.02438	18.8
127.07650	13.2
133.02942	4.5
135.04523	3.2
139.03983	0.6
140.71457	0.6
145.28041	0.5
146.64473	0.5
149.02402	1.8
150.03236	19.6
151.00377	100.0
151.04001	26.5
152.01166	16.7
153.01947	2.0
169.01418	3.4
171.06631	28.3
174.03241	0.8
175.04124	3.2
176.01164	1.7
177.01958	3.7
178.99864	14.4
187.03896	0.7
187.13383	0.5
189.05634	1.1
195.04449	0.5
199.03993	4.6
213.05597	0.5
214.73737	0.5
215.03596	0.7
217.05116	2.7
229.05019	0.8
231.06566	1.1
231.08762	21.3
241.05118	3.9
257.04602	2.8
258.37610	0.5
259.06085	0.8
267.03015	0.7
275.05661	0.8
283.08258	2.4
285.04077	50.8
286.04419	0.5
303.05115	13.6
309.06216	2.2
314.04266	0.6
417.08841	0.6
435.09402	59.0
436.09592	1.0
599.39435	0.5
673.43555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87088	0.6
57.03452	1.1
59.01398	5.2
66.32744	0.6
71.01396	3.0
73.02959	1.1
73.39027	0.7
76.09554	0.6
83.01387	1.1
85.02936	1.8
88.49899	0.7
89.41860	0.7
92.10129	2.4
94.59315	0.7
96.96021	1.3
101.02460	1.0
113.02480	0.7
117.03467	40.1
119.05032	20.1
121.02962	3.4
122.03780	1.3
135.04517	0.8
136.05289	0.9
137.02464	0.8
145.02963	100.0
147.04530	1.1
149.05998	1.1
161.06110	1.0
163.04018	13.9
165.05530	1.6
169.12625	0.7
218.27351	0.8
311.07959	0.9
330.14694	1.5
345.17020	1.3
361.16544	5.6
408.67212	0.8
491.19290	3.0
517.83344	0.7
669.25659	31.6
669.35669	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	665.392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70297	0.2
59.01389	0.5
61.98855	0.5
64.98914	0.2
74.36781	0.3
83.05038	0.4
85.06604	0.6
86.93597	0.3
89.79269	0.3
96.96010	1.2
97.06602	1.1
98.63799	0.3
104.35561	0.3
107.00198	0.3
107.03945	0.3
107.05032	0.3
109.06590	0.3
113.09755	1.1
123.04539	0.4
123.08134	1.3
125.09710	8.4
135.08218	0.3
137.09683	0.5
139.11308	5.7
149.09721	0.4
149.13374	5.3
151.11293	47.3
152.11641	0.5
165.12848	14.6
167.14421	67.4
168.14906	0.4
181.12279	0.3
193.12386	0.5
195.13974	0.4
211.13426	100.0
212.13777	1.2
239.12987	0.4
253.14523	0.3
255.79964	0.3
280.34268	0.3
291.56604	0.3
505.90848	0.3
508.07993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55598	0.5
53.26029	0.5
53.71557	0.4
59.01388	4.3
60.99311	18.4
63.38187	0.4
67.07273	0.5
78.37557	0.5
88.98801	100.0
89.02470	0.5
99.59450	0.5
117.03456	5.7
131.01402	0.7
173.02425	2.6
175.00330	4.7
177.67375	0.7
266.30722	0.6
283.06168	3.8
293.04596	70.1
294.05148	0.6
311.05692	6.6
413.08850	12.5
459.50906	0.6
501.24445	0.6
577.15680	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14211	0.1
57.03461	0.1
58.82693	0.1
59.01372	1.1
67.01894	0.2
71.01383	0.6
72.79752	0.1
73.02966	0.1
81.03473	0.4
83.05020	0.1
85.02946	6.0
87.00876	1.7
92.10117	0.2
93.03454	3.4
96.02487	0.1
99.04546	0.2
104.50510	0.1
109.02930	0.4
111.04522	1.3
119.05013	1.2
123.04514	1.2
125.02396	0.2
127.04006	1.7
137.02425	0.2
145.02963	0.9
163.04002	1.3
167.03477	2.8
171.03021	0.7
173.04555	1.7
175.00443	0.1
178.28888	0.1
191.05629	100.0
192.05998	0.6
192.38489	0.1
197.47388	0.1
201.36243	0.1
209.04626	0.2
212.59064	0.1
240.02638	0.1
252.75208	0.1
256.85721	0.1
329.08871	0.2
337.09344	17.1
338.09769	0.4
458.69763	0.1
664.04858	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67626	0.3
53.45326	0.3
54.10817	0.3
54.61411	0.3
57.06123	0.4
57.23256	0.3
59.01393	0.9
60.99301	0.5
71.09738	0.3
72.99296	4.9
85.02971	2.5
88.98792	0.6
93.03475	0.8
96.95997	0.5
109.02982	0.8
111.04494	0.9
113.06119	0.4
119.05000	0.5
121.02935	1.8
123.08098	0.6
125.02448	0.5
126.50465	0.4
126.59384	0.4
127.03933	0.4
135.04515	2.0
143.08675	2.9
145.10237	13.7
157.10199	2.5
159.08170	2.2
161.02618	0.7
163.11287	1.8
167.07135	0.6
170.36731	0.5
173.04587	2.4
173.09634	0.9
175.11288	11.6
179.03558	1.1
191.05624	34.7
193.06125	0.7
193.12329	2.0
219.10316	1.0
237.11359	2.9
265.10892	4.7
309.09845	100.0
310.10181	0.9
310.99637	0.4
353.08868	5.5
391.91522	0.4
549.65546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12160	0.4
54.83035	0.5
57.03462	0.8
58.00600	0.6
59.01386	13.1
59.52468	0.4
61.94858	0.4
65.00325	0.6
71.01385	5.3
72.99321	3.2
73.02926	0.6
78.58794	0.4
81.03477	0.5
83.01382	2.1
83.05028	0.8
85.02967	2.1
88.98811	2.3
89.02431	6.6
93.03449	1.9
96.96042	1.0
99.00977	0.5
101.02438	3.3
107.01382	1.0
107.75830	0.5
111.04520	3.0
113.06089	0.7
123.04527	7.5
125.02448	3.1
131.03508	6.5
136.01662	9.1
139.04018	13.3
143.08643	1.1
145.02985	2.2
145.10246	9.4
147.08232	0.8
149.02478	0.6
149.04581	1.9
151.00377	4.0
151.04005	13.1
157.10146	1.9
159.08179	2.2
161.09787	0.6
163.11281	0.6
163.83165	0.5
166.02696	0.6
167.03502	23.3
167.07207	0.7
173.04582	1.0
173.09705	1.0
175.11285	11.2
177.02023	0.6
187.03979	0.6
191.05632	6.6
193.08565	0.5
193.12286	1.0
211.07683	0.9
213.05638	0.8
215.03490	1.9
219.10323	2.6
237.11394	2.4
241.05077	2.1
243.02846	0.6
256.07565	0.6
263.09219	6.8
265.10849	3.0
271.02472	1.8
291.08765	5.8
299.02151	4.4
300.02426	0.7
301.03592	7.4
309.09857	100.0
329.08786	1.1
337.15387	0.9
351.10919	3.5
625.13898	3.0
627.15302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50473	0.7
59.01402	5.2
60.11062	0.7
66.70660	0.7
67.99637	0.7
71.01391	1.6
72.99313	23.2
72.99686	1.2
73.02962	2.9
75.00904	0.9
80.89728	0.8
81.07104	4.3
85.06602	1.3
89.02458	5.5
92.65050	0.8
96.96021	1.5
97.06602	0.8
99.00871	1.3
99.08157	8.6
101.02435	1.3
101.06075	0.8
102.02037	0.8
113.06119	4.6
113.43479	0.7
115.07651	72.4
123.00884	0.8
125.06078	1.0
129.05583	46.9
131.94144	0.7
137.06129	0.7
143.07147	28.6
159.06642	4.6
186.44987	0.9
191.05583	1.4
197.04555	1.3
205.07199	100.0
208.53076	0.8
257.11505	0.9
275.36139	1.0
455.17892	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	663.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61518	0.1
52.56131	0.1
55.39769	0.1
57.03451	0.7
59.01382	1.4
60.99310	1.2
63.35701	0.1
64.69555	0.2
65.03983	0.3
66.66517	0.2
67.01894	3.3
69.03462	1.0
71.01382	1.7
81.03454	1.0
83.05051	0.8
85.02953	4.6
87.00877	7.2
93.03457	27.1
99.00903	0.3
99.04530	0.6
109.02967	0.4
111.04532	4.9
113.02516	0.3
115.04057	0.2
119.05032	10.7
124.55602	0.2
127.04012	1.6
129.01935	1.2
137.02429	0.7
145.02939	1.5
155.03481	0.8
163.04021	8.6
171.03053	0.2
173.04564	13.9
173.09660	0.2
191.05634	100.0
192.06003	0.4
246.03227	0.2
337.09351	28.8
343.91986	0.2
612.96545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
57.78206	0.8
59.01385	6.5
64.34837	0.8
64.66382	0.7
71.01379	1.9
73.02970	1.1
77.07483	0.7
78.80983	0.8
82.80717	0.8
84.80399	0.8
89.02437	1.1
95.05040	1.1
96.95992	0.9
97.02977	0.9
97.06575	0.8
101.02431	1.0
101.04103	0.9
103.97702	0.8
107.05030	1.0
108.02226	1.4
109.02945	1.4
109.06589	1.9
111.08158	1.0
111.36102	0.9
121.06604	1.0
122.03728	67.5
123.04504	3.7
123.08154	3.6
133.06599	3.2
135.04541	11.2
136.05283	14.9
148.05302	1.6
149.06082	1.6
150.06860	9.7
151.07654	87.7
152.08008	1.2
153.09250	1.8
165.05371	1.2
165.09225	4.5
169.08864	0.8
193.08807	1.0
261.18524	1.5
302.30261	1.0
336.19281	1.2
345.22772	10.0
433.29794	2.9
451.30881	18.3
479.30225	5.4
496.30554	2.1
497.31097	47.8
659.36639	100.0
660.37177	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	657.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27559	0.6
56.16055	0.7
57.03471	1.1
59.01388	4.6
59.01652	0.6
71.01404	1.6
81.65588	0.6
83.05037	0.7
85.02960	1.1
89.02446	1.0
95.80537	0.8
96.96004	1.2
102.44754	0.7
111.04548	1.7
113.06100	0.8
121.06602	1.7
122.03728	0.8
123.08118	0.7
129.50786	0.7
135.04523	4.5
136.05309	72.1
137.05916	1.1
139.07706	1.1
147.08148	1.6
148.05315	1.3
149.06100	14.5
150.06854	10.7
151.03973	0.8
151.07654	1.1
155.10793	3.1
155.99117	0.6
162.06877	4.0
163.07671	3.2
164.08456	4.8
165.09219	61.3
179.10806	1.5
280.70404	0.7
299.22351	13.4
305.59827	0.7
311.22351	4.4
329.23380	12.2
376.63049	0.7
421.30527	0.7
432.32578	0.9
433.33151	4.2
447.31287	5.0
459.31204	1.6
465.32281	12.0
477.32343	15.3
494.32843	3.4
495.33481	19.7
500.58701	0.9
657.38721	100.0
658.39911	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	659.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42016	0.5
59.01386	100.0
65.93179	0.5
69.60798	0.5
71.01384	0.8
91.06871	0.6
93.35163	0.5
95.29221	0.5
96.96042	0.6
102.64742	0.6
136.01604	0.6
137.02423	2.1
151.04018	0.8
165.01942	22.8
179.03505	15.7
180.02852	1.0
180.04291	18.5
181.05106	3.8
193.08826	0.6
194.05844	5.2
195.06642	26.5
196.07372	3.4
197.08176	0.8
198.87645	0.6
210.05438	3.8
211.09764	3.1
211.60124	0.6
225.07722	20.5
293.04745	4.7
293.07669	0.6
349.50388	0.6
359.11371	7.8
374.13785	9.1
375.65970	0.7
389.16125	33.4
437.18280	26.1
577.15643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79591	1.9
59.01391	33.2
63.21488	2.3
71.01403	9.7
73.02978	4.4
81.03522	2.4
83.05038	2.6
84.02230	2.6
85.02971	4.2
89.02454	5.2
91.60438	2.6
97.06628	3.3
101.02430	6.0
113.02440	3.4
121.74912	2.2
151.11295	19.3
169.12357	100.0
171.11830	2.7
209.11852	44.4
213.11377	12.4
449.20349	5.8
599.34161	29.0
659.32855	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24528	0.6
57.03454	1.0
59.01387	1.5
79.32856	0.7
85.02941	1.0
89.58439	0.7
97.84305	0.6
100.14143	0.7
103.73199	0.8
105.21806	0.8
111.04489	0.9
112.30609	0.8
112.63236	0.8
119.65772	0.8
121.06587	2.8
122.03735	1.7
132.22023	0.7
135.04515	4.5
136.05296	80.0
137.06013	3.0
147.08154	1.3
149.06070	15.1
150.06870	7.5
155.10777	0.8
162.06831	4.8
163.07584	1.6
164.08447	7.2
165.09201	36.9
255.12488	0.9
283.22629	1.1
329.23364	13.4
350.15344	0.7
416.29599	1.4
434.30505	6.9
448.31830	1.4
449.23383	0.9
449.32825	29.4
476.31381	1.4
477.32065	6.1
494.32462	5.2
495.33289	47.4
657.38672	100.0
658.39056	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83033	0.7
57.03465	3.0
59.01397	3.7
69.03460	0.7
71.01398	2.6
75.41294	0.5
83.05055	0.8
85.02969	1.2
87.00895	2.3
89.02436	0.8
95.05047	1.0
96.96007	1.1
97.02988	1.1
97.06596	3.1
99.04507	1.1
101.02456	0.6
107.05037	2.4
108.02204	0.8
109.06593	0.8
111.04597	0.7
113.02520	0.8
121.03021	0.9
121.06605	1.3
122.03743	39.7
123.04530	1.4
123.08179	3.8
133.06589	0.7
135.04526	8.5
135.08142	0.6
136.05293	13.8
136.06232	1.0
137.06065	1.0
137.09698	1.1
141.09245	0.7
148.05347	0.9
149.06093	3.9
149.09639	0.7
150.06898	4.8
151.07660	54.5
153.09259	0.5
155.10771	0.6
162.48148	0.5
163.07745	0.7
164.08391	0.8
165.05583	1.3
165.09213	9.3
169.38765	0.6
187.09845	1.2
201.11316	2.3
214.60638	0.6
215.09177	0.9
219.13794	0.7
229.10805	1.0
261.18430	0.7
264.17563	0.6
279.19482	0.7
281.13940	2.2
283.15628	2.4
289.18176	0.9
292.16983	0.7
307.19186	5.4
314.03674	0.5
318.18387	0.8
323.18750	1.0
329.19897	3.5
336.19482	5.0
343.21249	7.2
395.26001	0.6
413.27023	3.8
431.27979	3.3
449.29031	10.4
477.28333	5.0
494.29074	2.3
495.29691	41.6
507.30319	0.7
586.53284	0.5
657.35071	100.0
658.35632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40308	0.9
56.31469	1.0
56.96863	0.8
75.13598	0.9
99.92598	12.1
116.92863	100.0
140.06183	1.0
195.53419	1.1
430.52975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75896	0.6
58.43564	0.5
59.01383	6.7
61.14732	0.5
71.01387	3.8
71.77919	0.6
73.02957	1.0
80.02679	0.7
81.03472	1.2
83.01404	0.5
83.05021	6.4
85.02941	0.7
89.02472	2.3
99.04523	0.6
101.02450	2.9
104.38796	0.6
113.02453	1.0
116.92863	3.8
137.02481	0.6
163.11278	4.9
165.12843	3.4
167.10748	3.0
181.12152	0.6
182.34312	0.6
183.13954	7.5
193.12477	0.7
209.11862	100.0
211.13429	70.8
220.27180	0.8
227.12885	11.3
235.08354	1.4
253.09276	6.4
297.55801	0.6
361.22653	0.6
447.22449	2.3
512.31927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
59.01390	3.8
60.34084	0.6
71.01398	1.3
79.87464	0.6
83.05028	0.9
85.02982	1.2
91.55290	0.6
95.05049	0.8
97.06606	2.9
99.04521	0.8
101.02507	0.7
107.05033	0.9
108.02161	0.8
109.06613	1.2
111.08141	1.2
113.02422	0.8
113.09750	0.8
121.02943	0.8
122.03740	41.5
123.04536	2.7
123.08186	3.4
125.02400	0.7
133.06598	1.0
135.04532	6.5
136.05309	14.2
137.06151	0.8
137.09740	1.2
141.09268	0.8
146.37563	0.6
148.05305	1.3
149.06107	3.2
150.06900	5.6
151.07664	52.9
155.10873	0.9
164.08455	0.8
165.09201	9.4
193.08635	0.8
229.10773	0.8
241.14684	0.8
243.12294	0.8
289.18103	1.0
293.17529	1.0
307.19232	5.6
329.19534	1.2
336.19568	4.6
343.21207	9.0
413.27023	3.3
431.27808	1.5
449.29187	12.2
477.28726	3.5
494.29135	1.2
495.29541	40.0
597.34790	0.8
657.35107	100.0
658.35577	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	656.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04287	0.4
57.03470	0.4
59.01398	0.7
60.81031	0.5
61.98837	24.9
63.02420	0.7
93.03477	2.1
107.01409	2.4
132.02168	0.9
134.68600	0.6
135.00919	1.1
136.01700	0.5
143.05060	0.9
151.00374	3.2
159.04532	1.1
163.00385	3.5
169.06631	0.8
171.04535	0.9
185.06100	2.5
187.03989	3.4
189.05530	1.0
195.04475	0.9
197.06140	1.2
199.04071	0.7
201.05638	0.7
211.04039	3.1
213.05627	3.3
227.03551	40.1
229.05107	15.6
239.03635	2.1
240.04269	0.8
241.05124	2.0
255.03035	73.1
256.03717	5.2
257.04590	10.0
267.03098	0.7
269.04477	0.6
284.03320	85.6
285.04099	100.0
286.04440	2.0
327.05258	0.8
590.26154	0.6
593.15271	84.0
594.15649	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	656.148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10514	0.5
59.01408	1.0
59.69253	0.6
61.98835	26.9
61.99159	1.0
63.02401	0.6
69.85538	0.6
79.57973	0.5
91.01923	0.6
93.03468	1.2
95.46089	0.6
107.01419	1.5
109.02985	0.7
116.39033	0.7
132.02167	0.7
135.00803	1.1
143.05020	1.4
151.00392	3.3
153.01952	1.0
163.00386	3.9
164.01173	0.7
167.04956	0.7
169.06541	0.9
173.06158	0.8
185.06113	2.8
187.03993	3.6
189.05524	1.0
197.06209	0.9
199.03998	1.3
211.04054	3.1
212.04695	0.6
213.05579	2.7
215.03571	0.8
227.03528	41.2
228.04056	0.6
229.05077	19.5
239.03535	1.0
241.05132	2.5
255.03011	77.2
256.03723	6.5
257.04562	9.5
261.69867	0.7
281.41422	0.7
284.03281	93.6
285.04065	100.0
286.04456	0.8
327.05142	1.0
330.24866	0.7
593.15228	93.2
594.15582	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	655.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88508	0.5
55.01888	2.7
57.03459	1.3
59.01382	22.9
68.03811	0.6
69.03459	0.8
71.01382	28.5
72.99308	2.9
73.02944	25.8
74.79624	0.6
75.00861	1.1
77.02480	0.6
83.01393	2.7
85.02959	10.5
86.00137	0.9
86.07040	0.7
87.00859	5.7
88.98814	1.0
89.02439	20.5
91.17242	0.6
95.01379	1.0
96.96003	7.1
97.02954	2.6
98.16032	0.8
99.00878	96.4
101.02444	20.1
108.95856	0.8
109.02936	0.6
113.02441	11.5
115.04102	0.6
119.03497	0.8
125.02442	3.2
131.02534	0.7
131.03500	17.4
132.02641	0.7
149.04535	1.1
161.04550	18.4
181.12198	0.8
183.13956	1.0
184.48827	0.6
190.76843	0.7
191.05634	32.3
221.04587	1.1
221.06670	19.7
337.54956	0.8
353.10895	11.6
467.70587	0.7
493.22372	2.4
655.28223	100.0
656.28833	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	655.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82930	0.2
59.01386	100.0
61.98834	1.1
67.26392	0.2
74.99394	0.2
75.00139	0.2
96.99274	0.5
101.00996	0.3
116.92867	5.5
138.78790	0.3
141.01714	39.9
175.20642	0.3
176.56404	0.3
209.11726	0.3
242.63042	0.3
275.06259	1.3
277.21854	2.1
282.04575	0.3
359.22006	1.2
391.19711	0.5
448.38672	0.3
535.27844	1.3
545.30164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10346	0.6
59.01393	100.0
61.98840	3.2
78.95908	0.7
80.36845	0.6
92.69165	0.6
99.92540	0.9
116.92850	14.7
121.03008	0.7
141.01706	32.5
141.02818	1.0
145.74648	0.8
171.14891	0.7
192.72423	0.7
231.13889	1.5
233.15317	0.8
277.21640	1.1
336.38702	0.8
359.21481	0.9
371.31323	0.8
399.75604	0.7
442.49429	0.9
467.76288	0.7
472.72540	0.8
610.85388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3712
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03458	2.2
59.01390	1.3
61.25510	0.4
66.53748	0.4
70.91663	0.5
71.01385	0.7
71.05020	0.7
73.02923	0.7
85.02960	0.5
99.04556	0.5
101.02447	0.8
107.02906	0.5
111.04530	2.1
113.02481	0.8
121.06584	3.2
122.03767	1.9
123.08167	0.9
125.09713	2.1
128.11583	0.5
135.04504	4.3
135.08041	0.5
136.05301	70.5
137.06052	2.2
147.08159	0.8
148.05362	1.0
149.06100	12.9
150.06902	8.3
162.06874	4.4
163.07660	2.1
164.08435	6.9
165.09210	54.9
171.10269	6.1
200.26402	0.5
274.19543	0.5
292.22263	0.5
306.18518	0.6
321.20636	0.6
327.21802	24.4
332.20227	0.7
345.85208	0.6
350.21088	1.0
389.64941	0.6
414.27789	0.9
429.30045	1.1
432.29007	4.9
446.30753	0.8
447.31265	13.7
463.32489	0.6
468.99609	0.5
475.30774	7.7
492.30862	3.6
493.24496	1.1
493.31824	42.2
655.37146	100.0
656.37512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82755	1.0
59.01388	3.3
61.98846	3.0
62.39341	0.7
70.29214	0.7
79.61819	0.7
79.71433	0.7
82.47559	0.8
83.79834	0.6
95.79453	0.8
109.02950	1.0
129.45737	0.8
131.01405	0.9
133.02943	23.1
135.04457	1.0
147.04590	1.4
149.02423	1.1
163.00346	1.2
163.04028	1.4
173.02422	3.8
175.00369	6.1
175.04005	3.9
177.99263	0.8
178.65013	0.7
191.03479	0.8
193.01497	3.1
199.03946	1.2
201.02010	1.3
213.05597	1.2
225.05525	0.9
237.05637	1.4
253.05145	1.6
255.02969	1.1
265.05115	1.7
267.02963	3.1
269.04547	1.1
284.03214	10.2
285.04065	8.7
297.04053	23.6
298.04807	16.6
299.05591	21.1
300.05563	1.2
309.04077	80.6
310.04401	3.6
311.05524	4.8
312.04910	1.1
325.03537	0.8
327.05148	100.0
328.05328	4.7
329.05417	0.9
339.05087	4.0
357.06195	34.6
358.06607	1.1
369.06207	1.5
429.08350	10.4
473.10910	9.5
593.15259	75.8
594.15417	3.3
596.16077	4.3
636.55042	1.1
682.57288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
59.01389	4.6
71.01397	1.3
74.29948	0.9
74.30407	0.9
80.56554	0.8
81.03472	4.0
83.01397	5.6
85.41985	0.9
89.02447	1.4
93.03472	1.5
95.05027	4.7
97.02950	8.3
108.02190	1.1
109.02963	34.2
121.02968	5.0
121.33035	0.9
122.03714	1.3
123.04534	26.0
125.01613	1.7
125.02455	24.1
135.04515	5.6
137.02448	14.8
138.03201	1.7
139.04022	5.9
141.09261	7.1
149.02454	6.7
150.03209	1.1
150.24086	1.0
151.04015	13.8
159.04501	4.1
160.05270	1.4
161.06062	9.9
162.03191	1.3
163.03964	1.3
164.01152	5.4
165.01936	5.7
167.03485	1.6
173.06094	1.1
173.09737	1.7
175.03983	2.1
175.07619	1.9
177.05519	1.3
179.03497	10.2
185.08229	1.9
187.03975	7.5
188.04834	7.2
195.97600	1.2
202.06348	3.9
203.07140	21.3
203.09235	7.2
205.05077	11.6
221.08394	6.6
227.07091	2.3
230.05875	1.1
245.08182	20.8
247.06207	1.6
289.07220	100.0
290.07431	1.4
325.09265	2.0
365.14407	6.4
485.39767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69999	0.5
54.22080	0.5
57.03466	1.2
59.01394	3.9
63.02406	4.2
64.41462	0.6
65.00331	5.3
67.01911	0.6
71.01389	1.1
81.03496	0.9
83.01386	8.1
85.02946	7.0
87.00879	1.0
88.86961	0.6
93.03465	4.1
95.01394	5.3
107.01386	14.9
107.02023	0.8
108.02160	2.4
109.02951	100.0
111.00914	1.0
121.02982	0.9
123.00871	2.9
124.01664	4.6
125.02445	15.7
127.04053	1.2
133.02992	1.5
135.00883	9.6
137.02457	2.9
138.91147	0.7
139.00323	0.7
145.02876	0.9
151.00378	55.5
151.66928	0.7
152.01160	25.8
153.01938	36.0
159.04507	0.7
161.02434	1.6
163.00375	67.3
164.01120	3.7
169.01462	4.1
173.04585	1.2
175.04044	3.7
178.99861	34.4
181.01378	3.4
183.04489	3.1
184.90611	0.7
187.04013	4.1
189.01978	1.5
190.99889	37.0
191.05629	85.3
199.04008	3.1
201.05519	1.1
203.03479	4.2
206.99359	32.8
207.02913	1.5
208.00136	16.4
211.04025	9.8
213.01791	2.0
217.05078	3.8
227.03477	20.3
229.05125	1.6
230.02200	1.0
231.03033	6.0
245.04509	6.3
255.03003	20.3
258.01685	2.9
271.02631	7.0
273.04050	5.3
281.75281	0.7
282.01614	1.0
299.01981	13.5
317.03058	86.3
318.03360	0.8
329.13791	2.8
337.09308	14.2
443.92365	0.7
462.94373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55696	0.2
57.03465	0.6
59.01389	2.5
64.36700	0.2
65.00345	0.2
71.01402	1.4
73.69749	0.3
81.03445	3.3
83.01379	2.5
85.02959	0.3
89.02461	0.6
92.10722	0.4
95.05016	1.0
101.02419	0.3
104.35033	0.2
107.01440	0.5
113.02453	0.4
117.03468	8.3
117.41345	0.3
119.03570	0.3
119.05022	2.9
123.04527	30.8
125.02438	5.3
133.06618	0.3
135.04482	0.3
139.04036	0.3
145.02971	45.4
146.03326	0.5
149.02469	1.0
151.00421	1.8
151.03986	0.3
159.04489	0.3
161.06090	0.3
163.04012	3.5
167.03510	100.0
168.03870	1.2
178.03101	0.2
187.04048	1.7
191.03566	0.6
205.05124	0.6
209.04590	0.5
244.37213	0.3
265.07205	0.6
280.20944	0.3
289.07306	0.4
325.09329	11.6
329.08823	9.3
334.65796	0.3
443.20731	0.3
484.33923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.9
61.98825	1.6
62.96425	0.4
75.14939	0.3
78.95901	100.0
81.20424	0.4
99.92563	0.4
106.46487	0.3
111.08078	0.4
112.29868	0.4
116.92867	2.6
149.00104	7.3
171.90910	0.3
176.05014	0.4
205.15990	3.9
285.12634	4.8
290.75076	0.3
334.19336	0.3
353.42780	0.4
355.16888	3.9
385.17780	0.7
447.13498	6.6
480.58856	0.4
547.89215	0.4
561.07092	0.4
653.30280	47.1
654.30688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33559	0.3
53.03811	0.4
59.01390	0.9
61.98817	1.9
66.46272	0.4
67.18598	0.4
78.95900	100.0
116.92842	1.1
149.00084	7.6
179.01155	0.7
205.15952	3.8
285.12619	3.6
308.93271	0.4
355.16605	3.5
385.17694	0.9
447.13388	6.6
653.30255	48.8
654.30817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
64.35084	0.2
67.01889	0.2
71.01376	0.4
72.99302	0.3
81.03477	0.2
83.05061	0.2
85.02949	7.1
87.00862	1.9
93.03466	2.4
96.95999	0.4
99.04523	0.2
109.02980	0.4
111.04524	1.3
119.05035	1.3
120.99669	0.4
127.03991	2.0
133.02983	1.2
135.04495	1.5
137.02464	0.2
160.33423	0.2
161.02444	1.9
163.04013	1.5
171.03146	0.3
173.04611	1.4
179.03511	0.9
191.05627	100.0
192.06000	0.4
237.26205	0.2
337.09515	0.4
353.08810	9.3
539.23315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32161	0.5
57.03459	0.6
59.01381	13.5
60.89208	0.5
71.01368	6.8
73.02945	0.6
80.79842	0.5
85.02966	0.7
87.00891	0.9
89.02422	5.1
93.03479	0.8
93.19536	0.5
96.96024	2.4
101.02425	1.1
107.12555	0.6
109.02943	1.2
113.02436	1.0
116.92831	1.3
119.05037	0.6
121.02927	4.5
122.03743	3.9
123.04536	0.8
125.02437	0.6
135.04538	7.7
136.05299	1.1
137.02472	0.7
144.16882	0.5
145.02939	2.2
147.04547	0.7
149.06128	4.3
160.05290	1.3
161.06090	4.1
162.03163	0.7
163.03986	7.4
165.09221	0.7
177.05661	0.8
189.05510	1.3
190.06306	0.9
191.07188	1.0
237.05614	1.2
238.06334	4.4
239.07140	2.6
251.07397	1.1
254.05861	0.6
255.16016	0.9
265.05292	1.0
265.08676	1.0
266.05884	6.3
267.06595	4.8
268.07474	4.1
270.05301	1.0
279.09995	0.5
281.08270	0.8
282.09061	6.1
294.09116	1.4
298.04858	1.1
307.09860	2.7
309.11264	2.5
310.32288	0.6
314.08054	5.4
314.15210	3.0
319.19040	0.7
321.11462	0.7
329.17578	6.6
335.09406	1.3
336.09796	0.7
337.10583	1.3
351.12311	2.3
359.18640	0.6
430.14383	0.7
443.15274	0.9
445.16571	3.7
455.14969	3.2
458.13950	2.4
459.18033	1.3
470.16992	0.6
473.16055	21.6
487.17480	3.0
488.18466	18.4
503.20831	100.0
504.21249	0.8
535.20935	0.6
562.91510	0.6
653.27155	2.1
653.36957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31536	1.7
55.40169	1.3
59.01397	13.5
61.98843	2.6
71.01402	3.3
72.71324	1.4
78.17203	1.3
96.96014	9.5
97.72120	1.7
101.02442	2.1
111.10310	1.5
116.92817	2.1
117.03465	25.6
119.05051	15.1
121.02972	2.0
128.33505	1.4
145.02957	100.0
149.06129	2.9
161.06056	7.0
162.06860	26.9
163.03990	12.9
164.04738	2.5
174.06900	17.1
175.07661	9.7
176.04767	9.6
177.05550	9.9
191.07202	3.7
194.05873	9.6
194.39830	1.5
219.31389	1.8
265.91760	1.6
295.09982	5.8
297.11371	2.0
298.12057	2.2
307.08270	56.9
310.12247	7.9
313.14542	11.2
325.14557	10.7
328.12985	2.5
343.15530	40.9
370.58597	1.6
651.24200	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	653.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.8
57.55428	0.3
59.01385	3.3
63.02396	0.8
65.00327	17.6
71.01384	0.3
83.01385	8.7
83.01825	0.5
83.04369	0.4
85.06612	0.7
87.00897	0.6
89.02440	0.5
95.01402	0.4
107.01395	26.7
108.01722	0.8
108.99327	0.4
109.02977	1.9
110.16474	0.4
121.02974	0.4
123.00878	0.5
123.04527	9.9
124.01646	3.1
125.02446	17.7
126.02791	0.6
131.07155	4.7
133.02942	5.3
135.04541	3.1
139.00388	0.5
147.04582	0.5
149.02443	2.3
150.03235	18.9
151.00381	100.0
151.04016	24.4
152.01173	15.7
152.04399	1.6
153.01871	0.8
161.02472	0.4
169.01411	2.4
173.08238	0.8
175.04027	4.0
176.01155	1.6
177.01921	2.5
178.99881	13.1
180.00302	0.7
181.01251	0.4
185.06075	0.8
199.04042	3.2
201.01999	0.8
213.05577	1.8
215.03516	0.5
217.05058	2.3
229.05119	0.5
241.05113	2.3
243.03098	0.6
257.04562	0.8
259.06155	0.9
267.03000	0.6
268.40152	0.4
275.05539	0.6
283.08313	2.2
285.04086	50.1
286.04404	6.0
297.04059	0.5
299.05667	0.4
303.01697	0.6
303.05118	13.8
304.05463	0.7
309.03922	2.1
309.06671	1.3
317.78271	0.4
327.05194	3.7
357.06107	1.6
406.54849	0.4
417.08511	0.5
435.09396	46.1
436.09659	7.5
437.36465	0.4
449.15970	0.4
593.15472	2.7
641.32770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75183	0.2
54.52222	0.2
59.01430	1.6
59.10730	0.2
61.98880	1.1
64.83793	0.3
71.01431	0.9
73.02996	0.3
79.15906	0.2
79.88219	0.2
80.38765	0.2
85.02988	0.4
89.02543	0.2
96.96064	1.5
97.01340	0.2
101.02486	0.9
102.19950	0.2
113.02562	0.3
135.04590	0.3
147.04559	0.3
149.06146	0.5
149.13377	0.3
151.11311	0.4
167.14442	0.4
195.11940	0.3
211.13464	0.5
226.06337	0.5
239.10834	0.5
240.07991	0.3
254.05864	44.5
255.06192	0.6
263.10855	0.9
267.10284	2.8
269.08243	3.4
276.08035	1.4
277.08722	2.6
277.12161	0.8
278.09509	3.9
281.11890	3.5
291.10248	5.8
293.11859	16.9
294.09009	1.0
295.07285	0.2
295.09790	8.9
309.11343	7.4
310.12149	72.2
311.12509	1.2
325.14484	100.0
326.14804	1.5
448.86743	0.3
507.70853	0.3
553.08502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.1
59.01143	0.8
59.01382	6.3
61.98842	4.0
62.90605	0.7
71.01392	1.8
73.02969	1.7
75.95851	0.6
77.04855	0.7
83.01363	0.9
85.02977	1.4
92.10801	0.8
96.96015	3.5
99.04529	0.8
101.02438	3.3
107.65537	0.7
109.02972	3.3
111.22275	0.8
113.02426	1.3
116.92852	7.2
117.03458	24.8
117.05586	1.6
119.05019	15.8
121.02957	7.1
121.16671	0.7
122.03749	3.9
123.04510	1.1
126.51041	0.8
128.08287	0.7
131.98431	0.8
136.05281	0.9
136.51852	0.7
137.02429	1.1
141.01639	0.9
145.02965	100.0
152.36592	0.7
159.04503	1.3
161.06119	1.8
163.04004	11.9
187.04022	0.9
191.07195	2.9
205.05147	0.8
237.29326	0.7
252.15988	0.8
267.16031	0.9
307.08292	40.5
313.10712	1.6
328.13223	19.2
329.13962	4.7
343.15567	22.6
584.03888	0.8
615.33801	1.0
651.24493	14.5
651.33856	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	647.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70121	0.4
57.86821	0.5
59.01390	0.8
59.02565	0.4
71.01398	2.7
72.99265	0.5
75.72993	0.5
81.03453	0.7
85.02971	2.6
87.09795	0.5
92.10080	1.1
92.65710	0.5
93.03404	0.7
95.01392	1.2
96.96006	5.6
97.51743	0.6
101.02449	1.0
108.02179	93.4
109.02962	33.1
113.02413	0.6
118.94196	0.7
119.92619	0.5
121.02979	0.6
123.00891	1.0
123.04540	0.7
125.02460	0.8
133.02826	0.5
135.00887	0.6
137.02438	0.7
139.04016	23.7
145.09023	0.5
151.03928	0.9
152.01161	80.5
153.01945	25.6
163.04002	1.1
165.01907	1.2
169.05064	35.6
191.63600	0.5
195.21260	0.5
315.07254	100.0
316.07684	0.7
331.10400	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	647.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37905	0.2
52.22945	0.1
59.01392	1.3
67.01888	0.3
71.01385	0.5
71.80995	0.2
72.99312	0.5
85.02953	6.3
87.00896	1.3
87.93488	0.2
90.91729	0.2
93.03455	2.5
100.00429	0.4
101.02453	0.3
102.32463	0.3
109.02939	0.8
111.04542	1.2
114.20387	0.2
115.28175	0.2
127.04046	2.1
131.07141	0.5
133.02959	0.4
134.03740	0.4
135.04530	1.5
137.02429	0.3
148.06325	0.3
149.06085	1.5
161.02409	2.2
163.04199	0.3
171.03018	0.3
173.04558	1.5
179.03516	1.0
191.05629	100.0
192.05983	0.4
193.05009	0.9
203.21255	0.2
239.05646	1.3
293.12573	1.1
353.08838	11.4
406.95633	0.2
407.00955	0.3
432.37787	0.2
601.76611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82985	0.3
55.29867	0.2
57.03458	1.1
59.01384	1.6
63.02406	1.0
63.83792	0.2
65.00326	15.5
71.01395	0.4
81.03482	0.3
83.01383	8.5
89.02456	0.4
95.01372	0.5
107.01395	26.7
108.99329	0.3
109.02967	1.4
119.50685	0.2
121.02969	0.3
122.03815	0.3
123.00871	0.5
123.04527	7.6
124.01675	3.0
125.02449	18.5
133.02942	3.8
135.04584	2.2
139.00409	0.5
139.04041	0.5
146.03778	0.3
147.04527	0.4
149.02448	3.0
150.03241	20.1
151.00386	100.0
151.04007	24.3
152.01169	15.8
153.01933	1.6
161.02425	0.3
169.01430	1.8
171.04538	0.5
174.03204	0.5
175.04033	4.4
176.01108	2.2
177.01912	2.7
178.99878	13.4
180.00679	0.5
181.01407	0.4
185.06104	1.0
187.04088	0.3
189.05585	1.3
193.05113	0.3
199.04037	3.9
211.04001	0.6
213.05522	1.4
215.03500	1.1
217.05101	2.3
229.05028	0.5
231.06644	0.3
239.03511	0.3
241.05074	2.6
243.03024	0.5
246.60896	0.2
257.04559	1.3
259.06253	1.1
267.02924	0.4
275.05624	1.3
283.08249	1.7
285.04080	50.2
286.04477	0.5
302.04291	1.0
303.05142	15.0
309.06198	2.7
417.08640	0.4
435.09387	53.3
436.10114	0.3
575.15179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28262	0.1
59.01374	1.3
59.60520	0.1
67.01892	0.2
71.01376	0.2
73.02937	0.2
80.09230	0.1
81.03468	0.2
85.02946	6.5
85.03450	0.2
87.00883	1.7
89.02483	0.3
92.56816	0.1
93.03456	3.0
95.19893	0.2
97.40691	0.1
99.04519	0.3
109.02985	0.3
111.04554	1.0
119.05003	1.4
127.03983	1.8
131.03342	0.2
135.74797	0.2
139.91579	0.2
145.02980	1.1
163.04019	1.2
171.03003	0.4
173.04544	1.7
191.05629	100.0
192.05997	0.9
273.61151	0.2
288.22989	0.2
309.04129	0.3
325.18628	0.2
337.09366	15.5
427.47321	0.2
535.56555	0.2
670.41711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22263	0.9
51.60229	0.7
52.23124	0.7
52.35016	0.9
57.03467	1.7
59.01395	9.4
63.02409	2.2
65.00327	23.0
68.37070	0.9
71.01405	2.3
71.60596	1.0
83.01383	11.9
85.02960	1.5
88.57634	0.8
89.02448	1.4
96.96024	6.3
107.01396	36.0
107.05108	1.0
121.02984	1.0
122.03772	1.4
123.04521	15.0
124.01654	1.6
125.02445	11.5
133.02937	6.7
135.04559	6.5
136.05287	1.4
149.02432	1.7
150.03223	8.5
151.00378	100.0
151.04013	34.5
152.01178	8.4
165.09239	1.6
169.01376	1.0
174.03256	1.4
175.04005	5.1
177.02007	1.9
177.03748	1.0
178.99863	6.9
199.03987	6.6
213.05510	1.5
217.04892	1.5
241.05016	2.4
257.04526	4.3
285.04068	77.8
303.05338	1.3
337.93448	1.2
353.20041	3.8
379.11258	1.1
394.52649	1.1
425.15570	1.1
459.15158	1.3
593.15314	1.1
611.16272	46.3
611.24927	1.7
647.29236	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	643.3344
Annotation	Virescenoside R
Peak:m/z	Relative Intensity
55.01884	5.3
57.03460	5.4
59.01385	29.3
60.99324	0.8
61.98845	1.0
69.03469	1.0
70.44740	0.9
71.01382	30.7
72.99300	1.2
73.02953	8.3
76.50693	0.8
83.01386	8.8
85.02953	19.8
87.00900	1.2
89.02447	7.3
95.01393	3.7
99.00861	2.3
99.04553	0.9
99.52532	1.0
101.02446	23.6
113.02464	17.2
116.92809	1.2
119.03448	1.1
121.06555	1.1
123.04489	1.5
124.90028	1.1
125.02427	2.2
135.04532	1.2
136.05310	15.9
149.06108	3.8
151.03984	1.2
152.07175	1.1
161.04521	3.4
165.09235	10.9
202.29002	0.9
217.16022	4.7
273.29022	1.0
319.22821	11.6
351.21780	1.0
480.34161	1.2
481.28281	6.1
481.35303	28.6
484.65906	1.3
525.23663	1.2
574.96167	1.0
643.33478	100.0
644.33569	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	643.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05420	0.5
55.45054	0.5
57.03465	0.8
59.01384	4.6
60.24171	0.4
62.67681	0.4
63.85512	0.5
71.01400	2.2
71.05029	0.7
71.84204	0.6
83.01398	0.6
89.02446	0.8
93.03450	0.6
96.96043	4.6
97.02950	0.7
97.14034	0.5
99.04517	0.9
101.02401	0.7
107.05029	0.9
108.02161	0.9
109.02956	2.2
111.04484	0.9
113.02462	0.5
121.02985	2.1
121.06587	0.9
122.03745	32.7
123.04573	3.8
124.65472	0.6
125.83434	0.6
134.03795	0.8
135.04532	12.4
136.05307	48.3
137.02454	4.6
137.06041	2.5
137.09758	0.7
147.08206	1.2
148.05298	3.7
149.06087	6.7
150.06871	10.1
151.04010	0.6
151.07649	27.8
151.11310	0.6
160.46898	0.6
161.05991	0.9
162.06902	2.3
163.07661	1.3
164.08459	5.6
165.01942	10.2
165.05443	0.5
165.09212	23.7
166.02643	0.8
175.04143	0.6
179.03476	1.2
180.04263	2.2
181.05193	0.6
195.06622	2.7
203.07243	0.6
205.05142	1.1
219.19025	0.7
225.07648	0.9
234.49715	0.6
261.18451	0.6
308.96326	0.6
315.21796	9.5
329.23462	5.6
351.66061	0.7
359.15027	0.9
390.01672	0.6
402.27655	0.9
417.30060	3.1
420.29050	5.1
435.31253	21.6
463.30466	6.4
465.32019	0.7
466.33395	0.7
480.30908	3.0
481.30963	41.9
575.90393	0.7
643.27545	9.3
643.37061	100.0
644.37567	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	643.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01386	15.9
61.98845	1.9
71.01384	8.8
72.89725	0.6
72.99303	0.7
74.98251	0.5
85.01794	0.5
85.02969	0.9
89.02448	12.0
96.95988	0.9
101.02433	3.2
111.00932	0.5
113.02469	4.5
119.03490	6.3
121.02954	100.0
122.03664	0.5
123.04559	0.7
135.04498	0.7
137.02434	0.8
143.03487	0.8
149.04564	0.8
151.04028	0.5
161.04559	0.9
165.01915	0.9
179.05676	4.9
205.04971	0.7
266.05936	0.5
283.09854	4.7
283.15506	2.6
288.14600	0.6
296.11203	0.5
311.09253	11.7
323.96558	0.5
325.10855	0.8
326.11685	8.3
341.13980	11.3
347.24435	3.3
351.78070	0.5
359.11563	0.6
445.20752	0.7
481.22467	3.6
521.20984	1.7
567.28705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53532	0.9
57.03460	3.7
59.01385	100.0
65.26552	0.8
71.01381	16.5
71.05032	1.1
72.99327	5.8
73.02962	1.3
75.00879	12.8
79.05527	57.0
83.05033	1.3
85.02953	12.1
88.98817	1.2
89.02446	12.9
92.10123	1.1
95.05028	9.1
97.06590	2.2
99.00879	1.2
99.04529	1.0
101.02443	11.9
109.06620	1.3
110.97371	0.9
111.08166	1.2
113.02451	8.8
114.13219	0.9
115.90091	0.9
116.92873	14.1
119.03476	6.5
121.02950	1.9
123.04523	13.0
125.06068	2.3
133.06604	1.2
133.10208	1.4
133.11209	0.9
137.09734	1.5
139.07620	2.0
140.93631	0.9
141.04492	1.9
141.05591	59.9
147.08122	1.5
148.18069	0.8
149.06023	0.9
149.09694	5.2
149.56361	1.0
151.07658	9.0
161.04568	3.5
161.09755	2.2
163.07683	6.5
163.91457	0.8
165.09213	5.9
171.08240	1.0
174.06802	2.1
177.09259	1.8
179.05609	1.8
185.09735	1.0
187.11275	4.6
189.09212	12.2
189.12822	1.2
191.05568	1.5
191.10800	1.2
192.07991	7.4
195.06580	1.6
203.10873	8.0
205.12347	8.0
207.10280	44.9
207.13800	1.8
209.04588	1.4
221.11813	1.7
223.13452	4.4
231.10202	1.9
235.13251	1.6
243.08585	1.3
249.11421	6.5
253.14528	1.5
259.11771	1.7
263.95245	0.9
267.12250	2.3
279.12369	14.7
297.13452	70.8
303.10889	82.9
307.13785	1.1
310.03339	1.0
421.18906	6.3
583.24139	12.8
643.31970	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	641.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10150	0.7
105.50597	0.5
126.50627	0.5
161.15349	0.5
180.90329	0.5
202.40154	0.5
223.70229	0.5
242.05402	0.5
283.26453	100.0
284.26657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
66.85170	0.6
68.14626	0.6
70.54789	0.5
85.99159	0.7
90.07019	0.7
90.97182	1.0
92.66585	0.7
100.17863	0.7
113.21822	0.8
121.65843	0.8
132.98203	1.0
134.97038	0.6
139.43787	0.6
157.03566	4.2
159.01524	3.9
174.99255	22.3
176.98109	0.9
182.54216	0.7
201.02588	60.8
202.02824	0.8
217.00334	79.6
282.15485	0.8
343.03815	12.3
359.01538	57.4
402.93689	0.8
483.17569	0.7
501.02963	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	641.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43575	0.7
57.03456	2.1
57.09517	0.9
59.01385	8.5
71.01398	1.9
71.05046	1.0
73.02958	1.4
75.00867	1.4
82.62363	0.9
83.04998	0.9
85.02944	2.1
87.00881	2.0
88.98816	1.1
89.02447	2.3
89.22807	1.0
95.05040	1.0
96.95997	1.9
107.05051	1.8
113.02448	1.2
116.92857	1.2
121.02969	1.2
121.06609	1.1
122.03745	59.2
123.04541	2.0
123.08167	1.8
125.02390	1.0
125.09708	1.8
133.06607	2.0
135.04527	15.6
136.05310	24.8
137.06075	1.6
148.05309	2.0
149.06184	3.3
150.03145	0.9
150.06851	6.0
151.07663	72.1
164.08505	1.2
165.09193	8.7
167.03535	1.3
171.10233	5.1
177.09186	1.2
185.11821	1.8
191.05576	1.2
191.23140	1.1
283.19275	1.5
327.21808	24.6
335.18625	1.9
336.19467	1.1
382.39569	1.1
390.34460	1.0
415.28949	1.4
433.29654	13.5
461.29211	9.3
474.10095	1.0
478.29532	1.4
479.29639	41.2
641.35541	100.0
642.35992	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	643.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59221	0.4
55.45531	0.4
59.01386	3.0
62.69034	0.4
67.01892	5.0
69.03453	0.9
71.01376	4.2
72.63536	0.4
81.03463	0.6
83.05016	0.9
85.02950	10.3
87.00890	2.6
93.03453	31.7
99.04514	0.8
107.05051	0.7
109.02981	2.1
109.17326	0.5
109.94920	0.5
111.04517	7.0
127.04018	2.1
133.02968	1.7
134.03761	3.9
135.04536	87.8
137.02455	6.6
140.35280	0.5
155.03522	6.1
161.02487	4.9
171.03001	0.6
173.04565	100.0
174.04898	0.5
179.03514	66.1
191.05640	61.7
191.08174	0.6
193.97760	0.6
210.03773	0.6
353.08841	66.8
354.09338	1.0
355.01788	0.5
441.31039	0.4
459.27594	0.4
468.53140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.7
57.03444	1.0
58.00608	0.8
59.01384	23.4
59.01653	1.2
69.03465	0.8
71.01379	22.7
72.99309	1.4
73.02953	5.7
73.03303	0.5
83.01396	3.7
85.02951	9.8
87.00861	5.1
89.02430	8.0
89.02882	0.6
95.01376	1.5
97.06624	0.9
99.00874	1.1
101.02437	15.5
111.00873	0.8
113.02451	5.1
113.09739	0.9
113.98352	0.7
119.03490	1.2
125.02449	0.8
132.21465	0.6
161.04541	1.4
176.94864	0.6
239.16504	6.0
255.19649	12.3
255.27847	0.7
257.17596	45.1
269.17578	0.9
271.19083	0.8
325.44763	0.7
401.21826	3.3
417.24924	8.9
419.22910	26.7
479.24496	0.8
579.29974	1.5
581.28223	18.2
623.29559	3.7
641.30383	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	641.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53521	0.4
55.01884	3.0
57.03460	2.6
58.00610	0.5
59.01381	30.9
60.72474	0.4
69.03456	0.9
71.01381	22.9
72.99324	1.1
73.02956	5.9
81.03464	0.5
83.01397	3.5
83.05001	0.6
85.02949	8.6
86.00092	0.6
87.00874	5.5
89.02441	9.8
94.71421	0.6
95.01395	2.4
97.02937	1.1
99.00903	2.3
101.02438	16.4
111.00860	0.7
113.02443	6.2
119.03505	3.6
125.02434	2.0
131.03499	0.6
137.32161	0.5
143.03513	0.7
161.04562	2.9
197.80399	0.5
221.06599	0.6
237.14899	0.7
237.18542	1.2
239.16580	6.3
255.19646	13.2
257.17615	39.9
299.18442	0.6
335.77615	0.5
347.67599	0.5
395.55270	0.5
399.24033	0.5
401.21826	3.0
417.25021	9.4
419.22946	21.7
461.24054	2.6
479.24792	0.8
517.59534	0.6
563.26428	0.6
579.30316	1.8
581.28125	13.6
623.29169	2.9
641.30377	100.0
642.31036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19072	0.2
54.83068	0.3
58.01658	0.3
59.01383	6.1
61.98834	20.0
71.01396	1.3
80.95288	0.3
85.02953	0.8
87.13062	0.3
89.02457	0.3
92.10104	1.0
110.53474	0.3
117.03450	8.6
120.74249	0.3
131.01385	1.5
161.02415	0.6
163.00417	0.5
163.04036	0.6
173.02473	5.4
175.00377	8.0
198.77754	0.3
221.06113	0.4
237.05663	0.5
249.05678	0.5
265.05014	0.5
269.04572	0.7
281.04636	1.4
282.05060	0.4
283.06119	6.3
293.04608	100.0
294.05002	1.9
295.06210	0.4
311.05673	11.3
314.04410	0.8
323.05597	1.7
335.05844	0.7
341.06793	0.7
413.08850	19.8
457.11395	0.8
492.28036	0.3
570.82843	0.3
577.15723	40.9
578.15656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82732	0.2
54.30946	0.2
57.03449	0.4
59.01395	1.2
60.99314	0.6
65.68512	0.2
67.01904	4.2
68.93852	0.2
69.03459	0.5
71.01398	1.4
77.02625	0.2
81.03484	0.6
83.05045	0.3
85.02967	5.7
87.00883	6.9
93.03462	25.1
96.96005	0.2
99.00893	0.3
99.04533	0.5
109.03003	0.3
111.04525	4.3
113.02482	0.2
115.04057	0.3
119.05035	8.9
127.04002	1.6
129.01949	1.1
145.02998	1.5
155.03531	0.9
163.04027	7.8
171.03032	0.4
173.04567	8.6
191.05638	100.0
192.05942	1.2
203.93541	0.3
337.09360	26.0
377.86014	0.3
409.21423	0.3
448.70764	0.3
534.18628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1575
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.05817	0.3
59.01393	0.5
61.46191	0.3
65.00337	0.8
68.73514	0.3
79.95749	0.4
81.03513	0.3
83.01401	0.4
83.76978	0.3
89.25047	0.3
102.98635	0.4
107.01418	1.3
109.02997	0.7
110.92036	0.4
121.02974	1.9
124.01625	0.5
124.23614	0.4
125.02432	0.7
135.00949	0.4
137.02475	2.7
143.05028	1.5
149.02490	0.5
151.00389	5.1
159.04555	1.7
163.00444	2.1
163.04134	0.4
164.01198	2.4
165.01942	8.1
171.04509	2.8
173.02466	0.8
175.04010	0.8
177.01982	0.8
187.04025	5.2
189.01888	0.7
190.02699	0.4
193.01462	3.9
195.02916	0.4
199.04024	4.1
201.01920	0.5
203.03523	5.3
204.04323	0.5
207.02980	0.5
208.21129	0.4
213.01926	2.3
214.02785	1.5
215.03590	6.9
217.01447	0.5
219.02985	0.4
227.03651	0.6
228.04237	0.5
231.03012	7.1
231.63499	0.4
241.01529	2.0
242.02235	1.8
243.03012	20.1
253.03972	0.6
256.03647	0.4
257.04797	0.4
258.01755	5.7
259.02490	19.4
260.02762	0.7
265.07458	2.3
269.01059	0.8
270.01669	3.2
271.02533	2.0
272.03293	0.5
273.04077	4.6
284.03241	2.4
285.04089	8.3
286.01376	1.4
287.02014	100.0
288.02768	5.9
301.03613	5.5
302.04361	5.2
303.05127	0.9
313.03760	0.5
315.01505	4.6
316.02380	0.5
330.03876	51.3
331.04697	8.6
339.67538	0.4
353.32693	0.4
356.65308	0.5
639.15759	69.4
640.15796	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	639.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
55.88981	0.6
59.01386	57.6
59.01688	1.9
59.62321	0.6
60.49982	0.6
62.73153	0.7
71.01384	26.2
72.99320	1.7
73.58884	0.8
83.01403	0.9
85.02947	6.0
85.45298	0.8
89.02441	35.7
95.01393	1.8
96.96019	7.1
97.08109	0.8
101.02442	18.4
103.30698	0.7
113.02441	10.7
119.03506	16.8
123.04554	1.6
153.05585	3.3
179.05658	1.1
219.93549	0.8
291.53763	1.0
315.10605	0.8
323.13535	100.0
324.13818	1.8
466.18463	0.8
488.58221	0.9
562.77136	1.0
611.78485	0.9
618.23309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40859	0.2
56.67214	0.3
58.02983	17.4
70.02976	7.4
72.00916	4.2
91.05527	8.6
96.95998	0.5
147.04536	33.0
162.09238	0.7
164.07187	87.5
165.07378	0.4
195.06685	0.4
206.08249	100.0
207.08589	1.3
239.74841	0.3
240.81184	0.3
242.40233	0.4
246.21982	0.3
250.07257	0.8
334.44351	0.3
401.74347	0.3
548.81293	0.4
649.39819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06197	0.4
55.01901	0.4
57.03462	0.7
58.00605	0.5
59.01386	17.7
64.35361	0.5
71.01389	11.2
71.01767	0.5
72.83950	0.4
72.84334	0.4
72.99335	0.5
73.02982	1.0
81.03487	0.5
83.01408	0.7
85.02980	1.8
89.02447	12.2
93.03439	0.4
97.02970	0.9
97.15192	0.4
101.02451	0.5
109.02955	4.4
113.02457	1.5
123.04537	3.0
123.08204	1.8
125.02426	2.7
125.09717	11.9
131.03545	0.6
133.97206	0.4
135.08174	1.7
137.02460	2.0
137.09798	0.5
139.04030	0.7
149.04643	0.4
151.04059	1.8
153.09219	9.8
155.10852	0.5
159.04501	0.4
161.06151	0.7
169.08696	6.4
171.10277	7.0
175.04013	0.4
179.03540	0.7
179.07196	0.4
187.03897	0.4
197.08211	8.1
199.09897	0.7
203.07214	2.2
205.04980	0.5
211.09805	0.8
215.09294	87.2
217.51881	0.4
221.08319	0.6
222.57578	0.4
227.07207	0.4
245.08221	2.1
253.40030	0.4
257.10400	1.7
272.16272	0.4
289.07220	8.9
327.94772	0.5
347.13519	100.0
348.13623	0.5
591.46460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20045	0.2
56.38243	0.2
59.01400	1.1
60.63468	0.2
63.02411	3.8
63.62909	0.2
65.00332	5.7
71.01388	0.5
73.02952	0.4
83.01397	4.2
89.02454	0.3
93.03463	1.9
107.01395	15.2
109.02986	1.5
116.92846	2.2
121.02958	13.3
125.02431	0.5
136.05324	0.2
139.04033	0.5
149.02451	1.7
151.00380	51.1
159.04579	0.4
161.02396	0.5
163.00308	1.0
163.04085	0.6
164.01193	0.6
169.01411	2.7
178.99867	18.5
183.10182	0.3
187.04027	0.4
193.01436	1.0
201.05585	0.4
211.03998	0.6
229.05067	1.1
233.04555	0.3
245.04605	1.3
257.04565	0.5
273.04016	3.2
274.06717	0.3
299.01920	0.5
301.03568	100.0
302.04031	1.1
315.92850	0.3
383.60049	0.3
458.42746	0.3
646.51544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26428	0.3
55.71670	0.4
57.03461	2.0
59.01390	2.3
63.02417	0.8
65.00333	15.4
71.01368	1.1
83.01395	8.3
92.10137	0.5
96.96026	1.9
107.01401	28.2
108.02182	0.4
109.02985	0.9
123.00930	0.5
123.04521	6.8
124.01662	2.1
125.02450	18.7
127.07655	0.6
131.01941	0.5
133.02960	4.4
135.04527	2.8
137.02461	0.5
137.20139	0.4
147.45662	0.4
149.02455	2.6
150.03239	20.1
151.00392	100.0
151.04015	24.7
152.01173	14.8
153.01897	0.9
161.02377	1.0
169.01414	2.7
171.04433	0.5
175.03998	3.1
176.01154	0.8
177.01996	3.0
178.99886	14.9
180.00723	0.6
185.06042	0.5
189.05722	0.9
197.06116	0.6
199.03979	3.8
201.02213	0.5
213.05577	0.8
217.05075	2.7
229.05099	0.7
241.05145	2.8
257.04697	0.9
259.06284	0.9
272.98981	0.5
275.05688	0.5
283.08334	1.0
285.04089	50.5
286.04401	0.9
303.05115	14.0
309.06229	1.8
412.55484	0.5
435.09430	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70075	0.4
59.01383	100.0
63.86029	0.3
69.61448	0.4
71.01389	2.1
77.37934	0.4
82.94667	0.4
87.45580	0.3
89.02449	2.1
95.85820	0.4
101.02450	0.8
113.02441	1.5
118.19562	0.4
119.03493	1.7
154.36356	0.4
166.79404	0.3
179.05571	0.5
189.21532	0.4
435.32651	0.4
575.43335	0.6
615.31110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
57.69939	0.6
59.01381	6.9
61.35250	0.6
61.98840	9.6
69.54785	0.7
71.01392	4.3
73.02940	1.2
82.95434	0.8
83.05072	1.1
85.02985	0.8
87.03996	0.7
89.02443	1.4
96.95996	5.1
97.02932	0.7
101.02454	0.8
102.18896	0.6
102.43871	0.8
113.02421	0.8
115.79557	0.7
131.03519	1.4
147.04515	0.8
172.73102	0.8
191.05685	0.7
225.40773	0.8
254.05888	47.3
263.10791	0.8
267.10257	3.9
269.08130	1.5
277.08728	1.4
278.09439	4.4
281.11844	1.6
291.10303	3.9
293.11893	14.2
294.08902	1.0
295.09851	11.5
309.11438	8.4
310.12167	67.5
322.78613	0.8
325.14511	100.0
326.14954	1.3
346.32629	0.7
475.40405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01385	100.0
60.30178	0.7
60.76465	0.7
61.98830	3.4
64.31015	0.6
68.99566	2.6
78.79645	0.7
82.81769	0.7
87.00827	0.7
92.10126	0.8
96.96021	1.2
97.06670	0.6
99.92655	1.2
112.98556	1.6
114.28074	0.7
114.93414	1.4
116.92860	11.6
117.55495	0.7
123.69849	0.7
147.04466	1.2
149.83112	0.7
165.51015	0.7
337.84921	0.9
412.37155	0.7
441.06677	0.8
450.94061	0.8
628.74878	0.8
635.25122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12573	0.3
59.01388	3.2
61.98832	3.3
70.17542	0.3
73.02950	1.9
76.73460	0.3
80.58961	0.4
88.46432	0.3
91.63789	0.3
99.00867	0.7
99.92583	10.7
116.92860	100.0
116.97244	8.1
117.01919	1.9
117.92924	0.5
142.40097	0.3
251.02322	0.3
388.74158	0.4
410.97690	0.3
471.25690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18776	0.8
55.01877	1.7
57.03462	5.0
59.01385	100.0
61.98829	10.1
71.01379	41.9
71.01773	1.3
71.05066	0.9
72.99319	2.1
73.02947	7.9
78.36328	0.9
83.01395	4.6
83.05045	2.3
85.02946	16.3
87.00873	1.1
89.02438	40.6
95.01371	1.9
95.05020	1.1
96.96020	2.4
97.06564	1.1
99.00907	2.0
99.04562	1.2
101.02446	35.6
109.06631	1.9
113.02461	15.4
116.92905	1.9
119.03505	12.7
125.02415	1.4
131.03496	21.3
143.03465	1.8
149.04591	13.9
161.04564	6.9
179.05585	12.1
191.03972	1.1
191.05501	7.9
251.07664	1.2
439.27081	25.0
571.31354	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	633.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59528	0.6
57.03460	4.0
58.85625	0.9
59.01386	12.0
64.34998	0.7
69.03467	1.1
75.00896	0.8
80.02671	0.8
81.03450	5.7
83.01398	5.2
93.03463	3.1
95.01382	0.9
95.05019	7.8
96.96004	1.7
97.02948	13.0
107.05058	1.4
108.02178	1.2
109.02211	1.7
109.02962	48.6
109.06601	3.0
111.04485	0.8
119.04999	3.8
121.02963	12.8
122.03738	3.4
123.04527	35.4
125.02443	27.7
133.06541	0.7
135.04495	9.5
137.02454	19.6
137.06076	25.3
138.03206	0.9
139.04059	5.9
143.05156	1.0
145.02933	4.3
146.03760	1.6
147.04489	1.3
149.02451	18.5
150.03244	1.7
151.04012	17.3
157.06625	0.8
159.04442	5.8
160.05280	3.5
161.02470	1.2
161.06116	7.9
162.03265	3.0
163.04010	3.0
164.01173	5.6
164.04788	10.7
165.01926	5.5
166.02719	10.6
167.03511	3.5
173.06111	1.6
175.04015	3.2
175.07620	3.3
176.77261	0.8
177.05478	1.0
179.03510	10.0
179.07158	3.9
181.05078	70.4
182.05443	0.9
182.94441	0.9
185.06076	0.9
186.06754	0.8
187.04021	10.3
188.04852	6.3
193.01445	0.8
195.05162	3.6
196.05479	0.9
199.07658	1.2
201.05592	1.6
202.06355	3.5
203.07169	20.8
205.05104	12.1
208.03847	5.2
221.08290	5.4
223.06160	13.9
227.07118	4.2
245.08223	22.2
247.06055	1.1
289.07230	100.0
290.07562	1.1
307.07846	0.9
333.10007	0.7
343.10370	29.6
343.14456	1.4
375.02878	0.8
457.14905	0.9
513.34961	1.0
531.98309	0.8
615.95404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85768	0.4
55.80434	0.4
59.01398	1.1
63.15382	0.4
67.37122	0.4
72.31693	0.4
72.99318	0.8
96.96027	0.5
109.02979	1.0
111.44827	0.5
120.02499	0.4
122.03749	0.5
123.04527	70.0
124.04917	0.6
132.08795	0.4
149.09773	0.5
153.05589	100.0
160.05237	0.4
173.09729	1.7
186.67389	0.6
191.10783	0.8
197.21765	0.5
307.08289	4.6
315.07373	1.0
315.10925	16.3
315.14487	0.9
575.08185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02737	2.4
55.22084	2.3
57.73587	2.2
59.01389	18.8
65.26684	2.5
89.02432	3.1
105.15155	2.4
108.99772	3.1
112.80784	2.9
133.02966	18.7
184.94823	3.2
198.90337	2.7
240.23193	2.7
284.03226	5.6
285.04163	4.5
297.04062	24.1
298.04861	15.9
299.05597	27.0
309.04086	83.7
327.05139	100.0
339.05347	3.4
357.06061	34.9
403.56653	3.1
429.08017	12.4
473.11108	12.3
529.92914	3.2
537.42377	2.8
593.15204	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	629.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91439	0.4
53.75882	0.4
54.64318	0.5
59.01382	11.9
71.01384	6.3
72.99315	1.1
73.02949	1.0
74.85480	0.5
85.02977	2.2
89.02434	7.9
89.02842	0.5
96.95998	1.1
101.02435	5.2
107.05025	4.6
109.02940	0.6
113.02456	3.3
115.07657	2.7
119.03497	2.9
122.03748	0.5
123.04521	69.8
125.02442	1.0
129.05602	1.0
135.04521	12.8
137.02446	0.6
151.04010	2.7
153.05582	100.0
163.04025	0.5
191.05785	0.7
194.21260	0.5
205.07184	3.9
313.09467	0.6
315.10910	43.5
316.10974	0.6
386.63309	0.6
407.07568	0.8
505.04330	0.6
602.51953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
60.99313	0.8
73.47614	0.5
88.98792	4.4
89.02448	0.7
93.03493	0.7
112.21769	0.5
117.03453	0.5
121.02969	2.8
122.03732	4.7
132.02155	0.8
133.02899	0.5
147.04431	0.7
148.01721	0.6
149.02451	51.3
150.03236	46.6
154.24535	0.5
164.04807	18.9
165.05574	52.1
175.00304	0.5
180.04263	5.0
181.05016	4.2
182.05908	0.9
182.86795	0.5
185.20142	0.5
193.08725	3.5
195.06650	31.3
196.07387	3.5
197.08231	2.3
197.90285	0.6
211.09822	4.7
257.66534	0.5
293.04623	10.4
344.12689	16.3
359.15048	67.4
360.15662	0.7
361.08582	0.6
389.16199	1.2
407.17197	43.1
413.08911	2.7
441.94556	0.6
541.47577	0.6
593.15466	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.0
58.00586	0.8
59.01385	100.0
59.40590	0.6
61.81268	0.7
71.01385	15.8
72.99314	1.4
73.02968	0.8
73.35480	0.7
81.03475	1.7
83.01402	3.5
85.02953	3.9
85.75850	0.7
86.89465	0.7
87.00860	1.5
89.02448	26.6
93.03461	1.0
95.05025	1.2
96.96016	3.0
97.02961	3.3
101.02442	9.4
103.76743	0.7
103.90921	0.7
107.05047	1.4
109.02939	10.7
113.02452	7.5
115.94212	0.8
116.40897	0.6
119.03473	10.8
121.02934	3.8
122.59280	0.8
123.00862	0.8
123.04510	8.7
125.02432	51.9
133.02942	1.1
135.04437	1.2
137.02451	15.1
139.03990	3.6
143.07149	5.1
149.02451	7.0
151.04005	11.1
161.04677	1.0
161.06065	3.2
163.03992	1.6
164.01160	1.1
165.01894	4.4
167.03455	5.8
175.03979	6.1
177.01924	45.1
178.02438	1.2
179.03499	3.3
179.05585	3.8
187.04033	4.3
188.04665	0.9
191.03506	1.0
199.39966	0.8
201.05589	1.1
203.07147	5.9
205.05045	3.5
207.29431	0.8
211.04166	1.0
215.03491	0.8
216.73216	0.8
219.06651	0.8
227.03403	0.8
229.05061	1.7
230.05540	0.8
243.02940	1.0
245.08208	7.6
248.54562	0.9
255.03059	5.3
256.03589	3.3
273.04013	1.1
281.04541	1.5
283.02350	1.3
285.04037	1.1
289.07202	19.5
303.05109	4.8
305.06662	4.2
323.13492	92.9
339.08627	1.2
407.07632	19.6
425.08749	19.3
426.09268	0.8
431.56833	0.8
467.09982	3.0
593.13098	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	631.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
71.01398	1.1
72.99299	0.5
73.02938	0.8
79.93494	0.4
85.02961	2.9
87.00911	1.6
87.04523	0.8
96.96005	0.6
101.02453	1.1
105.03809	2.7
109.02996	0.6
109.06593	2.5
110.00103	3.2
113.02449	2.3
123.00912	0.7
123.04543	0.5
124.01640	0.5
125.02424	4.8
132.95143	0.4
137.02396	0.9
137.06053	0.7
137.99593	5.2
138.03270	0.6
139.00345	1.9
140.01155	0.6
147.08159	1.1
152.01175	3.7
153.01941	100.0
154.02724	3.9
155.03470	1.8
161.04518	1.8
166.02757	0.8
167.03497	9.9
168.04280	47.4
169.05063	5.8
173.09708	2.4
179.03471	0.5
191.03595	0.5
191.07123	0.8
191.10849	0.9
196.03694	0.5
201.09286	0.7
209.04628	0.6
219.10318	1.8
232.22076	0.4
241.97452	0.5
246.31172	0.5
281.10147	1.5
302.67557	0.4
325.09369	11.5
331.10397	27.6
376.86710	0.4
386.28842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99937	1.6
55.45515	1.9
57.03459	15.3
57.16615	1.8
59.01382	11.0
65.36521	2.3
73.74355	1.8
78.95900	3.2
83.01369	3.6
93.03454	3.9
95.05028	2.1
96.96024	12.0
97.02965	3.1
101.02445	3.5
107.04985	2.5
108.02169	10.8
109.02938	25.6
121.02946	11.4
123.04516	22.2
125.02430	100.0
133.02931	2.3
135.04497	2.7
137.02422	33.1
139.04028	12.8
149.02444	13.0
151.03989	21.7
152.01160	12.1
161.02463	2.7
161.05986	3.0
164.01166	3.8
165.01852	4.3
167.03494	28.4
175.04030	12.6
177.01915	97.9
179.03473	4.3
182.70583	1.8
187.03969	8.7
188.04750	2.3
191.03511	2.8
191.05614	3.8
203.07152	11.9
205.05023	8.1
209.75838	1.9
211.03902	2.9
217.05009	2.4
229.05212	2.8
245.08191	13.1
251.94574	2.2
255.02922	12.5
256.03784	4.5
273.04218	2.5
281.04514	2.9
285.04257	2.2
289.07239	46.2
303.05118	7.7
305.06717	2.6
323.13510	10.4
325.09317	11.5
339.08792	3.7
407.07776	47.4
425.08789	42.0
467.09537	8.0
593.13116	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	629.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85036	0.4
54.74779	0.4
54.83164	0.4
56.38599	0.4
58.91095	0.4
59.01377	1.2
62.62040	0.4
63.02398	0.5
64.92665	0.5
65.00306	0.5
83.01350	0.7
91.01907	0.5
93.03454	2.6
107.01387	2.9
109.02966	1.1
132.02109	0.7
135.00883	1.0
142.44743	0.6
150.03218	0.9
151.00343	5.0
157.06557	0.8
159.04536	1.0
163.00351	4.8
165.01888	0.8
169.06595	1.1
171.04482	0.7
172.78650	0.5
173.06029	0.5
185.06013	4.0
187.03969	4.7
189.05591	1.1
197.06097	1.0
199.03975	1.2
211.03996	3.0
213.05577	3.1
226.02829	0.5
227.03493	43.3
229.05055	18.1
239.03539	2.5
240.04475	0.9
241.05115	2.5
255.02982	73.8
256.03647	6.1
257.04578	10.4
267.02844	0.9
284.03250	92.4
285.04034	100.0
286.04391	0.7
327.05197	2.4
328.92990	0.6
593.15149	91.8
594.15576	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	627.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61669	1.1
57.03471	5.0
58.00603	1.3
59.01383	33.1
61.98834	3.0
71.01381	19.4
73.02951	9.0
73.71507	1.3
83.01406	2.3
83.05028	1.7
85.02962	8.2
88.98809	2.7
89.02441	12.5
95.05028	2.7
96.96021	1.6
97.03009	1.9
99.00881	1.3
99.04525	2.2
101.02432	11.6
107.05062	6.8
113.02470	3.0
113.70564	1.3
115.37375	1.4
116.92841	1.9
119.03473	2.9
121.02911	1.6
122.03694	10.8
125.06099	1.4
135.04524	72.2
135.08170	1.4
136.05266	1.7
141.14268	1.3
147.04652	1.4
148.05289	2.4
149.06093	1.7
150.03204	2.6
151.07654	1.7
156.68022	1.4
159.59157	1.4
163.07663	1.7
223.13708	1.4
238.27328	1.3
287.14853	1.5
325.38718	1.6
348.59201	1.7
373.27377	2.0
375.25650	1.6
447.31552	2.6
465.31735	23.5
519.51263	1.4
627.37616	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	627.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94196	0.1
59.52758	0.1
75.46493	0.1
92.66616	0.1
96.15105	0.1
166.42070	0.1
251.23865	0.2
269.24902	100.0
270.25369	1.1
298.03464	0.2
323.32895	0.2
349.62656	0.2
495.14133	0.2
565.48578	0.2
616.75385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26803	0.6
55.01886	0.8
57.03457	1.0
58.00604	2.6
59.01385	100.0
61.98870	0.7
66.04065	0.7
71.01379	38.6
72.99316	3.5
73.02949	1.2
83.01386	1.1
83.05035	1.3
85.02950	8.7
87.00888	1.4
89.02444	51.3
95.01406	2.9
96.95992	5.1
101.02434	21.6
113.02460	16.2
116.92870	1.3
119.03503	23.0
121.02924	3.8
122.03716	1.1
125.06084	5.1
131.03548	1.2
135.04530	1.6
138.33829	0.8
143.03542	4.2
149.04594	3.2
151.03984	1.2
161.04572	4.3
163.58623	0.7
179.05643	24.8
190.88861	0.6
385.17017	0.8
441.17737	1.2
465.32175	2.8
567.24384	10.4
627.37457	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	627.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.99654	1.1
57.03441	11.5
58.82706	1.2
59.01377	100.0
61.03826	1.2
61.05382	1.3
61.98834	2.9
65.00327	3.2
69.03486	1.2
69.87795	1.3
71.01372	25.0
72.07172	1.5
73.02943	6.7
83.01370	2.0
83.05042	1.7
85.02918	11.8
87.00886	1.9
88.98778	1.9
89.02426	19.0
89.70861	1.2
95.01437	1.6
96.96037	2.1
97.02887	1.3
97.06596	1.6
101.02412	14.7
101.45417	1.4
107.05035	5.1
109.02910	1.8
111.04537	1.3
113.02453	11.4
116.92796	1.5
119.03486	5.2
122.03724	11.4
123.04495	6.0
123.08139	1.4
124.01674	2.3
125.06070	41.0
130.54552	1.3
133.06537	1.4
135.04510	47.9
135.08113	22.8
147.08153	1.4
149.06151	1.6
149.99599	3.0
150.03198	7.1
151.04044	11.4
151.07706	1.4
153.35893	1.2
161.04539	8.2
161.05914	1.2
163.03981	7.6
165.09183	5.1
177.01976	1.6
177.09175	2.8
179.05644	2.9
189.01903	1.5
189.09148	1.7
191.03511	21.3
205.12277	10.3
235.13315	2.5
247.17049	1.5
257.15399	5.2
275.16519	6.1
279.12360	2.3
297.04007	1.8
297.13400	7.5
309.03821	2.4
311.05569	2.4
317.17514	7.4
323.05453	3.0
343.15421	21.4
405.19189	52.1
405.24847	2.2
447.31107	2.0
465.32159	23.0
477.19116	32.0
495.20285	5.4
567.24518	6.6
627.24738	17.0
627.37524	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95348	0.5
53.20438	0.5
54.13982	0.5
54.15980	0.4
55.01882	4.5
57.03456	3.2
59.01383	55.2
71.01380	24.9
72.99324	0.9
73.02944	7.8
73.95079	0.5
83.01393	7.7
85.02951	15.9
86.00100	1.2
87.00882	2.6
88.98801	1.3
89.02444	7.6
95.01397	1.2
99.00883	4.1
101.02438	27.8
103.00406	0.6
107.54729	0.6
111.00862	5.8
113.02456	12.3
119.03509	2.9
125.02451	0.8
129.01923	0.7
129.18192	0.6
141.01982	0.7
155.57965	0.7
159.02956	2.3
161.04555	4.1
243.19522	1.1
385.74170	0.6
405.24875	4.2
447.26187	4.8
465.27014	1.5
507.22687	0.6
544.84747	0.6
567.30579	4.6
574.12775	0.6
591.26416	1.1
609.31335	1.5
627.32434	100.0
628.32935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
59.01386	28.6
65.00339	2.4
65.03971	2.3
67.01910	1.0
67.90028	0.4
71.01391	1.9
71.99731	0.4
83.01403	1.0
85.02963	2.2
87.00889	0.6
89.02449	1.0
91.01893	25.8
93.03468	0.9
96.96023	0.5
101.02425	0.7
107.01395	4.2
107.05036	0.7
108.02211	1.7
109.02220	1.0
109.02966	29.1
113.02431	0.5
119.03496	0.4
119.05054	1.0
121.02952	1.0
123.04531	1.7
125.02426	3.9
133.02917	0.9
135.00896	100.0
136.01637	0.6
137.02460	5.2
149.02464	3.7
151.00397	6.6
151.04082	3.4
152.01164	1.0
153.01955	74.9
161.02472	0.7
163.04010	1.0
164.01117	0.5
165.01921	2.6
166.02754	0.9
167.03484	0.9
175.04002	2.7
177.01932	3.3
178.99889	0.6
179.03513	1.0
180.04274	0.9
187.04037	0.7
189.02029	0.7
191.03799	0.9
191.05643	8.6
192.00702	0.6
195.06670	0.7
197.06140	0.6
215.03540	2.7
225.05655	0.9
225.07663	0.5
227.03526	0.9
231.03149	0.5
243.06638	9.4
255.03152	0.7
257.04739	0.5
283.02634	0.5
284.03311	0.6
285.04138	2.1
297.06201	32.0
301.03610	8.1
405.11981	38.1
406.12183	0.5
424.20233	0.5
465.10104	0.5
491.87589	0.5
585.92493	0.5
627.18536	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	627.2107
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.77029	0.8
57.03444	1.3
58.28576	1.0
59.01385	35.5
61.98843	7.0
72.49332	0.8
73.02940	1.6
75.00865	2.0
83.05048	1.6
87.04518	1.2
88.98783	1.6
99.04561	1.4
109.06546	1.7
114.23977	1.1
116.92877	1.5
121.02982	6.1
147.04509	8.4
163.04071	1.2
166.79387	1.1
179.03404	1.0
209.15530	1.2
232.55634	1.0
233.15384	1.1
437.12430	1.4
438.12662	1.5
451.14178	1.5
452.14828	6.7
479.17386	1.4
480.14926	1.2
481.15115	9.1
493.15350	1.8
494.16251	1.5
495.16757	24.9
508.17456	2.5
526.15466	1.7
535.16541	2.0
536.16797	2.3
540.16278	4.9
551.19513	55.4
554.15155	1.3
555.18890	1.6
572.16058	3.7
586.17407	1.6
595.18481	9.0
627.21100	100.0
628.21289	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	627.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37065	1.1
55.22334	1.2
57.03461	2.1
57.18292	1.3
59.01389	66.4
68.89153	1.2
71.01389	29.7
72.99301	2.7
73.02969	5.8
73.04076	1.2
78.46687	1.5
79.72320	1.2
83.01372	1.7
85.02965	12.1
87.00887	2.5
89.02447	36.6
93.03471	2.6
96.96036	1.6
101.02445	19.9
107.05051	9.2
109.02987	3.7
113.02460	13.3
119.03544	17.2
119.05031	43.5
120.05385	10.4
125.02457	8.1
137.02423	2.5
138.01990	19.1
139.02301	2.5
143.03470	1.5
149.02446	1.8
149.04500	1.4
151.04004	1.8
161.04651	1.8
163.04012	28.2
164.04475	7.5
165.01985	1.7
167.03474	1.7
191.05635	32.3
197.13846	1.6
223.06094	1.8
227.42003	1.5
280.58426	1.6
286.08615	1.9
289.07159	11.3
300.02258	2.4
301.02716	2.0
301.10956	3.1
313.09470	2.1
337.15137	100.0
375.14578	8.6
405.15686	6.2
465.10767	1.4
465.19046	1.8
627.15253	2.0
638.32916	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	627.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.0
59.01381	51.3
64.52388	0.9
71.01376	26.0
72.99302	1.5
85.02958	5.3
87.00858	2.0
89.02430	31.5
93.37273	1.1
95.01371	1.2
96.95998	10.0
100.12409	0.9
101.02430	21.3
108.02198	1.2
109.03011	1.5
113.02436	10.9
119.03497	15.9
125.02426	3.7
125.68965	0.8
131.03448	0.9
139.04004	19.8
145.73505	0.9
152.01183	1.4
154.82474	1.0
169.05063	31.0
177.61513	0.9
179.05568	1.2
293.33563	1.0
295.10367	100.0
315.07077	1.3
327.11035	1.1
331.10355	13.8
332.01349	1.0
590.44757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81326	0.3
52.02776	0.3
54.68483	0.3
55.01890	2.0
55.18140	0.3
57.03463	2.5
58.00613	0.6
59.01387	15.9
59.01687	0.6
60.42225	0.3
65.60247	0.3
69.03473	1.6
71.01382	19.4
72.99292	0.8
73.02959	4.3
83.01402	2.7
85.02962	5.7
86.00092	0.7
87.00877	5.1
89.02451	3.7
92.10767	0.8
95.01395	1.5
97.02958	0.4
99.00883	0.8
101.02429	6.9
111.00887	0.4
113.02441	4.0
113.09697	0.4
119.03467	0.9
124.01675	0.6
125.02433	1.6
127.11331	0.6
154.45937	0.4
161.04573	0.7
181.08632	0.4
221.19145	21.8
239.20184	3.3
257.21182	1.4
265.18124	14.7
283.19189	16.8
301.20239	21.4
315.21805	1.6
325.20303	0.6
343.21365	0.9
390.08817	0.4
427.23581	0.9
445.24503	6.6
463.25549	16.1
604.77216	0.4
607.30121	1.8
625.30908	100.0
626.31390	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	627.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46030	0.7
57.03470	1.2
59.01390	5.6
63.02409	1.4
65.00330	23.6
71.01406	1.5
73.02954	0.9
75.00904	1.0
83.01381	12.0
85.02979	2.2
87.00882	1.6
89.02441	1.1
92.10772	1.2
93.03486	1.6
95.01390	1.9
107.01400	34.4
109.02985	1.1
111.00885	1.5
121.02975	4.1
123.00892	1.0
123.04497	1.9
124.01669	3.8
125.02425	12.4
127.24426	0.9
131.05051	1.1
137.02475	1.6
138.03186	1.2
139.04030	4.4
139.71671	0.9
141.43945	0.9
145.02963	4.4
149.02457	12.4
151.00386	93.7
151.02852	2.1
151.04002	38.6
152.01192	9.7
155.55789	1.0
159.04532	4.5
161.02438	1.5
165.01973	4.7
166.02725	20.7
167.03539	17.7
167.04939	1.8
169.01408	2.0
173.06010	1.0
175.00378	4.6
175.03938	1.4
177.01910	2.2
178.99875	8.9
179.03514	1.1
180.04283	3.7
183.04469	1.2
187.03987	9.6
189.05524	1.3
190.02672	1.2
191.03557	4.2
191.05617	19.7
192.00685	5.4
193.01385	2.1
195.06636	1.4
198.03320	1.0
199.04173	1.1
201.05563	1.4
203.03516	2.1
211.04031	6.1
213.05553	0.9
214.02699	4.2
215.03535	37.5
217.05005	1.1
227.03477	5.4
229.05020	1.8
231.03098	6.8
233.04601	1.8
239.03517	1.6
255.02982	10.1
257.04590	6.5
258.62149	0.9
272.02960	1.1
273.04111	8.3
283.02518	10.8
297.13382	1.9
299.01886	1.3
300.02408	1.8
301.03586	100.0
302.03662	2.1
337.09387	1.5
475.14774	6.3
501.12817	6.0
554.82544	1.0
627.15204	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	625.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14769	0.7
55.80611	0.7
57.03455	1.4
57.63852	0.8
59.01389	16.3
61.98864	0.9
71.01385	5.9
73.02956	0.8
87.00886	1.1
88.98835	3.3
89.02456	1.7
89.19239	0.8
89.42853	0.8
96.96016	3.8
99.71523	0.7
101.02429	1.8
110.62762	0.9
123.00926	1.0
124.01602	0.9
125.02439	1.2
126.37424	0.8
133.08122	0.8
137.02539	1.0
138.03224	1.1
139.03983	1.2
140.20934	0.8
153.05527	1.2
171.84325	0.9
180.10345	0.8
180.36995	0.8
203.07227	1.0
221.19206	1.5
281.08267	0.9
283.42096	0.9
294.05252	6.1
297.07672	1.0
301.20300	1.1
310.04828	0.9
325.07303	18.6
340.09583	84.6
344.60507	1.1
355.11942	89.5
370.14279	63.8
373.12839	1.7
385.16623	61.7
388.15427	1.4
403.17715	100.0
463.25473	9.3
472.27145	1.1
625.30963	1.9
626.33478	1.0
639.85400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59623	0.2
52.27955	0.2
55.01888	0.4
57.03429	0.4
59.01383	20.1
64.46156	0.2
68.60924	0.3
71.01399	1.7
73.02945	0.6
83.01396	0.6
83.05029	0.3
85.02977	1.5
89.02415	0.3
94.05531	0.3
96.96017	0.6
99.00880	0.6
101.02457	1.1
109.02962	0.4
111.00894	1.7
112.75287	0.3
113.02447	0.7
121.02964	0.4
123.00891	1.3
124.01666	1.9
125.02445	1.6
127.00404	0.7
135.04536	0.6
136.98843	0.6
137.02467	1.2
138.03236	0.7
139.00385	5.6
139.04016	1.7
145.06618	0.4
149.02492	0.7
150.03261	0.6
150.99144	0.6
151.00375	16.0
151.04018	1.4
152.01161	6.8
153.01962	1.3
153.05508	0.4
154.02728	1.2
159.02872	0.3
159.04460	0.3
160.05278	0.3
160.91585	0.3
161.04590	0.3
163.04012	0.7
163.07703	1.7
164.04782	1.9
165.01933	0.4
166.02713	52.5
167.03511	7.5
173.06087	1.4
175.04027	1.5
175.07687	0.4
176.04834	0.6
177.05600	0.4
178.06389	0.7
179.03505	0.6
179.07144	2.6
180.04283	3.3
181.05072	57.5
189.05595	1.4
190.06374	11.4
191.07144	8.2
192.07866	0.6
193.05147	0.5
193.08710	1.2
194.05832	1.2
195.06650	3.4
201.05533	0.4
201.23988	0.3
205.08740	6.0
206.09488	4.0
208.07434	0.6
209.11925	0.4
214.79721	0.3
218.05925	0.4
221.08260	1.3
221.11917	0.5
233.08240	0.6
269.17615	0.4
303.78693	0.3
325.07266	0.5
340.09534	1.1
345.13315	0.4
355.12000	3.1
370.14206	2.8
373.13022	6.3
385.16473	1.3
388.15411	8.5
394.66733	0.3
403.17661	100.0
404.17987	1.4
433.28192	1.5
565.32373	0.5
625.38312	0.5
641.30652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14769	0.7
55.80611	0.7
57.03455	1.4
57.63852	0.8
59.01389	16.3
61.98864	0.9
71.01385	5.9
73.02956	0.8
87.00886	1.1
88.98835	3.3
89.02456	1.7
89.19239	0.8
89.42853	0.8
96.96016	3.8
99.71523	0.7
101.02429	1.8
110.62762	0.9
123.00926	1.0
124.01602	0.9
125.02439	1.2
126.37424	0.8
133.08122	0.8
137.02539	1.0
138.03224	1.1
139.03983	1.2
140.20934	0.8
153.05527	1.2
171.84325	0.9
180.10345	0.8
180.36995	0.8
203.07227	1.0
221.19206	1.5
281.08267	0.9
283.42096	0.9
294.05252	6.1
297.07672	1.0
301.20300	1.1
310.04828	0.9
325.07303	18.6
340.09583	84.6
344.60507	1.1
355.11942	89.5
370.14279	63.8
373.12839	1.7
385.16623	61.7
388.15427	1.4
403.17715	100.0
463.25473	9.3
472.27145	1.1
625.30963	1.9
626.33478	1.0
639.85400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06180	0.2
57.35128	0.2
59.01374	0.3
62.21959	0.2
63.02418	0.3
65.00330	0.5
71.79125	0.2
77.40603	0.2
81.90472	0.2
83.01376	0.4
85.02956	0.9
93.03493	0.2
94.51584	0.2
107.01376	2.0
109.02937	0.9
119.58587	0.2
123.00969	0.3
124.01655	4.2
125.02453	0.4
127.03968	0.5
134.99844	0.2
135.00911	1.2
136.01692	0.5
136.02660	0.2
137.02457	2.7
139.81322	0.3
148.01613	0.3
151.00369	9.2
152.01181	2.0
159.04514	0.2
161.02406	0.3
163.00368	2.3
164.01158	2.9
165.01915	0.4
169.01433	0.4
173.04523	0.3
178.99854	8.6
183.20093	0.3
187.04099	0.3
188.04784	0.5
191.05611	11.3
199.04082	0.5
203.03561	1.5
204.04440	1.0
214.02739	10.3
215.03465	0.5
225.83659	0.2
227.03571	1.5
232.03925	0.3
242.02226	8.0
243.02986	5.0
244.03635	0.3
255.02959	0.3
259.02512	8.5
265.50009	0.2
270.01733	9.1
271.02515	50.8
272.02975	0.4
287.02002	29.1
288.02634	1.9
299.02023	1.1
315.01538	0.3
316.02280	100.0
317.03018	12.1
326.81577	0.2
329.02856	0.3
337.09320	1.8
410.93805	0.2
625.14191	62.8
626.14679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63116	0.3
56.82658	0.3
57.03487	0.5
57.86224	0.3
59.01382	4.3
65.00030	0.4
65.00344	1.3
67.95645	0.3
68.99853	1.6
70.18982	0.3
71.01419	2.5
73.02966	1.1
76.65433	0.3
83.01435	0.7
85.02993	0.7
87.00909	0.8
89.02467	1.4
95.01440	0.4
96.96053	1.5
101.02481	1.8
107.01456	2.3
110.00154	1.8
111.00910	0.4
113.02515	0.5
121.02995	0.9
123.04552	1.6
125.02474	0.8
131.03540	0.4
131.04993	0.5
133.02896	0.5
134.03775	0.9
137.02480	1.8
137.99576	0.9
139.00421	2.3
145.02873	0.4
149.02484	1.8
149.06007	0.4
151.00391	8.0
151.04086	0.7
155.05075	0.4
159.04527	0.8
161.02512	2.4
164.01199	3.2
165.02007	0.6
165.99060	3.3
166.99953	0.5
171.04547	0.7
175.03999	0.7
178.02715	0.7
178.99863	0.6
183.04530	2.2
185.02455	1.8
187.03922	1.2
189.01979	0.7
191.05664	0.7
192.99504	0.3
198.03189	0.4
199.04025	5.2
201.01952	12.7
201.03734	0.6
203.03539	7.3
215.03584	0.8
227.03548	7.3
229.01447	0.9
231.02997	7.6
237.04036	0.5
243.03099	5.9
243.12401	0.6
255.03058	4.5
256.03885	0.4
270.01712	0.6
271.02521	100.0
272.02856	1.0
287.02087	1.7
288.02695	0.5
297.00409	0.4
298.01086	0.5
299.02008	97.1
300.02512	0.7
301.03610	1.5
316.02304	9.0
317.03113	4.1
357.74792	0.5
457.99023	0.5
607.12646	0.9
625.14081	10.0
625.25415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33570	0.4
50.97775	0.3
52.15747	0.4
56.33653	0.3
57.07287	0.3
57.51027	0.3
59.01398	2.2
65.00346	0.6
69.35201	0.3
70.49662	0.4
71.01405	1.0
79.05519	0.4
79.25552	0.4
79.97613	0.4
83.01422	0.5
85.02988	0.4
87.00880	0.5
89.02455	0.8
92.10823	0.7
92.66257	0.4
96.96014	1.9
101.02425	0.6
101.45303	0.4
107.01413	2.1
109.02961	0.8
117.03480	0.9
117.77292	0.4
119.05032	0.7
121.02943	0.8
125.02488	0.7
133.02957	0.6
145.02948	3.0
148.04070	0.4
150.05634	1.5
151.00398	9.0
159.04495	0.5
161.02461	0.8
161.04832	0.8
163.00406	0.7
171.04535	0.6
175.00392	0.7
175.04062	0.7
178.99902	1.5
187.03925	0.6
191.05626	0.7
199.03990	4.3
201.02013	1.6
203.03546	0.6
207.05431	2.9
215.03552	2.6
226.02649	0.6
227.03519	4.0
243.03017	8.0
255.03047	2.6
271.02527	71.4
272.03043	0.8
299.02014	100.0
300.02771	10.8
301.03589	40.3
326.63516	0.4
343.04602	1.7
405.40045	0.5
462.08090	15.6
463.08896	18.7
505.10077	0.7
535.19659	2.1
625.14209	49.8
638.62988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.1
55.91904	0.4
57.03460	3.0
58.00605	1.7
59.01384	29.2
59.27403	0.3
61.98829	0.4
71.01378	26.8
72.99317	1.9
73.02943	12.0
73.96419	0.3
75.00883	1.5
78.95913	0.4
80.50412	0.4
83.01391	7.8
84.10919	0.4
85.02953	16.6
86.00123	1.3
87.00886	0.9
88.98790	0.7
89.02445	7.9
93.03436	0.5
95.01385	2.3
96.96003	1.7
99.00880	3.9
101.02440	27.0
111.00875	0.6
113.02449	11.8
113.82436	0.4
116.92843	0.7
119.03529	2.9
125.02451	0.8
129.01985	0.5
132.06354	0.4
136.05309	0.4
137.02475	0.7
143.03503	0.5
159.02983	0.6
161.04544	2.9
171.10268	0.7
179.05571	0.7
239.16492	0.5
269.17493	0.6
277.41479	0.4
281.14026	0.5
401.21783	100.0
402.22000	1.9
425.21701	0.9
430.10184	0.4
623.17969	0.4
623.35895	2.6
626.89648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93702	0.2
54.82850	0.3
54.89877	0.2
57.45824	0.2
59.01381	0.3
63.79267	0.2
65.00335	1.7
65.71554	0.2
66.78458	0.2
72.80215	0.2
72.97044	0.3
85.42204	0.2
90.94827	0.3
91.01862	0.2
96.54178	0.2
97.02943	1.4
107.01408	1.1
108.02169	0.4
109.02940	0.5
115.07648	0.5
116.36104	0.3
121.02950	2.2
133.02954	0.4
133.06241	0.2
139.04008	0.4
147.00858	0.3
148.01665	0.6
149.02446	1.5
151.00330	4.5
155.05069	0.4
156.67982	0.3
157.02901	0.3
159.06618	1.0
161.02408	0.3
163.00381	1.1
163.04007	0.4
164.01132	1.1
165.01901	7.8
166.68977	0.3
171.04491	1.3
183.03000	0.4
183.04472	0.5
187.03984	0.5
191.03452	0.5
193.01428	4.4
198.03111	0.3
199.04001	7.3
200.04726	0.5
201.01924	1.3
203.03490	1.6
211.13693	0.3
215.03464	2.0
216.04242	1.0
225.01979	0.3
226.02637	1.4
227.03490	7.2
228.04276	1.0
229.01347	1.0
239.03525	0.4
240.04240	0.4
242.02171	5.1
243.02966	15.7
244.03642	1.1
248.80206	0.3
254.02103	1.8
255.03011	5.8
256.03738	3.3
257.04562	7.3
259.03607	0.3
259.05942	2.3
268.03745	0.3
269.04544	2.7
270.01602	1.9
271.02475	100.0
272.03198	11.1
281.69101	0.3
285.04007	8.0
286.04810	4.0
287.05597	3.0
297.04080	0.3
299.01978	6.4
300.02673	1.4
313.03214	0.3
314.04324	40.7
315.05109	19.8
318.66107	0.2
339.83292	0.3
497.72906	0.2
561.93176	0.3
623.16174	67.3
624.16467	1.7
636.11798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
57.03463	4.3
58.00611	0.6
59.01387	24.6
59.06254	0.6
60.90244	0.6
65.04065	0.6
65.27115	0.7
65.70953	0.6
69.03454	1.3
71.01385	20.4
72.99303	1.4
73.02944	6.3
83.01402	4.1
85.02959	9.4
87.00894	4.1
89.02453	9.4
93.29440	0.6
95.01402	1.0
97.02958	0.9
99.00900	2.7
101.02455	11.5
111.04578	0.8
111.08158	0.8
113.02462	4.7
119.03512	1.4
121.06506	0.9
123.08212	0.8
125.02475	1.1
125.09730	0.7
131.03481	1.0
137.09666	0.7
157.08644	1.1
161.04552	1.4
163.11320	0.7
165.05556	0.7
165.12807	1.4
192.11571	1.1
207.14008	0.9
219.17540	3.2
237.18620	5.4
251.12976	4.9
253.10742	1.3
253.14537	1.4
255.19640	8.7
263.16559	2.9
281.17636	7.0
299.18652	21.1
313.20233	1.5
383.24417	1.4
393.34796	0.6
443.22916	2.9
461.24026	17.6
591.82007	0.8
623.29291	100.0
624.29651	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.7
83.86025	0.2
87.18035	0.2
93.03468	0.4
96.96022	0.3
97.02969	1.1
107.01417	1.0
109.02958	0.4
114.38932	0.2
115.07693	0.4
121.02953	3.0
123.04581	0.2
124.01693	0.2
133.03024	0.4
135.00845	0.3
135.04669	0.3
139.03986	0.4
141.19060	0.2
147.00900	0.3
148.01698	1.2
149.02444	1.7
149.99666	0.3
151.00360	5.1
157.02954	0.4
159.06662	1.2
163.00397	0.5
163.03987	0.4
164.01166	0.5
165.01933	7.8
171.04517	1.4
175.04019	0.5
177.01958	0.4
183.04517	1.2
185.02538	0.3
187.04059	0.5
191.03473	0.3
193.01430	4.4
198.03221	0.5
199.04036	7.6
200.04803	0.3
201.01990	0.4
203.03497	1.0
215.03543	2.1
216.04262	1.0
225.02055	0.3
226.02728	1.3
227.03513	7.3
228.04271	1.2
229.01465	0.5
229.04909	0.3
239.03639	0.4
242.02217	4.8
243.02986	14.7
244.03754	1.0
254.02232	1.0
255.02994	5.4
256.03778	2.6
257.04626	5.8
259.06107	2.5
269.04651	2.5
270.01715	1.3
271.02509	100.0
272.03250	10.0
285.04041	7.9
286.04825	4.2
287.05618	2.4
297.04077	0.3
299.02023	6.7
300.02713	1.3
314.04376	38.6
315.05154	20.1
426.34515	0.3
623.16278	56.2
624.16125	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98823	1.7
63.51852	1.3
68.94852	1.3
83.74807	1.5
107.94077	1.6
116.92844	13.7
144.17400	1.5
196.51447	1.5
209.11952	16.5
249.40623	1.4
251.88185	1.5
277.21790	15.4
395.90729	1.7
426.01260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1619
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.66302	1.0
59.01374	19.3
60.11726	1.2
71.01385	7.4
71.03271	1.0
77.52016	1.0
80.23743	1.2
83.01390	1.7
85.02949	5.1
85.60116	1.0
87.00867	1.4
89.02437	5.1
95.01372	1.3
96.95999	7.1
101.02454	5.5
109.02924	1.3
113.02464	2.4
120.59184	1.1
123.04469	1.1
125.02428	1.8
151.00320	6.1
163.00246	1.9
180.07993	1.6
195.06516	1.5
199.03970	9.4
203.03476	1.9
215.03484	5.9
227.03442	7.8
242.02161	4.4
243.00652	2.3
243.02966	41.6
244.03618	1.8
254.01952	1.5
255.02986	21.1
257.04581	6.4
269.04559	5.5
270.01669	4.5
271.02490	76.0
272.03174	2.9
277.01990	1.2
285.04062	6.0
286.04657	1.5
287.05716	4.7
299.01968	58.5
300.02731	51.9
314.04321	45.3
315.05124	100.0
316.05444	1.5
372.16742	1.2
436.07059	1.5
443.22775	12.8
598.26355	1.5
623.16211	82.1
623.28748	10.9
628.39032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01387	2.6
60.99318	1.0
67.01900	5.5
69.03478	1.1
69.21748	0.2
71.01390	3.5
72.99328	0.3
73.02930	0.3
78.94735	0.2
81.03480	1.0
83.05051	1.3
85.02996	1.4
87.00880	1.6
89.02457	0.2
91.95102	0.2
93.03465	33.9
96.96019	1.8
99.00885	0.2
99.04548	0.5
109.02990	1.2
111.00914	0.8
111.04537	7.5
113.02447	1.1
119.05031	17.9
121.38580	0.2
127.04025	0.7
137.02448	5.2
145.03030	0.2
155.03522	5.1
155.04739	0.4
163.04019	20.0
173.04564	100.0
174.04901	0.3
189.37242	0.2
191.04256	0.3
191.05627	17.6
337.09354	25.3
388.85025	0.2
584.21545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59679	1.5
55.01892	3.0
57.03462	12.8
59.01394	36.5
63.80474	1.5
69.03477	2.7
71.01384	19.9
72.99332	9.3
73.02965	3.2
81.03488	6.8
83.01395	32.8
83.05027	3.3
85.02975	2.9
89.02445	32.0
91.05548	1.8
93.03479	2.2
95.01419	1.5
95.05032	8.2
96.96039	1.7
97.02949	25.9
99.00898	3.5
99.04556	2.6
101.02451	24.3
107.05053	3.5
109.02986	1.8
111.00917	2.3
111.73954	1.8
115.04002	3.1
119.03459	1.8
121.06599	1.9
122.45918	1.6
125.02467	10.8
125.99611	2.7
127.00380	7.4
131.03511	17.9
133.06607	2.8
135.04601	3.3
139.04047	3.0
141.01962	7.5
145.01434	2.5
147.04523	2.9
149.04585	18.3
149.05969	11.0
150.19026	1.5
151.07631	3.1
163.04036	2.9
163.07654	7.2
169.01440	19.4
175.11346	3.6
177.05566	3.9
179.03494	1.9
185.09732	2.9
187.02440	2.6
189.05531	2.1
191.05672	25.1
203.10802	7.3
205.08766	2.5
221.11914	2.6
223.09715	2.2
229.08664	3.4
239.05647	14.6
247.09766	8.8
265.10837	7.3
291.08774	24.5
309.10004	14.0
311.09961	3.8
327.10925	100.0
369.12003	18.5
418.44098	1.7
596.79980	2.2
621.20264	9.4
640.18762	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54249	0.8
54.57267	0.8
59.01381	2.6
59.09790	0.9
61.46025	0.9
61.98843	1.7
66.85754	1.0
68.99571	0.9
92.99249	1.0
96.96002	1.6
109.45303	1.0
116.92893	1.2
141.87062	1.2
270.42938	1.2
312.45355	1.0
376.60223	1.1
404.54428	1.2
415.15640	4.7
416.16327	16.9
430.17764	1.6
434.18237	1.3
459.18359	100.0
473.19989	19.6
474.20444	5.9
485.16385	1.9
501.19608	1.7
503.17456	2.5
518.19604	38.7
532.21460	5.1
533.22009	54.8
583.12598	1.2
587.23077	6.7
619.09894	4.6
619.25684	53.1
620.25433	1.2
628.45190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76679	0.6
58.02978	9.5
59.01390	16.2
62.55970	0.7
71.01392	7.9
72.00928	0.7
72.99309	1.3
74.02473	15.9
78.97256	0.5
85.02953	1.3
86.02483	8.2
86.06094	1.0
87.05644	4.3
89.02442	8.8
92.10168	0.8
96.95959	0.7
97.04068	3.0
99.05641	16.6
101.02447	4.2
101.07211	3.0
102.05568	1.4
107.06122	0.8
109.04067	2.8
111.05707	0.7
112.04058	2.8
113.02444	3.4
115.07666	1.1
116.86561	0.8
119.03481	1.6
123.05614	0.9
124.04047	1.0
125.03553	0.8
128.03542	47.1
129.05565	0.9
132.35756	0.7
134.03738	0.7
135.05672	4.8
139.02246	3.5
141.06697	1.6
142.41551	0.7
143.04640	74.0
145.06190	2.9
146.04634	5.1
153.06712	1.3
155.08305	1.1
157.42157	0.7
166.09874	1.4
167.01750	24.4
167.04671	3.0
167.08273	0.9
174.93048	0.7
179.04652	13.2
181.06172	1.2
184.00134	0.8
184.10947	0.7
185.05699	1.1
199.07303	0.8
205.07181	1.7
210.08879	13.2
213.93309	0.7
254.07864	14.1
272.08923	100.0
311.71036	0.8
324.30807	0.9
346.84564	0.8
347.08139	39.2
620.17773	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	619.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.7
57.03460	7.7
59.01389	26.7
64.00760	1.4
68.27688	1.7
71.01067	2.1
71.01379	16.1
72.99316	4.2
73.02979	7.9
81.03475	12.4
83.01397	48.2
85.02975	9.2
87.00816	2.2
87.04552	2.3
89.02450	21.7
96.96038	3.9
97.02940	22.2
99.00888	16.8
101.02441	39.3
107.05101	1.7
109.02950	14.7
109.06580	2.3
111.04540	3.7
113.02440	4.4
113.95500	2.5
119.05039	2.9
121.02961	2.3
121.06622	3.1
122.03738	2.7
123.04522	13.4
125.02462	17.3
127.00380	25.8
131.03516	22.8
133.06631	2.2
135.04521	4.3
137.02469	2.9
139.04088	2.8
141.01970	4.5
143.03474	2.2
145.01477	9.6
149.04558	4.6
149.06140	4.2
149.09770	2.5
151.03973	2.5
157.55396	1.9
158.07405	2.8
159.08115	2.1
161.06136	4.4
162.56746	1.9
163.07674	3.4
167.07155	37.1
169.01440	19.0
173.09749	46.0
174.03474	2.4
175.04008	2.5
175.07635	2.2
176.04817	2.8
177.05597	10.5
179.07184	4.1
187.02541	18.0
188.24559	2.0
191.05598	11.1
191.07219	11.2
191.10840	14.7
197.08244	12.0
201.09245	4.1
203.07092	2.8
217.08664	2.4
219.10324	10.6
220.03931	2.2
235.06184	8.3
245.08180	7.2
263.05505	2.6
263.09259	16.0
289.07153	10.2
307.08289	56.4
325.09357	100.0
349.09378	8.3
350.70627	1.9
367.10349	17.8
439.10913	25.6
564.08704	2.0
601.18024	11.5
619.18994	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	619.2566
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.15900	0.4
56.15744	0.5
58.30804	0.4
59.01383	1.0
62.84795	0.5
68.86128	0.5
71.41571	0.4
73.07803	0.5
82.67090	0.6
90.38530	0.5
130.45622	0.5
170.35289	0.7
204.56178	0.5
384.00143	0.6
389.15244	0.9
401.14026	3.3
415.15707	4.6
416.16489	13.8
429.17352	2.3
430.17920	3.6
431.18784	1.0
434.17520	0.7
444.15820	0.8
457.16623	0.8
459.18356	100.0
460.18686	3.1
473.19894	15.5
474.20450	4.2
501.19354	2.3
503.17316	3.7
517.18964	0.8
518.19623	37.3
519.19666	1.3
532.21210	6.1
533.22052	63.3
534.22083	1.3
537.66150	0.6
575.97321	0.6
587.22949	5.5
619.25739	58.3
620.26147	2.3
641.69177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.2
59.01387	3.2
63.02413	1.1
65.00325	16.5
69.47610	0.7
69.74725	0.8
81.99478	0.7
83.01389	7.7
95.01388	0.7
96.95980	1.2
103.41449	0.7
107.01398	26.2
111.10989	0.8
123.04528	8.7
124.01675	3.1
125.02451	18.4
133.02933	5.6
135.04544	1.6
139.04004	1.0
149.02448	3.1
150.03241	20.4
151.00381	100.0
151.04022	22.5
152.01181	21.4
153.01967	1.3
169.01385	1.6
175.04018	4.4
176.01135	1.0
177.01941	3.9
178.99878	15.4
187.04018	1.0
199.03984	4.7
213.05475	1.3
215.83133	0.9
217.05035	3.0
241.05084	1.6
257.04486	0.8
285.04095	53.6
303.05133	14.8
309.06290	1.8
341.38193	0.8
404.43509	0.8
435.09412	56.3
465.13828	0.9
569.79523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83890	1.0
50.88127	0.9
52.49023	0.9
57.03456	8.1
59.01385	8.4
60.68816	1.2
71.01385	9.1
79.01852	1.0
81.03453	2.9
83.01408	7.7
85.02974	2.9
89.02435	2.4
92.10767	1.6
93.03439	11.4
95.01375	2.4
95.05016	2.2
96.96008	6.7
97.02937	5.0
101.02447	6.5
107.05033	6.2
109.02963	21.0
111.04575	2.6
113.02427	2.3
121.02946	2.9
122.11810	1.2
123.00855	6.2
123.04551	5.2
124.01651	1.8
125.02440	100.0
135.04503	1.7
137.02449	40.8
139.04012	22.1
147.08214	1.7
149.02463	5.3
149.06102	1.7
151.04019	16.1
153.01945	14.8
161.02411	2.8
161.04506	1.6
163.99802	1.3
164.01122	9.0
165.01939	25.2
167.03516	22.8
175.04073	2.6
177.01956	5.1
177.05580	4.7
179.03490	15.7
189.05487	2.0
193.01399	5.4
203.03510	3.0
204.04305	2.3
219.06633	15.6
221.04620	9.1
261.07727	2.5
275.05740	2.3
285.04175	1.7
303.05109	5.1
305.06699	89.5
313.09344	30.7
319.10355	7.4
547.51318	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	615.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98015	0.1
59.01384	0.2
60.62424	0.1
62.57399	0.1
71.01398	0.1
74.99094	0.2
78.95904	4.1
79.95734	1.8
88.98804	0.3
96.96009	100.0
96.96904	6.3
109.02941	0.1
116.36020	0.1
176.40701	0.1
335.32547	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32932	0.6
54.51422	0.7
54.69482	0.7
55.36407	0.7
57.03468	1.3
57.80928	0.8
59.01389	11.8
63.02418	5.6
65.00346	5.6
65.15360	0.8
68.04537	0.7
68.50938	0.8
71.01395	5.7
78.95922	3.1
79.95718	1.2
81.03494	0.9
83.01406	11.8
85.02997	1.0
88.98788	0.8
89.02462	6.8
95.01391	6.6
96.96013	92.7
96.96988	5.4
101.02447	1.9
102.54144	0.8
104.15031	0.8
107.01397	15.8
108.02156	1.1
108.84722	1.0
109.02961	100.0
111.00884	0.9
119.97795	0.9
121.02964	0.9
123.00850	0.8
124.01694	6.0
125.02443	12.3
133.02957	1.8
135.00876	9.5
137.02448	1.5
141.01807	0.9
143.04979	0.9
147.00981	0.9
151.00371	57.7
152.01160	23.4
153.00703	1.0
153.01945	28.1
159.04593	1.1
161.02444	1.5
163.00383	64.3
163.04071	1.2
164.01167	1.9
169.01433	7.6
171.04611	1.2
175.03975	4.4
178.93376	0.8
178.99869	37.2
179.05759	0.9
181.01582	1.6
181.99588	0.8
183.04512	3.6
183.10333	1.4
185.02493	0.8
187.04042	3.5
188.12207	1.0
189.01909	0.9
190.99881	35.7
192.00244	1.0
199.04007	1.8
201.11377	0.8
203.03578	3.5
206.99371	28.6
208.00174	13.1
211.04044	7.7
213.01857	1.1
217.05103	3.8
227.03560	16.8
231.03020	4.6
243.02788	1.4
245.04480	3.3
255.03015	17.8
258.01755	1.7
271.02652	9.0
273.03955	4.2
299.01981	20.0
300.02289	1.3
301.03577	9.6
311.52728	0.8
317.03061	80.0
317.14185	2.7
326.01636	0.9
397.22491	3.5
491.34671	0.9
559.27753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12679	0.3
53.92410	0.3
57.03460	2.8
59.01408	0.3
66.33711	0.3
68.57067	0.3
69.03484	0.7
72.17077	0.3
72.99323	0.5
81.03458	3.1
83.01381	2.8
84.55627	0.3
87.19659	0.3
93.03432	1.2
95.01388	0.6
95.05010	4.5
96.04113	0.3
97.02953	6.7
99.04476	0.4
108.02165	0.4
109.02960	29.2
119.05024	12.7
121.02937	4.3
122.03750	1.5
123.04525	19.0
125.02444	18.3
135.04527	2.2
137.02452	12.8
138.03238	0.8
139.04022	3.8
145.03000	1.6
146.03746	1.5
149.02441	5.0
150.03241	1.7
151.04021	9.7
157.06625	0.4
159.04556	3.4
160.05312	1.7
161.02490	0.6
161.06111	4.7
162.03246	2.1
163.04024	9.3
164.01189	3.3
165.01945	4.7
166.02711	0.5
167.03537	1.8
173.06087	1.6
175.03989	2.2
175.07642	2.2
177.05586	0.6
179.03534	7.4
184.05339	0.4
185.06081	0.8
187.04022	4.6
188.04823	4.3
199.07532	0.4
201.05579	0.5
201.09253	0.5
202.06419	2.2
203.07175	15.8
205.05087	10.3
217.08388	0.4
221.08223	5.2
227.07202	2.1
230.05882	0.5
240.68866	0.3
245.08197	21.4
247.06102	1.4
271.05975	0.4
287.05576	0.8
289.07220	100.0
290.07593	1.8
325.04898	4.1
325.09256	2.0
467.20459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
62.77061	0.4
71.01398	3.2
73.02962	0.7
81.03445	0.5
83.01390	0.5
85.02966	2.3
89.02454	0.5
93.03466	2.6
95.01411	0.8
96.96011	4.7
101.02450	2.1
101.06069	0.5
108.02185	98.2
109.02970	28.7
121.02956	1.0
121.86496	0.5
123.00883	0.7
123.04491	0.6
124.42585	0.6
125.02454	1.0
133.02992	0.7
137.02402	0.7
151.03983	2.1
152.01167	79.1
153.01959	25.9
163.04034	1.8
165.01898	2.1
175.87932	0.5
191.05673	0.7
257.03452	0.5
315.07272	100.0
316.07703	1.0
335.13589	2.2
357.36478	0.5
418.31046	0.5
577.14026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38560	0.3
57.03469	3.0
59.01381	0.7
64.90529	0.4
67.95100	0.4
69.03454	0.7
81.03454	3.4
83.01393	4.2
85.02882	0.5
89.54987	0.5
93.03461	2.2
95.01389	0.8
95.05016	4.6
96.96043	0.5
97.02957	9.0
99.04527	0.8
107.05061	1.0
108.02190	0.6
109.02961	31.7
117.70120	0.4
119.05027	26.9
121.02941	3.9
122.03732	2.3
123.04527	22.0
125.02455	20.5
135.04552	2.4
137.02467	13.7
138.03244	0.8
139.04054	4.2
145.02965	1.6
146.03699	1.5
147.04518	0.7
149.02469	4.6
149.79356	0.4
150.03252	1.0
151.04016	12.5
157.49010	0.4
159.04582	3.2
160.05336	2.1
161.02515	0.7
161.06102	7.2
162.03221	1.9
163.04031	18.8
164.01154	4.9
165.01956	4.2
166.02655	0.7
167.03534	2.0
173.06084	1.0
174.03236	0.6
175.03983	3.3
175.07661	3.1
177.05530	0.4
179.03500	6.1
181.43379	0.4
185.05977	0.6
187.04027	5.0
188.04837	5.1
190.14807	0.4
195.23621	0.5
199.07674	0.6
201.05605	1.6
202.06381	2.5
203.07176	15.4
205.05087	10.0
217.08771	0.6
221.08237	5.1
227.07166	3.5
230.05940	0.7
231.02968	0.6
245.08228	22.4
247.06288	0.5
271.06253	0.8
287.05618	1.8
289.07236	100.0
290.07462	1.0
298.68332	0.4
325.04865	1.8
325.09363	3.6
337.78558	0.5
464.40445	0.5
512.74896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.0
57.03460	3.6
57.74664	0.7
59.01382	10.1
63.67336	0.6
71.01379	43.3
72.99319	1.0
73.02940	14.4
75.00855	0.8
83.01385	5.9
85.02949	29.4
87.00884	1.4
89.02439	1.5
93.03462	3.8
95.01399	3.3
95.15187	0.7
96.96025	0.8
99.00883	5.2
101.02434	25.8
106.04239	7.6
107.05032	100.0
108.02201	1.3
111.37709	0.6
113.02449	16.0
123.04533	1.8
125.02449	1.7
128.58052	0.8
135.24246	0.8
140.51460	0.9
143.03522	0.7
144.81386	0.8
150.03239	1.1
151.04005	73.6
152.04431	0.8
159.02975	4.3
161.04565	19.8
168.49634	0.7
269.10187	0.9
313.09305	27.1
349.62161	0.8
371.04465	0.9
379.32440	1.0
396.56766	0.8
641.57758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03524	0.1
57.69363	0.1
59.01399	0.2
77.55471	0.2
87.61590	0.2
99.31585	0.2
116.92861	0.2
152.17241	0.2
193.50089	0.1
224.05913	0.2
232.86584	0.2
243.43709	0.2
255.23328	100.0
256.23743	1.5
353.21359	0.2
444.51349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58707	0.1
55.01893	2.0
57.03451	1.0
59.01384	3.7
61.98844	0.3
62.18430	0.1
63.02388	1.2
65.00323	0.3
69.03471	0.7
69.12324	0.1
71.01383	0.4
71.05031	0.4
73.02934	0.1
81.03468	0.2
83.05038	1.9
87.04511	0.2
89.02460	0.2
93.03421	0.2
95.05033	0.2
96.96024	0.3
97.02956	0.2
107.01380	1.1
109.06489	0.1
111.08172	8.4
114.98805	0.1
117.03485	2.4
121.02909	0.2
125.02444	0.2
125.06101	1.4
135.04555	0.3
139.07687	0.3
139.11298	0.6
145.41121	0.2
149.02467	1.0
149.06110	0.4
151.00389	0.2
159.04504	1.0
161.02438	1.1
163.11256	0.2
169.06644	0.4
181.06558	0.4
181.12349	1.8
183.04526	0.6
183.10252	3.5
185.11850	0.3
196.05342	0.3
197.06088	0.6
201.05553	0.4
201.11334	0.6
209.08258	0.3
215.12813	0.2
225.05576	1.4
225.11446	0.3
227.03577	0.3
243.12395	4.0
268.03781	3.3
269.04584	100.0
270.04907	1.2
293.04602	0.7
371.13562	0.2
391.27072	2.6
451.13919	0.2
577.15729	15.0
619.89648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.1
59.01394	7.1
70.82967	1.0
71.01376	2.3
84.52385	1.0
93.03450	2.2
96.96033	4.9
101.02439	1.0
108.02164	10.7
109.02973	5.2
117.03459	4.6
117.15356	1.0
119.05049	1.6
121.02969	6.9
121.19709	1.1
122.03740	34.5
123.00977	1.0
123.04513	15.0
124.01654	2.3
125.02459	4.1
133.02966	1.5
135.04501	1.1
136.01654	8.8
137.02475	5.1
137.06108	2.6
139.03949	1.1
139.70853	1.3
140.34047	1.1
145.02959	20.0
146.03752	4.4
147.04553	8.2
148.01697	1.6
148.05283	2.1
149.02469	7.0
151.03998	17.9
153.05563	1.4
154.02707	5.7
161.02432	23.4
162.03221	29.5
163.03983	9.4
164.04803	5.0
165.05545	2.4
175.04062	2.1
176.04819	5.8
177.05577	10.4
178.02702	2.0
178.99966	1.2
179.03546	1.7
180.04247	13.3
181.05110	1.6
191.05641	12.0
191.07153	3.4
192.04327	9.1
193.05093	1.8
194.31548	1.0
195.06644	69.9
205.05000	2.6
207.06650	18.4
219.06596	1.7
223.06143	18.8
235.06226	2.3
328.09747	1.3
343.11981	13.8
344.75378	1.2
357.12134	1.5
361.12927	1.7
373.13058	1.9
391.14047	100.0
436.93942	1.2
633.50195	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	611.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71801	62.6
57.74758	66.3
74.86789	63.4
144.48343	75.5
197.86551	74.4
222.30188	63.4
264.18259	70.1
310.17685	69.3
363.55960	79.0
398.97516	78.0
434.38959	97.3
527.04407	100.0
527.18713	80.4
621.02679	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	613.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71110	0.1
55.01898	2.3
57.03463	0.8
59.01394	4.0
61.98839	0.2
63.02416	0.9
64.00385	0.1
65.00340	0.4
69.03467	0.9
71.01399	0.3
71.05028	0.9
73.02959	0.2
83.05029	1.3
85.02975	0.2
85.18636	0.2
89.02424	0.2
92.65490	0.2
93.03445	0.2
95.05001	0.2
96.96005	0.2
97.06588	0.2
101.02405	0.2
107.01409	0.8
109.03020	0.2
109.06616	0.2
111.08164	10.9
111.64205	0.2
112.62563	0.2
113.02411	0.2
117.03469	2.7
125.06092	1.4
139.11304	0.3
146.04050	0.2
149.02454	1.0
149.06090	0.3
151.00383	0.9
159.04483	1.3
161.02446	0.7
169.06586	0.3
181.06580	0.2
181.08714	0.3
181.12367	1.3
183.04544	0.4
183.10280	3.4
185.11816	0.2
196.05324	0.2
197.06096	0.8
201.05568	0.3
203.03690	0.2
212.77567	0.2
215.12878	0.3
224.04675	0.3
225.05539	1.1
225.11227	0.3
227.03535	0.3
240.04453	0.2
243.12381	3.6
268.03799	3.5
269.04572	100.0
270.04837	1.0
293.04593	0.8
311.05838	0.3
314.52795	0.2
355.57938	0.2
371.13409	0.6
373.13004	0.2
382.30090	0.2
391.26990	2.7
577.15735	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	611.3806
Annotation	Heloside B
Peak:m/z	Relative Intensity
55.01883	2.2
55.76152	1.1
57.03455	5.6
59.01383	47.4
61.98828	4.8
71.01381	23.2
72.99307	1.7
73.02957	8.8
78.95900	1.6
83.01382	5.2
83.05040	5.4
85.02953	14.7
87.00878	1.9
88.98789	1.5
89.02443	5.5
95.01408	1.9
95.04988	1.7
96.96016	13.3
97.06572	1.0
99.00902	1.4
101.02440	15.7
103.95889	1.0
107.05011	7.9
109.06558	1.3
111.00892	1.5
112.13398	1.1
113.02463	6.6
116.92851	4.4
122.03722	6.5
123.08140	1.5
135.04520	68.7
137.06061	1.6
148.05270	4.0
151.07605	1.7
207.14146	1.4
251.16591	1.4
265.14502	1.4
283.15591	1.9
434.30771	1.4
449.32742	30.0
504.77689	1.2
611.38104	100.0
612.38470	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	611.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74493	0.7
59.01395	1.1
65.09104	0.8
70.20813	0.7
72.84331	0.7
72.99308	23.9
72.99682	1.3
73.02936	1.4
81.07120	1.8
92.77858	0.8
96.96004	7.8
99.08147	7.8
102.02581	0.8
107.69017	0.8
112.34090	0.9
113.06091	5.9
115.07650	74.8
116.05076	1.4
125.02454	3.2
125.06100	1.0
129.05585	44.4
136.93649	0.8
136.94887	0.8
139.03967	0.9
142.06612	1.0
143.07147	24.6
159.06628	1.9
203.08327	3.2
204.08722	1.2
205.07199	100.0
206.27022	1.0
233.67142	0.8
289.07300	1.1
307.08218	1.4
331.74048	0.9
462.21008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59444	0.3
52.76365	0.4
59.01376	100.0
71.01400	0.4
72.36594	0.4
89.02464	0.6
93.18848	0.4
100.19207	0.4
135.37975	0.4
160.01659	0.6
186.65137	0.4
242.09409	0.7
257.11755	0.5
270.08917	2.1
285.11246	0.8
286.08441	0.5
299.09152	0.8
301.10892	0.5
313.10391	0.4
314.07941	1.9
325.10809	0.5
326.07986	0.9
329.10345	5.0
341.10373	5.7
344.12650	8.6
356.12732	2.5
359.15021	19.7
371.14987	13.3
422.14426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01383	52.0
63.02406	1.2
65.00327	28.7
71.01377	18.1
73.02946	2.1
83.01379	12.2
85.02966	5.8
85.59544	1.0
89.02431	18.3
95.01387	2.2
99.04506	15.3
101.02465	10.3
102.08401	0.9
107.01393	36.4
109.02988	1.8
113.02472	8.9
119.03503	5.2
121.02895	1.0
123.04511	15.7
124.01641	1.5
125.02445	10.1
133.02969	9.0
135.04558	8.5
149.02493	2.3
150.03255	10.4
151.00377	100.0
151.04021	30.5
152.01208	8.3
160.28259	0.9
165.12871	1.0
165.85233	0.8
169.01401	1.6
173.29155	1.0
175.04001	4.5
176.01085	2.1
177.01923	3.9
178.99828	9.0
187.04100	1.5
189.12823	1.9
198.03210	1.5
199.03990	6.2
207.13919	25.7
209.11879	8.8
213.05553	2.0
215.03516	1.7
215.41132	1.0
217.05125	1.8
239.03404	1.2
241.05020	3.9
251.12894	30.1
257.04578	4.9
269.13965	17.2
285.04062	82.7
286.04337	1.8
303.04938	1.0
311.14987	1.1
431.19275	31.8
449.20422	17.0
459.15012	4.8
485.13049	3.7
611.16211	21.5
611.25720	31.8
612.16852	1.3
612.25958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89719	0.8
55.89460	0.7
57.03452	1.3
59.01377	20.1
60.99312	7.9
61.98846	1.0
64.97818	0.8
71.01059	0.7
71.01359	7.4
72.99291	1.1
73.02938	2.1
85.02937	2.1
87.00863	11.6
88.11401	0.8
88.98785	38.0
89.02421	6.4
90.91574	0.8
93.03414	0.8
99.04512	1.2
101.02427	2.0
108.99683	0.9
109.02933	44.9
113.02424	1.2
116.92799	0.8
116.98605	1.0
119.08669	1.1
121.02922	6.8
121.06504	0.9
122.03756	7.7
123.04499	41.3
131.03413	1.7
132.94608	0.8
135.04520	6.4
137.02400	1.7
139.99376	1.5
143.04996	1.7
146.03722	1.2
149.04497	1.1
149.05981	1.1
153.00156	6.5
154.00929	16.5
159.04459	1.0
160.05238	1.5
161.06067	51.4
161.07402	1.8
163.04004	4.5
163.07613	3.7
167.01620	1.4
171.10252	1.3
173.06050	11.6
181.03238	2.2
181.08664	1.4
185.08247	1.5
185.99945	3.5
189.05528	15.8
189.48706	1.0
190.06348	28.2
191.07123	52.8
197.11806	5.4
203.07135	12.2
223.04329	5.2
241.10796	10.3
249.06154	17.1
313.10840	66.1
314.11469	6.4
315.12259	1.4
346.08630	5.5
361.11179	100.0
387.12585	1.7
431.11520	1.6
574.22668	1.1
596.94757	1.1
611.17297	3.5
611.26581	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	611.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	1.1
59.01386	46.1
71.01385	22.8
72.99322	1.2
73.02939	1.2
76.01112	0.8
83.01402	1.4
85.02946	7.1
89.02448	34.4
95.01403	3.8
96.96008	26.6
97.96014	1.0
98.95618	10.9
98.96421	1.3
99.00893	1.0
101.02440	18.3
108.02189	51.3
109.02965	19.4
110.10298	0.9
113.02473	11.9
115.04028	1.0
119.03513	14.0
123.00874	1.0
123.04532	1.4
125.02468	1.9
131.03511	0.9
137.02484	1.3
137.76527	0.9
139.04034	7.2
151.04021	3.7
151.99954	1.5
152.01183	45.2
153.01973	18.3
161.04524	1.1
166.21245	0.8
169.05089	7.8
177.02034	1.1
196.62245	0.9
295.10385	100.0
307.07117	0.9
315.07263	53.3
331.10410	4.2
425.07858	1.1
484.09546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.0
58.00592	12.6
59.01385	46.0
64.34760	0.9
69.23012	0.7
71.01384	14.3
73.02975	1.0
73.55262	0.8
83.01404	1.8
85.02969	3.4
89.02450	11.5
95.01410	0.8
96.96054	1.0
97.06684	1.0
99.04520	8.8
99.08165	1.9
101.02431	6.6
104.84484	0.9
109.02978	3.3
109.06664	0.9
109.64751	0.8
113.02412	6.7
117.03448	2.0
119.03511	3.5
119.05010	1.0
121.02972	3.6
122.03728	4.0
123.04523	3.6
125.02450	1.5
133.02953	1.5
134.03722	1.7
136.01688	1.1
137.02448	1.0
137.06068	2.0
145.02975	16.3
145.08719	10.8
146.03769	5.8
147.04520	5.3
148.01666	10.8
149.02467	2.0
149.06145	1.2
150.03214	3.3
151.00432	1.9
151.04005	1.9
153.05595	11.8
154.97739	0.8
161.02458	20.0
162.03239	25.2
163.04030	32.0
164.04776	1.1
165.05553	1.3
165.12894	1.3
177.05583	4.7
178.02748	4.7
179.03539	1.8
179.05685	0.9
180.04335	9.5
181.05090	5.2
191.05582	1.2
193.05067	15.5
194.05855	1.9
195.06651	100.0
197.40401	0.9
207.13864	9.0
209.04686	1.0
209.11868	23.0
211.06194	1.4
225.07854	1.1
225.14963	5.3
251.12910	3.5
269.13980	38.4
285.04031	1.6
307.13995	15.7
347.44186	0.8
389.12515	36.8
389.17355	1.5
431.19205	7.5
436.13632	0.9
449.20349	36.5
611.26007	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	611.1625
Annotation	Taxifolin 3-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
51.69702	0.2
57.03458	1.6
59.01390	1.8
62.48470	0.3
63.02395	2.8
65.00329	22.8
67.49520	0.3
67.93781	0.3
71.01378	0.8
83.01384	12.1
84.00670	0.3
95.01395	1.5
101.02441	0.5
105.03455	0.5
107.01393	36.2
108.99335	0.5
109.02973	1.9
115.04056	0.4
121.02934	0.8
122.03722	0.8
123.04520	15.8
124.01647	2.1
125.02437	10.7
131.03499	0.3
133.02960	8.0
135.04526	9.0
139.00436	0.3
140.66991	0.3
141.07133	0.4
143.05104	0.4
147.04506	0.6
149.02470	2.7
150.03232	7.7
151.00381	100.0
151.04007	29.4
152.01175	7.7
155.05067	0.7
159.04596	0.5
160.99016	0.4
161.02452	0.6
169.01410	1.8
171.04555	0.7
173.06088	0.5
174.03133	0.6
175.03967	4.7
175.71809	0.3
176.01141	1.4
177.01962	2.4
178.99840	6.8
185.06015	1.8
186.19910	0.4
187.03992	1.3
189.05637	0.7
193.05066	0.6
195.04567	0.6
197.06073	1.3
198.03288	0.6
199.04041	7.0
201.01994	0.8
208.95692	0.4
213.05568	2.3
215.03529	2.0
217.05080	2.4
229.05051	0.7
239.03630	0.6
241.05069	4.0
243.02954	0.6
247.48100	0.4
257.04550	4.1
285.04077	87.4
286.04410	1.7
287.68030	0.4
303.05142	3.2
316.02563	0.4
410.32181	0.4
459.14987	3.2
485.13126	3.0
501.13773	0.3
593.15308	0.4
611.16309	25.3
612.16626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46643	0.7
57.03454	1.5
59.01386	37.8
60.90394	0.9
63.02392	1.6
65.00327	27.0
71.01379	9.6
73.85062	0.7
77.09875	0.7
83.01385	13.8
85.02974	3.6
87.00903	1.3
89.02444	10.1
92.10702	1.8
95.04987	0.9
99.04515	8.7
101.02448	6.9
101.40079	0.9
107.01395	35.5
109.02943	1.1
110.19087	0.9
113.02496	3.8
119.03506	2.1
120.01375	0.8
123.04530	19.4
125.02454	9.9
133.02975	5.6
135.04529	8.7
141.07043	1.1
146.03647	0.9
149.02440	2.0
150.03244	6.3
151.00388	100.0
151.04008	30.8
151.05222	1.5
152.01147	8.9
155.75558	1.0
159.04469	0.9
165.12914	1.3
169.01465	1.4
175.03964	3.5
176.01122	1.7
177.01936	1.2
178.99821	6.2
185.06091	2.0
187.27231	0.9
189.05649	1.1
199.04131	6.1
207.13905	14.7
209.11858	15.6
213.05606	1.3
215.03580	1.3
217.05112	2.0
225.14995	1.8
227.07155	18.2
241.05081	1.2
251.12985	11.1
257.04614	3.4
269.14014	27.2
285.04083	87.8
303.05020	2.1
389.12476	1.6
429.23694	1.2
431.19211	13.9
449.20404	28.6
459.14941	5.3
485.13080	1.3
551.21887	1.2
611.16187	26.4
611.25677	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	609.344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29700	0.4
54.69496	0.4
59.01385	100.0
61.98825	2.0
75.00861	0.5
116.92862	4.8
119.05008	0.8
135.00845	0.5
140.05661	0.6
142.44202	0.5
147.04552	4.2
163.03990	1.2
206.04993	0.5
209.98509	0.5
211.45952	0.5
532.08978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26656	0.9
55.01889	2.4
57.03451	5.4
58.00607	4.7
59.01387	64.9
71.01383	27.1
71.05031	2.2
72.99319	2.3
73.02946	4.9
75.00900	3.9
83.01404	6.2
85.02948	13.8
87.00879	1.8
87.04536	6.7
88.98807	1.7
89.02435	19.3
95.01378	1.8
96.96022	2.1
99.00903	1.8
101.02440	18.8
113.02444	9.8
119.03489	6.3
121.02940	4.2
125.02448	1.1
126.56264	0.9
127.11340	1.7
141.12880	1.1
153.12848	4.3
154.32706	0.8
155.14394	1.0
157.12334	7.3
160.39665	1.0
161.65541	1.1
167.14348	1.1
169.12325	5.7
171.13931	2.0
175.48441	0.9
183.13847	2.3
187.13391	8.5
197.11707	1.5
255.02914	1.3
259.24039	1.3
271.02536	2.1
294.03012	1.0
300.02698	4.9
301.03625	1.2
343.28522	5.2
369.26480	1.9
377.06168	1.0
387.27582	100.0
388.28278	1.5
447.26050	7.3
474.29599	1.1
549.32953	86.8
609.14777	2.3
609.31317	16.2
609.39459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97359	1.3
51.46618	1.4
53.38535	1.5
53.75100	1.4
57.03457	2.5
58.60849	1.3
59.01385	100.0
60.99326	2.7
61.02154	1.4
61.98836	24.9
61.99072	1.6
69.03442	2.2
71.01418	2.6
73.02950	3.4
75.00873	2.9
75.49476	1.7
76.37182	1.7
83.05032	4.4
83.67494	1.5
85.02972	2.1
87.00873	3.0
88.98786	14.8
99.04538	1.8
101.82453	1.6
107.05070	2.6
108.47510	2.0
111.04556	2.3
113.06104	1.9
116.92846	9.5
123.04528	2.5
123.08124	2.3
125.06140	2.2
147.04578	10.0
407.59167	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	611.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
58.64307	0.6
59.01400	4.2
61.27043	0.6
63.02417	3.0
63.14296	0.7
65.00329	26.1
66.46076	0.7
71.01376	1.7
73.02975	1.0
81.03447	0.9
83.01389	12.5
85.02969	0.8
105.03458	0.7
107.01393	34.8
108.02169	1.2
109.02951	1.3
114.12782	0.7
123.04532	16.4
124.01650	1.4
125.02461	10.4
133.02971	7.6
135.04523	8.5
149.02435	1.7
150.03235	8.4
151.00377	100.0
151.03999	30.2
152.01187	7.8
159.04475	0.7
171.65126	0.7
173.06042	0.8
175.03975	2.9
176.01115	1.0
177.02010	1.4
178.99876	6.2
185.06052	0.9
189.05579	1.1
191.05629	10.1
199.04004	5.6
212.04941	0.8
213.05605	1.7
215.03448	1.2
217.05026	1.4
229.05156	1.2
241.05119	4.1
254.51312	0.9
257.04568	3.4
285.04089	77.4
303.05084	1.1
337.09378	1.1
344.47171	0.9
362.23767	0.8
399.99893	0.7
405.05267	0.9
459.15027	3.5
462.70267	0.9
485.12894	2.4
551.14716	0.8
611.16284	22.4
611.24213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90902	0.5
59.01387	1.0
69.25742	0.6
72.00902	8.4
74.02463	13.4
82.79268	0.6
89.02477	0.9
96.95980	1.1
109.02963	0.8
115.07658	3.1
116.05064	52.0
123.04527	9.0
125.02465	5.8
128.23051	0.7
130.06668	0.9
137.02492	1.3
142.06636	12.6
143.07161	1.2
153.05577	11.5
159.09282	11.4
161.02431	0.7
167.10748	1.5
177.01926	3.7
186.05603	2.8
203.08281	100.0
204.08678	0.9
205.07178	3.1
261.03906	0.9
305.06696	1.0
310.61731	0.7
315.11020	2.8
405.21179	1.0
423.07364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06053	1.0
57.79685	1.2
58.00609	1.4
59.01383	100.0
61.96087	1.2
61.98838	1.6
69.85746	1.3
71.01381	52.1
72.99326	2.9
73.02962	8.0
74.66975	1.1
75.56153	1.1
83.01395	6.5
85.02939	12.0
87.00900	2.2
88.98815	1.3
89.02441	72.3
95.01352	1.5
99.00854	8.8
101.02441	34.7
113.02428	13.3
115.07672	1.3
116.92860	10.9
119.03511	9.2
125.02463	4.9
125.50566	1.2
129.01945	1.8
131.02512	2.3
131.03494	58.3
143.03484	1.4
145.03012	1.5
149.04559	42.3
151.00352	1.9
156.27438	1.4
161.04547	3.1
173.04570	1.7
179.05614	7.1
191.05623	35.2
211.13387	2.4
214.57692	1.3
221.46873	1.4
251.07756	2.6
255.03078	2.5
271.02438	9.6
300.02847	10.6
301.03458	5.0
311.09781	5.0
318.52740	1.6
333.57562	1.2
387.27490	15.3
417.24969	15.3
516.52820	1.3
549.33441	21.7
609.14380	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03431	1.0
58.00615	1.7
59.01387	100.0
67.68648	1.1
71.01382	55.3
72.99326	4.9
73.02941	8.0
83.01408	5.5
85.02952	13.4
87.00881	1.2
88.98850	1.4
89.02442	72.8
92.60297	1.2
92.68311	1.0
95.01417	1.5
99.00900	6.8
101.02442	39.6
113.02467	13.3
116.92867	7.5
119.03522	7.2
125.02457	4.3
129.01952	2.3
129.31494	1.0
131.03505	66.3
143.03455	2.1
145.02989	2.1
149.04565	42.9
161.04590	2.4
179.05626	10.8
182.56845	1.2
191.05629	34.8
221.06651	4.4
251.07831	4.7
255.03070	4.1
271.02487	5.1
300.02728	11.1
301.03409	3.8
311.09833	4.9
334.04822	1.1
387.27744	15.3
417.24933	14.1
448.63986	1.1
549.30444	18.4
609.14630	6.0
609.27344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1471
Annotation	Rutine
Peak:m/z	Relative Intensity
64.06371	0.5
64.59590	0.5
65.00323	1.0
65.20929	0.5
81.63328	0.6
83.01379	1.2
87.17507	0.5
107.01416	4.0
108.02180	0.8
108.98654	0.7
109.02975	2.4
121.02923	2.4
135.00900	0.9
148.01678	2.7
151.00395	14.1
163.00375	4.2
169.01350	0.6
178.99873	6.2
192.00700	0.6
207.54111	0.6
211.04050	1.3
224.42299	0.6
226.02725	0.8
227.03520	4.9
233.36974	0.6
243.02998	14.6
244.03685	0.6
245.04590	1.1
254.02162	1.4
255.03006	37.4
255.05705	1.4
271.02502	78.7
272.03168	2.3
272.19507	0.6
273.04056	1.0
283.02359	0.7
300.02777	100.0
301.03561	31.7
348.84625	0.6
439.44458	0.6
609.14722	74.3
610.14807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01389	26.4
59.01608	1.6
61.84522	1.5
65.00335	6.7
70.22604	1.4
71.01380	17.2
73.02971	2.9
78.01237	1.5
79.01933	2.2
81.03479	2.2
83.01402	3.2
84.77751	1.9
85.02969	9.8
87.00921	2.9
89.02469	10.6
91.23366	1.7
93.03477	4.2
95.01416	3.0
97.02995	3.7
99.00906	1.9
99.04535	3.5
101.02441	8.1
107.01423	7.3
109.02956	3.3
111.00898	3.7
113.02473	6.4
115.25296	1.8
119.03491	1.8
121.02963	21.6
123.00948	2.4
125.02427	18.0
131.01387	3.4
131.03555	2.5
133.02939	2.7
136.05342	1.8
137.02435	17.1
139.03992	2.7
147.00890	2.5
147.04520	2.4
148.01701	1.9
149.02452	76.2
150.03214	6.8
151.00406	16.0
151.04001	7.9
151.07672	3.2
161.02493	3.4
161.04651	2.8
163.00417	13.7
163.04004	3.3
165.01956	29.8
167.03551	6.4
171.04506	1.8
175.00348	17.7
177.01926	6.9
179.03622	1.9
179.07042	2.0
179.26060	1.8
183.04587	1.9
187.03989	2.5
189.01932	2.5
190.02705	2.4
190.99947	4.0
191.03531	9.6
191.05672	2.0
192.00655	1.9
193.01445	23.4
203.03593	2.7
205.01355	2.9
207.10249	2.0
211.03943	2.0
215.03560	4.1
216.04155	1.7
217.01404	2.7
219.03011	2.8
223.02629	2.9
227.03566	3.0
229.05112	2.7
243.06693	2.0
255.03024	62.6
257.04575	2.3
271.02557	3.8
281.04620	2.7
283.02563	34.6
285.04077	3.1
297.04083	3.5
299.05524	3.5
300.02798	3.0
301.03592	8.5
313.03427	12.3
314.04398	24.8
315.05032	4.2
325.03665	16.6
327.04852	2.6
343.04623	100.0
355.04636	3.2
373.05719	56.2
385.05835	2.9
417.25095	8.7
445.07904	4.2
489.10498	55.1
500.29736	2.2
519.11548	2.1
549.29535	3.0
609.14630	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80120	0.6
50.98864	0.8
55.23780	0.7
57.31111	0.7
59.01379	8.0
62.13416	0.7
65.00324	3.3
68.80228	0.9
70.65936	0.8
71.01379	2.1
79.01884	1.6
81.03498	1.2
82.95309	0.8
83.01395	1.6
85.02952	1.2
85.37384	0.8
89.02432	1.1
93.03471	1.8
95.01402	1.7
97.02930	1.9
97.65730	0.9
101.02455	1.6
105.03480	1.3
107.01438	3.2
109.02943	3.7
111.00894	3.1
113.02474	1.2
117.03466	1.0
121.02939	14.3
123.00850	2.0
123.04482	1.0
125.02427	13.4
131.01344	1.3
133.02934	1.9
135.04520	1.5
136.01697	1.3
137.02412	14.1
139.03969	1.5
147.00861	2.0
147.04417	1.0
148.01640	4.2
149.02437	54.2
150.03171	4.4
151.00375	8.3
151.03981	5.8
151.07675	1.0
161.02390	1.5
163.00417	8.8
163.04028	3.0
164.01173	3.9
165.01917	22.5
167.03516	6.1
171.04601	1.0
173.02431	1.1
175.00352	10.5
175.03993	0.9
176.01128	1.5
177.01875	8.1
179.03432	5.0
187.04033	2.1
189.01900	2.0
190.02609	1.0
190.99866	1.4
191.03488	10.4
193.01427	20.6
199.07520	1.0
203.03448	1.0
205.01422	4.8
213.05559	1.1
215.03534	5.2
217.01367	3.7
223.06085	1.0
241.19150	0.8
243.02844	1.6
253.05081	1.5
255.03067	1.0
257.04568	1.5
259.02612	1.2
269.04776	1.1
271.06055	1.2
281.04608	1.1
285.03955	3.1
297.03952	4.5
299.05588	1.5
300.02850	3.6
301.03564	9.3
313.03629	15.3
314.04294	26.2
315.04953	7.1
325.03610	10.7
327.05130	5.5
341.03058	1.2
342.03741	1.4
343.04599	100.0
344.05075	1.3
355.04645	7.7
357.05783	1.3
367.04462	0.9
373.05682	47.9
374.05850	1.0
384.69629	0.9
385.05753	4.3
409.05713	3.1
416.59756	0.9
417.25079	1.6
445.07718	4.6
447.09308	0.9
463.09012	1.1
489.10464	47.6
526.07294	0.9
549.29138	1.1
609.14673	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.6
59.01387	1.3
62.25537	0.8
63.11188	0.7
65.07637	0.8
77.75304	0.8
81.03474	3.5
83.01396	4.0
88.66804	1.0
93.03476	4.0
95.01395	1.7
95.05036	1.1
96.96017	87.3
97.02966	2.2
109.02978	17.0
111.04540	4.2
121.02971	7.3
123.00897	5.5
124.01664	4.3
125.02455	100.0
125.84856	1.0
126.02829	1.1
131.05037	1.2
133.02950	1.3
135.04553	1.9
137.02454	28.1
138.03246	1.4
139.04036	15.7
143.05040	1.1
149.02452	8.5
149.06085	1.2
151.04056	6.8
159.04498	2.0
161.02467	1.8
163.04001	3.8
164.01169	4.5
165.01929	13.0
167.03543	17.7
171.04547	1.0
175.03996	8.6
177.01955	71.0
177.05472	4.0
178.02481	1.4
179.03516	5.8
185.06100	0.9
187.04030	4.6
199.03984	1.7
201.05476	1.2
202.90135	1.2
203.03529	4.0
211.04025	2.0
215.03557	1.5
217.05014	1.7
219.06659	6.8
221.04642	4.5
227.03600	1.4
229.05089	4.4
231.06421	0.9
241.04924	1.0
243.03018	9.0
255.03023	22.3
256.03735	5.4
257.04474	1.2
261.04156	1.7
261.07678	1.6
269.04559	3.8
273.04041	5.0
282.01718	1.3
283.02521	12.1
285.04050	3.9
297.04089	5.9
299.05597	1.1
303.05136	4.0
305.06741	36.2
355.08469	1.3
423.07278	56.7
439.15903	1.1
441.08356	12.9
476.05795	1.0
483.09460	3.7
609.12671	3.7
633.13550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.6
59.01387	1.3
62.25537	0.8
63.11188	0.7
65.07637	0.8
77.75304	0.8
81.03474	3.5
83.01396	4.0
88.66804	1.0
93.03476	4.0
95.01395	1.7
95.05036	1.1
96.96017	87.3
97.02966	2.2
109.02978	17.0
111.04540	4.2
121.02971	7.3
123.00897	5.5
124.01664	4.3
125.02455	100.0
125.84856	1.0
126.02829	1.1
131.05037	1.2
133.02950	1.3
135.04553	1.9
137.02454	28.1
138.03246	1.4
139.04036	15.7
143.05040	1.1
149.02452	8.5
149.06085	1.2
151.04056	6.8
159.04498	2.0
161.02467	1.8
163.04001	3.8
164.01169	4.5
165.01929	13.0
167.03543	17.7
171.04547	1.0
175.03996	8.6
177.01955	71.0
177.05472	4.0
178.02481	1.4
179.03516	5.8
185.06100	0.9
187.04030	4.6
199.03984	1.7
201.05476	1.2
202.90135	1.2
203.03529	4.0
211.04025	2.0
215.03557	1.5
217.05014	1.7
219.06659	6.8
221.04642	4.5
227.03600	1.4
229.05089	4.4
231.06421	0.9
241.04924	1.0
243.03018	9.0
255.03023	22.3
256.03735	5.4
257.04474	1.2
261.04156	1.7
261.07678	1.6
269.04559	3.8
273.04041	5.0
282.01718	1.3
283.02521	12.1
285.04050	3.9
297.04089	5.9
299.05597	1.1
303.05136	4.0
305.06741	36.2
355.08469	1.3
423.07278	56.7
439.15903	1.1
441.08356	12.9
476.05795	1.0
483.09460	3.7
609.12671	3.7
633.13550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08638	1.7
53.10958	1.6
55.01883	2.7
57.03459	4.4
58.00614	2.5
59.01385	100.0
61.98860	1.7
64.00172	1.9
71.01379	68.6
72.99318	3.1
73.02967	12.1
75.00895	2.1
82.95435	3.6
83.01388	4.4
85.02954	18.5
87.00909	9.6
89.02445	43.0
93.02818	1.8
95.01424	4.3
96.95985	2.6
98.41933	1.8
99.00895	2.8
101.02435	36.7
113.02454	23.6
119.03493	14.6
123.04570	2.8
123.21066	1.8
131.03485	4.5
135.04475	1.8
141.12962	2.3
143.03465	3.8
160.03624	2.0
161.04564	8.4
167.14459	2.7
169.74939	1.9
171.00034	1.9
179.05659	17.5
241.14406	8.1
253.18109	7.8
274.68289	2.1
323.25912	4.0
367.24884	63.4
385.25876	2.8
403.19806	26.5
415.23264	8.2
516.28351	2.1
547.30957	12.9
551.53204	2.3
563.33929	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	607.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08638	1.7
53.10958	1.6
55.01883	2.7
57.03459	4.4
58.00614	2.5
59.01385	100.0
61.98860	1.7
64.00172	1.9
71.01379	68.6
72.99318	3.1
73.02967	12.1
75.00895	2.1
82.95435	3.6
83.01388	4.4
85.02954	18.5
87.00909	9.6
89.02445	43.0
93.02818	1.8
95.01424	4.3
96.95985	2.6
98.41933	1.8
99.00895	2.8
101.02435	36.7
113.02454	23.6
119.03493	14.6
123.04570	2.8
123.21066	1.8
131.03485	4.5
135.04475	1.8
141.12962	2.3
143.03465	3.8
160.03624	2.0
161.04564	8.4
167.14459	2.7
169.74939	1.9
171.00034	1.9
179.05659	17.5
241.14406	8.1
253.18109	7.8
274.68289	2.1
323.25912	4.0
367.24884	63.4
385.25876	2.8
403.19806	26.5
415.23264	8.2
516.28351	2.1
547.30957	12.9
551.53204	2.3
563.33929	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	607.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19509	1.1
55.01901	2.3
57.03471	5.2
57.67029	1.3
58.00613	1.4
59.01384	95.7
61.98832	1.8
69.48578	1.2
71.01378	51.7
72.99316	1.5
73.02967	8.5
76.50630	1.3
83.01417	2.2
85.02956	14.4
87.00886	3.2
89.01891	1.7
89.02446	44.8
90.90681	1.3
95.01428	6.0
96.96022	5.9
98.45443	1.2
99.00909	1.9
101.02432	22.9
111.08217	1.4
113.02446	17.8
119.03494	14.6
125.02434	2.1
125.09710	2.0
131.03496	5.0
135.91328	1.5
143.03528	2.6
149.04617	2.5
155.10840	2.6
157.12318	2.8
161.04607	5.7
167.14474	2.6
171.13962	3.3
173.11862	1.6
178.83864	1.5
179.05608	9.3
181.12309	2.2
183.10304	20.6
237.42290	1.7
240.13676	1.5
241.14516	1.9
251.16550	2.8
253.17979	2.4
305.16199	2.2
323.25980	8.8
367.24924	100.0
415.23447	7.3
503.32150	16.6
521.33478	8.1
547.28448	8.3
561.18744	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	607.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13381	0.8
59.01386	10.7
60.99311	20.3
67.94205	1.0
71.01373	7.6
72.91183	0.9
72.99339	1.1
88.09842	0.9
88.98801	100.0
89.02451	6.8
96.96021	1.4
101.02467	4.1
119.03462	1.0
125.02444	4.0
143.07278	1.0
177.01897	1.2
181.88821	1.1
219.06825	0.9
253.18233	0.9
265.11099	1.4
428.94397	1.0
440.66473	1.1
516.97241	1.1
547.27014	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13381	0.8
59.01386	10.7
60.99311	20.3
67.94205	1.0
71.01373	7.6
72.91183	0.9
72.99339	1.1
88.09842	0.9
88.98801	100.0
89.02451	6.8
96.96021	1.4
101.02467	4.1
119.03462	1.0
125.02444	4.0
143.07278	1.0
177.01897	1.2
181.88821	1.1
219.06825	0.9
253.18233	0.9
265.11099	1.4
428.94397	1.0
440.66473	1.1
516.97241	1.1
547.27014	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1889
Annotation	Dimethoxyscytonemin
Peak:m/z	Relative Intensity
59.01385	14.0
59.50119	1.5
71.01402	7.5
85.02969	4.3
88.73722	2.2
96.96018	16.4
101.02454	2.5
108.02178	83.3
109.02985	12.2
116.92846	14.0
124.57079	1.7
125.02438	4.3
137.02441	4.0
152.01170	100.0
153.01897	3.9
163.04018	2.6
164.96664	1.7
169.28763	1.8
177.01839	2.1
186.50714	2.2
236.34052	2.2
607.09424	3.5
607.18903	73.8
622.29230	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	607.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38304	0.2
57.03453	1.0
59.01383	1.4
60.98979	0.2
60.99306	1.2
66.37413	0.2
67.01880	4.0
69.03458	1.4
71.01366	1.6
72.64190	0.2
81.03453	1.1
83.04070	0.2
83.05020	1.0
85.02938	5.7
87.00863	7.1
93.03441	27.2
99.00893	0.8
99.04478	0.4
109.02952	0.2
111.04517	5.0
113.02377	0.2
119.05013	9.0
125.02429	1.0
127.03997	2.0
129.01930	1.0
134.00006	0.2
139.76976	0.2
145.02892	1.8
147.15144	0.2
155.03436	0.4
161.02356	0.3
163.03993	9.1
163.82664	0.2
171.02953	0.3
173.04527	7.3
191.05600	100.0
192.05940	0.3
201.11336	1.1
250.93372	0.2
274.21451	0.2
337.09320	22.1
492.83664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18406	0.7
55.22070	0.8
57.03455	1.7
57.33460	0.7
57.39889	0.7
59.01381	32.2
61.98838	1.2
69.03472	1.1
70.26609	0.8
71.01376	18.8
71.05016	3.7
73.02959	4.5
78.95879	1.1
83.01387	1.7
85.02953	4.0
88.61897	0.7
89.02437	26.9
96.95997	14.1
96.96962	1.0
99.04531	1.1
101.02422	9.8
109.06583	1.1
111.08145	2.0
113.02440	4.5
113.06114	0.7
119.03488	0.7
120.97939	0.8
125.02437	5.8
131.03503	9.6
135.48454	0.8
137.09718	7.1
139.11322	1.1
141.68246	0.8
144.96138	4.8
146.95905	1.4
149.04538	11.1
159.10222	1.3
188.95174	3.1
190.94772	1.5
191.05525	3.9
191.14348	1.1
193.18480	0.9
207.17462	0.9
209.11806	1.2
250.20087	0.9
251.16516	100.0
252.16736	1.2
293.08777	13.7
353.51349	0.9
440.57498	0.9
520.94666	1.0
536.41785	0.9
545.26801	3.9
605.35217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47103	8.5
51.00514	10.7
58.05212	10.3
59.01382	100.0
61.41410	11.1
67.50455	10.8
69.21375	10.9
71.01405	24.5
71.75632	11.5
72.99284	12.9
73.02938	15.9
79.67756	11.1
85.02979	14.2
85.99917	10.8
89.02446	20.3
101.27528	11.0
119.05061	13.7
119.56353	11.2
125.02366	14.3
131.07100	14.3
150.56657	16.7
165.05573	16.3
191.05612	12.2
261.14355	11.9
268.77222	12.1
327.08841	54.2
413.22083	14.0
545.26111	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	605.2415
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.68481	0.5
59.01389	3.1
68.99572	0.7
73.71719	0.5
82.95420	0.7
86.76557	0.6
99.92596	1.3
101.02416	0.7
116.92850	5.3
219.01396	0.6
355.10242	0.6
415.15649	1.4
416.16873	0.8
429.17303	1.4
430.18195	1.4
436.29004	0.6
443.18509	1.2
457.20459	2.7
459.17996	5.1
461.23636	1.3
470.21228	0.8
471.18442	3.3
473.19843	7.9
485.19992	3.4
486.21161	5.8
499.17795	2.7
501.23062	4.0
511.21198	4.8
513.19379	3.5
514.20062	10.0
518.19531	1.2
529.22516	100.0
530.22388	2.8
532.21405	1.0
533.21899	1.1
573.21747	0.8
605.23853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73219	0.8
81.47706	0.7
87.97842	0.7
160.02844	0.9
164.58519	0.9
334.21677	0.8
416.09833	0.9
429.17181	4.6
430.17722	9.4
444.19748	3.3
445.20416	100.0
446.20776	1.7
459.22015	19.0
460.23117	4.3
462.17245	1.1
473.19846	1.2
504.21817	39.9
505.22513	1.2
518.23242	6.8
519.24078	37.6
573.25201	1.5
605.27814	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90185	2.9
53.26294	2.9
53.66064	2.4
58.15596	3.0
67.75666	2.8
73.67661	3.0
115.58705	3.1
430.17822	16.5
445.20352	100.0
459.21790	17.2
504.21802	54.7
518.23761	7.7
519.24280	48.4
526.28131	3.8
573.25427	5.8
605.27844	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
51.64062	0.5
52.73717	0.5
55.81330	0.5
57.03454	9.7
58.67320	0.6
58.74763	0.6
59.78593	0.6
66.27146	0.5
69.03461	0.7
81.03452	4.4
81.69498	0.6
83.01387	6.4
93.03478	2.8
95.01390	1.3
95.05035	4.7
96.96012	1.4
97.02971	4.8
103.88209	0.6
109.02944	18.6
109.03674	1.0
111.04531	7.1
113.06118	0.7
121.02947	2.7
121.06580	0.8
123.00874	5.6
123.04528	1.4
124.01635	5.4
125.02434	100.0
133.06583	1.0
135.04547	1.2
137.02432	32.4
138.03198	2.7
139.04002	23.7
139.04988	1.3
149.06078	1.3
151.00394	2.6
151.04007	3.5
153.01915	11.3
159.04503	1.3
161.02426	2.6
164.01160	8.0
165.01929	21.7
165.03242	1.1
166.02608	1.2
167.03485	26.8
173.06085	1.2
175.04022	1.0
177.01917	2.6
177.05568	5.7
178.02684	1.0
179.03488	13.7
181.05145	0.9
183.84685	0.7
191.07098	1.5
201.05608	1.1
203.03543	3.3
204.04276	2.8
215.07085	0.7
219.06641	18.2
221.04510	7.7
237.07741	1.5
261.07687	5.0
305.06680	93.1
306.06793	0.7
313.79938	0.7
322.50931	0.7
417.60025	0.7
426.84747	0.7
509.11368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
57.03465	1.8
57.26875	0.3
59.01387	3.7
69.03459	0.5
71.01392	14.7
72.99319	6.9
73.02956	5.3
73.93581	0.5
83.01412	2.3
85.02968	9.0
87.00888	0.7
89.02460	1.0
92.85997	0.4
95.01421	0.7
95.05032	0.4
96.96021	1.0
97.02956	1.5
99.00899	2.3
101.02437	9.6
101.03011	0.6
107.05042	100.0
109.02944	3.3
109.06602	0.6
113.02435	5.6
119.05004	0.5
121.19401	0.4
123.04506	3.3
125.02432	3.1
137.02434	1.8
139.04057	0.6
149.02486	0.7
151.04033	8.5
159.02971	0.8
161.04588	12.4
161.05931	0.7
164.01181	0.6
199.09767	0.8
203.07147	0.9
245.08307	1.7
267.12161	0.5
289.07248	6.9
290.59094	0.5
313.09433	20.4
313.12924	3.8
447.41617	0.4
519.59656	0.5
547.32990	0.5
567.86353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39600	0.1
54.41058	0.1
55.38336	0.1
56.23333	0.1
59.01394	1.2
59.38109	0.1
61.07953	0.1
61.98840	0.7
67.34988	0.1
71.01376	0.6
73.81850	0.1
78.95906	5.5
79.95737	1.8
83.05047	0.3
85.02972	0.2
89.02448	0.3
92.10723	0.2
96.96016	100.0
96.96909	7.0
101.02435	0.2
108.32417	0.2
119.55472	0.1
119.97256	0.1
131.03517	0.2
137.57558	0.1
170.12965	0.2
187.59804	0.2
193.36862	0.1
205.16002	0.2
209.11867	2.7
215.17043	0.1
227.12938	0.7
249.15031	2.2
263.95218	0.1
292.55106	0.2
325.38727	0.2
343.15619	0.7
390.60431	0.2
426.10129	0.2
520.21808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90400	0.8
59.01388	9.0
59.11255	0.8
60.99316	22.8
61.98835	12.3
69.21304	0.9
78.00423	1.2
80.79514	0.8
80.91730	1.0
82.95432	4.3
87.00899	2.1
88.00407	2.4
88.71947	0.8
88.98800	100.0
89.02438	9.5
93.83437	1.1
96.96035	1.8
99.00963	1.1
101.18156	1.0
116.92862	2.0
131.15059	1.1
135.82736	1.1
151.46533	1.0
159.11855	1.0
287.19656	1.1
329.70294	1.0
342.86426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35807	0.1
68.57967	0.1
75.19077	0.2
78.95901	2.6
79.95724	2.0
92.10736	0.2
96.96007	100.0
96.96886	3.8
104.48779	0.2
106.66326	0.1
129.55569	0.2
150.01904	0.2
153.50768	0.2
170.92130	0.2
188.35567	0.2
201.10822	0.2
238.66782	0.2
423.11786	0.2
435.26996	0.2
462.70001	0.2
467.88058	0.2
471.81967	0.2
520.78149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49444	0.3
57.03454	18.3
59.01389	4.0
62.65648	0.3
71.01385	0.4
71.05038	0.3
72.99321	1.7
73.02947	1.6
77.86882	0.4
79.84764	0.4
83.05033	6.2
85.02956	13.8
85.06593	20.6
85.07101	0.8
87.04505	0.7
92.10129	1.5
93.03458	3.7
95.05031	17.7
96.96021	0.5
97.06599	1.6
101.06110	0.7
101.83659	0.4
102.83075	0.4
108.90883	0.4
111.00895	12.0
111.08195	0.4
127.11295	1.8
128.91985	0.5
135.08162	0.8
137.09749	1.8
141.05562	0.5
149.02460	1.5
150.02832	0.6
153.09215	11.9
165.05524	0.4
166.05931	0.5
171.10277	39.9
183.06644	2.5
188.41933	0.4
196.68251	0.4
197.08231	3.5
198.69022	0.4
215.09282	100.0
267.47043	0.4
314.11551	0.6
316.12003	0.6
329.13873	0.7
330.14206	1.5
331.14548	1.6
378.16446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77838	0.5
54.83061	0.6
59.01384	53.4
60.99311	1.1
61.98833	1.0
71.01391	1.4
73.78653	0.6
74.14541	0.5
74.44646	0.5
75.00874	4.3
75.51717	0.5
84.46815	0.5
85.02970	0.8
87.00871	0.6
88.98809	6.2
96.96027	0.8
101.02501	0.8
102.48017	0.6
102.60931	0.5
106.04253	3.1
107.05044	1.4
109.06540	0.7
116.92838	1.2
138.55240	0.6
141.79492	0.7
147.08199	4.7
149.06090	81.9
161.95230	0.5
162.14233	0.6
163.07654	0.7
163.11229	0.8
179.10521	0.7
181.12373	2.9
183.10249	0.6
209.08218	100.0
225.11353	9.1
243.12376	0.9
294.09818	0.6
301.03555	1.4
375.27594	11.3
387.16687	3.0
435.20349	15.6
456.01376	0.7
597.26184	1.4
615.06836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03485	1.2
58.00610	1.6
59.01390	100.0
71.01392	52.1
71.01770	2.0
71.92191	0.9
72.99351	1.1
83.01409	1.2
85.02963	9.6
87.00920	2.0
89.02453	64.9
95.01405	4.5
101.02445	19.7
113.02455	19.6
118.71266	0.9
119.03504	28.5
131.03526	1.2
143.03513	4.0
149.02457	5.4
149.04601	1.6
161.04567	6.7
161.06201	1.0
162.03221	1.9
165.93277	1.1
166.06384	1.7
177.05537	1.3
178.01065	1.0
179.05634	25.1
228.74486	1.2
329.13928	1.4
368.74533	1.0
453.66010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71399	0.2
52.85248	0.2
55.01886	1.0
57.03450	1.0
59.01379	2.3
62.70599	0.2
71.01373	8.4
73.02921	2.5
81.03434	0.9
83.01383	1.6
85.02943	4.5
89.02435	1.1
92.10165	0.5
93.03438	2.2
95.01349	0.5
97.02930	0.3
99.00878	0.5
101.02416	3.7
103.73337	0.2
106.04221	4.7
107.05047	1.1
108.02130	0.3
113.02419	3.6
119.03580	0.2
119.05006	4.2
120.63141	0.2
135.04482	0.8
137.02509	3.0
137.06058	100.0
138.06415	0.3
142.66562	0.2
152.97415	0.2
159.02960	0.5
161.04523	9.2
179.03450	0.4
209.55652	0.2
277.95358	0.2
299.07666	1.9
299.11398	1.6
299.14828	0.4
301.76233	0.2
463.90823	0.3
621.76276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76197	0.5
53.97222	0.6
54.09824	0.6
57.03456	1.2
59.01389	66.4
69.03479	0.9
70.45244	0.7
71.05033	1.0
74.26658	0.6
78.32073	0.7
82.14229	0.6
83.05008	0.7
85.02979	3.0
92.10768	0.8
93.03455	4.2
96.96037	1.1
97.06598	0.9
99.08179	0.6
107.08639	0.7
121.02948	4.1
123.04626	0.9
125.09708	2.8
147.04471	0.6
149.02441	76.8
150.02144	0.8
150.03238	20.3
151.11304	1.0
164.04811	16.7
165.05554	23.0
166.06387	3.1
167.07111	5.0
169.08734	1.4
169.12355	2.8
180.04274	1.0
181.08652	0.9
188.04691	0.7
195.06616	8.3
213.07700	8.4
213.11246	5.9
220.67734	0.8
283.09918	2.8
314.11646	30.8
329.13974	100.0
330.14487	1.1
377.16122	37.1
379.56586	0.7
391.29904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83242	0.7
55.49022	0.7
59.01383	100.0
61.51682	0.7
115.02516	5.3
117.00436	11.8
124.83988	0.9
132.98262	1.1
152.71793	0.9
157.00038	1.3
157.03575	1.1
159.01501	84.6
160.01700	1.2
174.99252	16.4
176.98137	0.9
189.88599	1.0
201.02596	29.6
217.00346	46.4
241.00438	0.9
259.01581	3.9
274.99420	5.3
297.13525	1.1
301.02692	41.0
314.98779	0.9
317.00467	30.9
332.98776	1.5
349.92307	1.0
359.01633	13.3
374.99469	1.5
459.01724	11.6
541.00690	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	597.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89043	0.6
53.64119	0.6
54.32317	0.5
55.01897	0.5
57.03457	0.6
59.01384	9.1
60.77815	0.7
61.98833	0.8
68.52851	0.5
70.74524	0.5
71.01402	2.9
85.02934	1.0
85.06596	0.7
88.98830	0.9
89.02462	1.4
96.96003	5.2
97.06565	0.6
101.02459	2.2
108.02193	9.7
109.02960	7.6
112.49016	0.6
113.02441	1.2
121.02962	4.3
123.04530	4.3
135.04509	0.8
137.09749	1.3
141.12923	0.6
164.97667	0.6
181.08711	0.8
183.10219	1.3
203.07213	0.8
204.07779	0.6
237.84460	0.6
252.04106	0.6
253.04916	0.8
267.06461	1.3
275.07230	1.3
276.08066	0.8
277.05069	0.9
277.08453	0.7
278.05890	1.3
279.06573	1.1
289.08740	1.4
291.06683	4.8
292.07623	0.6
293.08157	1.0
294.09225	0.6
302.05624	0.6
303.06573	2.3
304.07455	1.2
305.08252	4.0
307.09708	2.8
311.09094	0.7
317.08160	3.4
318.08777	1.1
319.09860	2.8
321.07724	1.2
323.09293	1.2
335.09406	6.2
336.09995	2.4
337.10883	1.3
341.10373	0.8
349.10764	2.5
350.11615	7.3
351.12360	1.1
355.11945	1.1
357.26569	5.6
364.20642	1.2
365.10318	1.0
366.11008	0.8
367.11697	0.9
375.27634	5.1
380.12759	4.6
385.07245	2.3
386.07767	0.8
395.15054	0.7
401.10312	3.5
413.10144	0.8
415.11926	0.7
427.11768	1.3
441.13696	1.3
442.14658	0.7
443.14975	2.5
458.13840	0.8
459.14420	5.1
461.15823	1.3
473.16241	6.6
489.15677	5.7
492.17920	1.1
504.18015	12.3
507.20334	13.1
519.20306	100.0
520.20386	2.6
537.20862	1.1
537.33142	3.2
564.13507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01392	4.6
60.99340	1.3
63.76940	1.0
68.86546	0.9
69.03474	1.3
71.01392	7.9
73.02960	6.0
83.01382	4.6
85.02928	1.5
86.15432	1.2
87.00880	27.4
89.02463	1.2
92.10715	1.2
93.03430	1.3
96.96010	2.9
97.02963	1.4
99.00896	2.6
100.01669	2.5
101.02442	4.2
102.44900	1.0
109.02966	7.3
111.00880	19.8
112.98814	5.2
120.03391	1.4
121.02966	7.7
122.03767	12.0
123.00892	7.7
123.04528	1.9
125.02444	5.0
133.02986	1.5
135.04512	2.6
136.01669	5.3
137.02501	1.7
142.99873	2.7
144.77950	1.3
147.04591	1.2
149.02460	30.2
150.03238	99.7
151.00307	1.8
151.04050	10.3
161.02451	8.0
161.06062	1.5
163.04012	7.3
164.04778	13.7
165.05571	100.0
166.02727	4.8
167.03535	1.2
173.00903	2.5
173.06230	1.3
174.01732	1.4
175.03944	4.7
176.04787	7.6
177.01932	2.8
178.06343	2.4
179.03506	6.3
179.07098	9.5
180.04308	10.9
181.05040	5.5
188.04729	1.2
190.06343	1.6
191.03506	5.9
191.07169	5.7
193.08707	1.5
193.47797	1.4
194.05873	7.8
195.06650	21.0
203.03416	1.3
205.05096	2.3
206.05893	5.2
209.08199	7.3
217.05141	1.4
219.03041	1.9
221.08229	2.0
234.05525	2.7
236.07025	1.4
240.26189	1.1
247.02502	2.7
247.06406	1.3
261.04147	4.9
262.04871	5.9
264.06421	4.9
265.07214	5.7
267.06662	8.2
276.06400	1.8
277.07288	11.5
279.06766	1.8
282.08994	9.7
297.11365	20.5
297.19641	1.3
312.10181	1.2
327.12396	9.0
337.09433	17.0
345.13330	2.6
369.13562	4.5
375.14554	12.7
409.53854	1.4
413.12561	2.8
461.14679	19.0
533.16705	4.3
579.17145	9.9
597.18420	72.8
598.18958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32917	1.0
59.01384	51.7
61.36406	1.0
61.98841	2.5
68.21219	0.9
69.03111	1.8
69.03458	25.7
70.27464	0.9
71.01378	38.5
72.99319	1.7
73.02936	5.9
75.00833	1.0
76.57739	0.9
79.01888	2.7
81.03440	4.1
83.01403	1.8
83.82301	1.0
85.02932	9.4
89.02430	29.3
93.03413	1.0
93.07240	1.1
95.01369	4.7
96.96037	1.7
97.02933	21.8
99.00871	1.9
101.02425	8.6
107.01381	17.1
108.02168	59.3
109.02937	23.5
113.02420	6.1
116.92848	2.0
121.02925	5.4
123.00830	4.6
125.02423	45.1
131.03476	5.7
135.00870	45.2
137.02412	5.3
143.03423	1.6
149.04536	6.8
151.00359	4.2
152.01140	100.0
153.01933	47.5
158.87601	1.1
171.10255	1.6
177.01811	1.5
189.90724	1.0
195.02934	1.9
197.06023	5.4
209.08257	1.4
221.97615	1.1
243.06604	26.6
260.17056	1.1
293.08768	9.7
327.07059	7.5
333.07639	1.2
340.27167	1.0
375.27499	1.7
408.30634	1.2
419.78619	1.2
426.70035	1.3
429.04648	2.4
429.10391	67.4
430.10321	1.4
503.09912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52149	1.1
57.03450	1.4
59.01388	14.6
64.61751	1.3
69.03440	1.6
71.01382	10.4
72.99316	2.7
73.02964	5.1
83.01399	3.0
84.51137	1.1
85.02967	3.0
85.06598	2.9
87.00881	29.2
89.02454	7.0
92.10689	1.3
93.02897	1.2
93.03455	4.8
96.95383	1.9
96.96014	52.8
98.95589	2.7
99.00869	2.4
100.01641	1.7
101.02453	8.4
104.81480	1.2
109.02939	1.7
111.00890	46.8
112.98840	1.4
113.02467	2.4
121.02950	7.1
122.03727	11.9
125.02462	6.8
128.48511	1.8
131.07143	19.1
137.02452	2.1
138.03308	2.1
149.02467	36.9
149.06096	5.9
150.03232	100.0
151.00352	2.3
151.03993	12.5
161.02408	7.0
163.03957	2.4
164.04803	16.8
165.05577	85.9
166.02710	5.5
176.04784	2.4
176.11934	1.6
177.01979	2.8
177.05560	1.8
178.06322	1.4
178.99840	1.7
179.03510	6.1
179.07138	11.8
180.04285	8.8
181.05031	5.2
191.03560	1.6
191.05640	11.5
191.07071	1.7
193.05098	2.7
194.05843	7.1
195.06631	19.2
205.05035	1.6
209.08192	6.3
219.06755	1.8
234.05331	1.6
239.05605	5.6
247.06122	4.7
249.03976	2.0
249.07422	1.6
264.06354	11.6
265.07199	10.3
293.12479	41.3
337.09354	5.7
357.13425	1.7
358.83759	1.3
365.39041	1.4
413.12384	8.7
461.14694	36.0
487.16000	2.7
510.30515	1.7
523.88837	1.4
579.17645	2.6
597.18347	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40832	0.6
51.85269	0.5
52.34056	0.4
54.33387	0.5
57.03465	2.3
59.01385	1.2
63.02413	2.6
65.00328	25.7
65.95695	0.5
67.23498	0.6
71.01402	3.3
73.02938	0.6
81.15649	0.6
83.01392	11.5
83.01828	0.7
83.13383	0.5
84.47395	0.5
85.02952	1.0
89.02515	0.6
95.01390	0.9
99.00999	0.6
100.70904	0.6
101.02451	1.4
105.03494	0.5
107.01397	37.0
108.02198	0.6
109.02981	2.8
110.39622	0.5
121.02960	0.8
122.03746	1.2
123.04530	13.4
124.01678	3.4
124.64291	0.6
125.02454	16.2
133.02951	6.3
135.04506	4.5
137.02431	0.7
149.02470	3.7
150.03249	9.1
151.00389	100.0
151.04010	23.8
152.01173	16.7
152.80354	0.5
153.01830	0.8
159.04570	0.9
161.04555	0.7
161.06097	0.6
169.01450	2.7
174.03264	0.9
175.04019	4.3
176.01144	1.0
177.01971	3.4
178.99886	20.2
185.06035	2.6
187.03964	0.8
189.05589	1.2
197.06215	0.6
198.03174	0.7
199.04080	3.9
213.01994	0.6
213.05650	1.1
215.03575	1.9
217.05013	1.3
230.24031	0.6
239.03453	0.6
240.04501	0.6
241.05095	2.8
243.29433	0.6
257.04807	0.7
285.04095	58.2
286.04282	0.8
302.04492	2.5
303.05161	5.0
412.62350	0.7
445.13617	5.4
471.11472	3.5
579.14032	0.8
597.14709	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	595.3131
Annotation	Baiyunoside
Peak:m/z	Relative Intensity
53.74326	0.6
55.01879	6.6
57.03457	3.7
59.01384	40.3
61.98838	3.6
62.00049	0.7
71.01378	21.7
71.05025	0.9
72.99315	1.2
73.02941	8.0
78.00525	0.7
83.01392	6.1
83.05047	0.9
85.02947	13.2
88.98793	0.8
89.02462	3.3
95.01383	1.7
95.05084	0.9
96.96027	1.6
97.06562	0.9
99.00878	4.3
99.04524	1.0
101.02447	19.9
113.02451	6.1
125.02433	1.5
131.03542	0.9
136.20958	0.8
141.01741	1.2
157.61447	0.9
159.03012	1.4
161.04698	1.1
189.92107	0.9
241.14735	0.9
265.14368	1.0
283.15533	0.8
301.21768	100.0
334.88339	0.8
463.27130	35.7
544.10364	0.9
572.96692	1.0
595.31390	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90562	0.9
56.39436	0.9
57.03455	2.2
58.22923	0.9
59.01387	2.7
63.02395	1.6
65.00330	11.3
71.01385	2.0
72.30340	1.2
72.99323	7.6
75.49739	1.1
79.39687	1.1
82.29192	1.2
83.01372	9.2
84.80769	1.0
87.00841	1.9
91.05536	4.8
96.96014	6.1
101.02487	1.4
102.69231	1.2
107.01403	23.1
109.02968	3.0
111.00893	5.8
117.03430	1.6
121.02957	1.8
123.04521	6.4
124.01626	1.6
125.02445	40.5
131.01358	2.6
133.02943	2.9
135.04497	4.4
137.02458	2.8
139.03967	1.8
149.02475	11.9
149.06114	14.9
150.03218	14.1
151.00380	100.0
151.03999	11.4
152.01137	7.5
153.01933	17.9
163.04010	2.8
165.01921	3.0
165.05585	6.5
167.03464	1.5
169.01425	5.7
175.00381	12.9
175.04021	7.0
177.01909	9.8
177.05528	1.7
178.99867	46.3
179.03490	1.4
181.01414	7.7
185.06079	2.3
191.05566	7.5
195.05080	2.2
199.04022	5.3
201.01994	1.6
217.05042	2.6
227.03459	1.4
231.14355	1.4
239.05620	11.5
240.06050	5.1
241.05118	2.9
257.04562	1.8
275.05630	5.9
284.03256	10.1
285.04065	71.3
303.05164	33.0
313.05713	8.9
341.05029	4.9
357.08365	1.7
435.09445	44.2
447.09424	7.4
461.14270	4.5
465.10458	2.3
533.16241	1.4
597.18298	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	597.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44390	0.7
57.03450	9.5
59.01394	3.7
60.23818	0.7
63.02412	3.1
65.00324	10.5
70.72547	0.8
71.01384	1.1
76.57814	0.9
81.03469	1.1
83.01392	6.6
87.33642	0.8
89.02482	0.9
95.01409	2.0
95.51134	0.8
107.01400	19.3
109.02952	3.5
111.00900	1.2
121.02943	6.3
123.00904	4.5
123.04539	11.0
124.01682	10.9
125.02451	94.9
133.02972	7.0
135.04518	1.5
137.02446	2.0
139.00389	1.3
149.02460	6.8
150.03270	12.4
151.00381	55.0
151.04015	25.6
152.01160	39.6
153.01926	5.5
161.30910	0.9
165.01947	0.9
169.01364	2.0
171.04546	1.1
173.06088	0.9
175.03978	7.2
176.01143	1.5
177.01891	4.1
178.99876	28.5
185.06059	1.1
189.05545	6.3
191.03569	2.6
193.05051	1.7
195.63089	0.9
198.03333	0.8
199.03998	4.6
209.04591	1.4
215.07184	1.1
217.05060	10.9
227.03435	1.5
229.05028	1.1
231.06479	1.5
239.03204	0.9
241.05055	6.4
256.03693	3.2
257.04410	1.2
259.06165	15.2
259.71695	0.9
275.05704	8.5
283.08420	1.3
284.03259	6.7
285.04074	84.1
303.05103	4.7
338.10934	0.9
435.09436	6.0
437.10861	10.5
447.09451	13.3
465.10428	100.0
597.14673	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	595.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85641	0.3
52.07524	0.4
54.53458	0.3
55.01871	0.4
57.03426	0.4
59.01376	37.1
61.98825	3.3
62.87827	0.3
71.01373	3.7
73.02940	1.0
85.02956	2.7
86.09740	0.4
89.02432	0.5
92.10150	0.6
95.01380	0.9
96.95988	0.6
99.00819	0.5
101.02412	3.1
108.02185	0.6
109.02935	2.9
110.68687	0.4
111.00864	0.8
113.02470	1.6
116.75127	0.5
116.92847	1.9
121.02901	0.5
123.00876	3.5
123.04500	0.6
124.01647	2.1
127.41622	0.5
127.89221	0.4
134.03757	1.6
136.01646	36.2
137.02431	4.4
138.03204	0.7
139.00352	2.0
139.03951	0.6
145.02983	0.5
148.05298	0.7
149.02490	0.5
149.06068	2.0
149.68221	0.4
151.00365	5.7
151.03996	44.9
152.01128	3.8
153.01895	0.8
160.05295	0.7
161.04497	1.6
163.03981	1.8
163.07651	2.3
164.04774	2.7
165.05519	4.7
166.02687	20.9
167.03494	4.9
173.06088	0.9
175.04028	0.6
175.07603	2.8
176.08542	0.7
178.06401	0.8
179.07144	2.2
180.04300	0.8
181.05048	25.3
183.10304	0.7
190.06345	8.5
191.07129	8.1
191.10744	0.6
192.07950	0.5
194.05731	0.6
195.06616	0.9
203.07234	1.6
205.08640	4.2
206.09319	1.7
221.15587	1.5
243.12254	0.7
265.14423	1.9
267.30673	0.5
310.08438	2.3
325.10815	3.1
340.13208	3.4
343.11874	4.4
355.15582	2.3
358.14249	8.9
373.16580	100.0
374.16898	2.1
396.62115	0.5
402.25708	0.5
535.30377	0.6
595.33557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39962	0.2
59.01374	0.9
66.01107	0.2
70.72755	0.2
71.01395	0.3
81.69801	0.2
89.02428	0.4
91.01878	0.2
96.96025	0.2
101.02441	0.5
120.02138	1.6
121.02941	100.0
122.03291	0.3
125.02419	0.3
136.01633	1.0
149.02448	1.3
152.08440	0.2
153.51128	0.3
166.00029	0.2
167.03447	0.4
209.04556	56.2
210.04924	0.3
307.04404	0.3
313.09525	0.3
395.07089	0.3
417.40619	0.2
595.24628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31066	0.3
59.01398	3.3
60.99002	0.8
60.99314	20.4
61.98840	0.7
71.01394	1.8
73.02948	0.6
79.03313	0.4
81.45370	0.4
83.04990	0.3
84.77547	0.4
85.02951	0.4
86.12951	0.4
87.00835	0.4
88.98804	100.0
89.02450	2.4
90.59447	0.4
93.07107	0.6
96.95972	0.4
97.25593	0.4
101.02457	0.5
113.02457	0.5
119.03491	0.4
119.55566	0.4
121.02934	0.5
122.03637	0.4
127.05035	0.4
134.72444	0.4
153.09186	0.6
161.06073	0.4
183.13864	0.6
185.11774	1.9
189.05508	0.6
191.07167	0.5
199.13298	0.5
310.08548	1.4
325.10678	2.0
333.15479	0.8
338.41644	0.4
340.13089	0.6
343.11780	3.5
343.15564	2.1
355.15475	1.4
358.14291	4.2
373.16623	10.3
373.25967	14.4
375.12778	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	595.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	7.9
59.01383	81.9
62.63745	1.5
68.83934	2.1
71.01380	41.6
72.99299	1.7
74.82761	1.7
79.86049	1.6
81.03487	7.8
81.07111	2.5
83.01382	2.6
84.19056	1.7
85.02965	10.8
89.02444	43.2
95.01395	3.6
95.05019	3.5
96.95993	1.9
97.02955	10.0
101.02446	28.5
109.02964	32.1
113.02449	16.1
119.03487	14.4
123.04537	31.3
125.02436	26.6
125.06091	7.5
135.04544	2.7
137.02434	14.8
139.04030	7.0
149.02466	7.1
150.61934	2.0
151.04027	9.3
159.04424	3.6
161.06021	2.8
164.01183	7.3
165.01923	3.8
167.03525	3.0
173.06075	1.9
175.07639	3.0
179.03453	7.2
179.05571	2.1
187.04054	4.2
188.04817	3.6
201.11281	2.2
202.06447	1.9
203.07172	17.4
205.05034	10.8
219.12343	13.7
227.07416	1.9
245.08125	18.9
261.13422	7.5
289.07214	75.6
305.12512	100.0
305.15933	6.9
458.11063	2.1
487.89511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50843	1.3
59.01391	1.6
63.67164	1.2
65.00326	1.4
66.44756	1.2
68.99841	1.3
69.03471	1.2
71.01380	1.9
79.01890	2.0
81.03457	2.5
83.01371	8.7
83.85670	1.1
92.10119	1.2
93.03455	16.0
97.02962	7.1
100.87158	1.2
101.02462	1.4
105.03461	1.3
107.01400	17.7
107.05061	1.4
109.02947	7.1
111.04510	2.6
113.02451	1.6
119.05021	76.3
121.02977	6.9
123.00893	1.8
123.04527	7.6
125.02438	13.7
133.02994	10.7
135.04541	2.9
136.01619	1.7
137.02452	10.2
139.04019	10.0
143.05009	11.7
145.02922	10.9
147.04521	7.1
149.02449	7.2
151.00374	8.9
151.04016	5.3
155.03435	1.5
157.06630	1.6
161.02505	3.4
161.06079	5.5
163.00383	6.5
163.04088	9.1
164.01237	1.5
165.01938	11.1
167.03503	16.1
175.03961	2.5
177.01933	13.0
177.05577	1.6
179.03490	9.2
185.06097	1.6
185.50287	1.2
187.04012	14.5
189.05542	1.4
191.03510	8.3
191.05621	16.4
193.01440	15.9
193.05072	1.4
197.04488	5.7
199.07626	5.5
203.03549	2.0
204.00725	1.8
205.01462	14.8
205.05045	1.7
207.03003	5.9
209.04485	5.4
219.02892	5.8
221.04504	2.2
223.02496	2.3
227.07230	2.6
235.02486	19.2
239.05595	2.3
243.06705	1.2
245.08218	2.3
247.02477	1.6
249.04056	2.1
261.04105	1.6
265.03607	6.7
265.08609	2.1
271.06137	5.7
283.06271	1.4
297.07639	1.7
309.07272	1.4
313.07251	25.3
325.07172	11.0
343.08279	10.5
351.07547	1.6
355.08273	100.0
356.08508	1.7
367.08282	5.3
369.09845	1.6
385.09338	69.4
397.09280	5.2
415.10480	22.4
457.11490	8.5
475.12540	32.0
487.12521	3.0
505.13751	6.1
577.15161	4.6
595.16785	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41046	0.3
51.27618	0.3
59.01394	0.5
64.35100	0.4
65.15218	0.3
65.23116	0.3
71.01379	1.8
73.02950	0.7
83.01380	0.4
85.02961	2.2
89.02431	0.5
92.66754	0.4
93.03447	0.9
94.80437	0.3
95.01411	1.4
96.96015	3.8
99.00835	0.6
101.02466	1.5
108.02182	98.6
109.02962	30.4
113.02493	0.8
115.28899	0.4
117.05560	0.4
121.02966	0.7
123.00901	0.7
123.04542	0.5
133.02995	0.5
146.42426	0.4
147.38899	0.4
151.04010	0.9
152.01167	81.2
153.01950	26.3
163.04041	1.6
165.01895	2.3
177.02071	0.5
181.05058	0.5
195.03055	0.4
234.29208	0.4
250.76788	0.4
315.07275	100.0
316.07266	0.4
419.97241	0.4
448.45691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25743	0.5
57.03455	5.6
60.55354	0.6
68.70108	0.5
69.03455	1.2
74.02484	3.7
76.91858	0.6
81.03452	2.5
81.25150	0.6
83.01407	6.2
86.02464	0.9
86.06059	0.6
93.03457	3.3
95.05016	2.4
97.02937	6.3
97.04051	1.0
99.04510	4.6
99.05640	4.7
104.55892	0.6
107.47961	0.6
109.02957	3.5
110.99087	0.8
114.06683	0.7
121.02970	3.6
123.04507	3.9
125.00713	4.9
125.02449	43.2
126.02797	0.8
127.02253	1.5
128.03548	11.8
137.02449	32.1
138.98552	1.1
139.04002	6.2
139.99400	3.6
141.00177	19.8
143.04630	18.3
146.04610	1.1
149.02477	13.5
151.03979	1.2
153.00192	14.0
154.00998	0.9
155.01730	3.4
161.02444	4.2
164.01151	3.2
165.00165	28.9
165.01891	3.1
167.03490	18.8
167.04855	0.9
177.00154	3.4
177.01791	1.5
179.03334	6.0
179.04813	1.5
179.98868	3.5
180.99664	19.1
183.01216	23.7
193.03299	1.5
195.01103	1.2
197.05893	1.1
201.05605	4.2
203.03479	0.7
210.08876	1.7
219.01196	1.4
235.04324	3.6
243.06587	3.0
244.07590	0.7
248.71657	0.6
253.05290	0.9
254.07872	3.6
269.04581	1.6
272.08945	26.7
277.05496	2.8
279.03403	1.2
280.04834	0.7
287.05707	0.7
303.03391	6.5
321.04431	100.0
322.04645	1.1
341.27866	0.7
384.86792	0.7
456.11118	0.9
573.89050	0.7
594.14197	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	593.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82969	0.4
55.01891	5.8
57.03460	4.5
58.00604	2.1
59.01389	76.6
61.98828	3.4
71.01389	34.9
71.86002	0.4
72.63348	0.4
72.99334	2.1
73.02946	10.1
74.89176	0.4
75.00887	0.7
75.46239	0.4
83.01382	5.6
85.02960	18.5
87.00890	2.0
89.02453	11.5
92.66085	0.6
95.01410	2.8
96.96015	0.8
97.02977	0.6
99.00883	4.5
101.01775	1.0
101.02448	25.6
102.02797	0.5
111.00920	2.6
113.02454	14.5
115.54665	0.4
119.03516	3.7
125.02454	1.7
127.11265	0.6
129.01958	1.7
131.03511	1.1
137.02458	0.6
141.12849	0.6
143.03490	0.9
149.04500	0.9
157.12349	2.4
159.03008	2.6
161.04559	9.1
167.14410	1.8
171.13918	0.6
179.05615	2.1
187.13435	2.0
201.15053	0.5
207.64659	0.5
323.09302	0.6
327.29019	0.5
353.13934	0.5
371.28073	32.6
401.25476	5.3
515.32532	1.7
533.33429	100.0
534.34283	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	594.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	10.4
58.02997	9.9
72.99321	19.5
74.02476	18.4
80.99844	1.5
83.01436	2.8
86.02488	7.3
87.05627	3.0
91.05539	14.7
92.05900	3.7
92.10073	1.8
93.03480	1.8
99.05627	20.7
101.07228	1.7
101.63145	1.9
107.04985	2.3
109.07693	1.8
117.03496	6.3
121.02969	6.8
125.02439	55.9
126.86042	1.7
127.05168	1.8
128.03548	48.5
131.05003	2.5
133.06599	3.1
135.04526	1.7
135.05635	3.0
137.02452	9.7
139.99396	3.5
141.00192	24.8
141.06723	2.3
143.03523	2.8
143.04631	86.6
145.06152	1.9
146.04626	6.5
147.04613	2.3
149.02466	13.6
149.06093	34.3
150.06459	13.4
153.00160	3.0
155.01712	2.1
161.02454	18.4
163.04041	5.8
164.01129	8.5
164.04329	3.0
165.00150	1.5
165.01938	9.1
166.09856	2.5
167.04697	2.3
173.06145	1.9
177.05583	9.6
178.05956	3.3
179.03479	8.1
179.04672	8.9
180.99725	2.1
183.01221	27.7
200.04747	1.9
201.05571	3.0
203.03415	2.0
204.84436	1.8
210.08829	12.8
228.10023	2.3
239.05655	50.3
240.05971	23.5
243.06702	3.7
254.07834	17.4
272.08893	100.0
321.04486	51.7
436.47281	1.6
438.92953	1.9
456.04132	1.9
456.10852	7.4
594.13910	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.2
57.03451	4.8
59.01386	100.0
61.98827	1.3
70.10393	0.8
71.01386	66.8
72.99308	2.0
73.02946	23.0
75.00867	1.4
83.01402	7.8
85.02965	34.4
87.00885	2.5
89.02445	17.0
95.01380	5.4
97.02995	1.2
99.00867	11.6
101.02448	49.3
113.02458	33.1
117.24718	0.9
118.02869	0.9
119.03521	6.3
121.02879	0.9
125.02466	4.8
131.03516	28.0
143.03450	1.5
159.03000	5.5
161.04573	33.9
245.56392	1.0
248.34134	1.0
258.42874	1.0
267.90085	1.0
330.58359	1.1
357.71188	1.1
395.02090	1.2
401.25488	88.1
445.24310	4.8
533.29791	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06287	0.6
55.01904	5.1
57.03217	0.7
57.03467	5.0
59.01390	100.0
61.57956	0.9
66.28705	0.8
67.26804	0.7
71.01384	70.7
73.02949	22.2
83.01386	10.3
85.02953	33.2
86.00148	0.8
87.00886	2.0
88.45385	0.7
89.02444	17.5
95.01390	5.6
97.02938	1.8
99.00888	10.0
101.02441	52.8
111.00941	1.4
113.02447	32.6
119.03499	5.7
125.02441	3.3
131.03508	20.5
143.03516	2.8
149.04501	1.3
158.20784	1.0
159.02986	7.2
161.04576	31.3
165.22968	0.8
176.75929	0.9
239.16481	1.5
401.25494	80.3
427.96832	0.8
445.24432	5.9
533.29742	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.4
57.03458	6.2
58.00603	0.9
59.01384	100.0
61.98836	2.5
65.21275	0.9
67.68166	1.1
71.01381	50.2
72.99329	1.9
73.02959	12.9
78.39026	0.9
83.01405	5.2
85.02949	20.5
87.00877	1.7
89.02442	36.0
95.01392	2.1
96.96014	2.2
97.02955	1.3
99.00879	7.8
101.02441	37.3
111.00876	2.1
113.02445	20.6
119.03477	10.3
125.02435	2.5
129.01903	1.8
131.03481	12.7
136.05321	4.0
143.03517	1.8
149.04543	8.7
149.06131	1.0
159.03003	4.7
161.04579	12.9
161.15671	1.1
165.09207	3.9
179.05585	4.5
190.94893	1.7
191.05606	8.1
228.84586	1.1
251.07501	1.1
265.14404	1.3
269.95270	1.1
337.20187	1.3
371.28021	4.5
401.25485	38.2
533.30127	31.7
593.26526	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	593.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.9
55.96952	1.2
57.03454	7.7
59.01383	97.0
61.98836	2.7
71.01379	59.2
73.02948	19.2
83.01399	10.6
85.02941	35.5
86.61044	1.6
87.00864	3.7
87.04480	1.6
89.02454	10.1
95.01376	3.4
97.02888	1.6
99.00880	7.6
101.02429	41.3
113.02444	31.8
114.23793	1.7
157.12337	2.5
161.04567	20.3
371.28064	70.6
400.24365	2.2
401.25226	7.1
489.34354	2.3
533.33405	100.0
600.70239	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	593.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74293	0.8
51.45914	0.8
52.04526	0.9
57.03474	1.4
59.01387	44.0
69.03485	1.0
71.01384	23.8
72.99337	1.0
73.02951	3.9
83.01419	1.1
85.02966	8.4
87.00887	1.6
87.24392	1.1
88.98792	7.1
89.02438	17.5
92.10134	1.2
93.03495	1.0
95.01399	1.8
96.96012	3.7
99.04514	50.9
101.02446	15.3
107.05072	1.4
111.04551	1.2
113.02451	13.3
119.03490	7.2
121.06596	2.1
131.03531	1.3
136.01694	4.8
143.03479	1.1
151.04021	7.1
153.09261	0.9
160.63599	1.2
161.04578	4.5
179.05627	5.2
185.06093	1.2
189.12881	16.0
207.13945	51.6
210.56180	1.1
227.07188	6.6
231.13945	1.7
233.11975	1.3
251.12901	100.0
255.03055	2.2
269.04510	1.2
283.15536	1.5
284.03345	4.4
285.04028	4.0
293.04657	14.8
293.13943	1.6
311.05774	1.5
357.13385	2.4
413.08951	3.8
413.18201	17.2
431.19193	34.4
593.14941	5.6
593.24481	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03455	1.8
58.00602	1.4
59.01385	84.2
63.55321	1.0
64.69087	0.8
69.03481	1.0
69.37900	0.9
71.01382	43.4
72.99306	2.2
73.02959	3.9
83.01395	4.0
85.02949	12.3
89.02438	35.7
93.03413	0.9
95.01398	5.3
96.96016	1.7
99.04516	47.0
101.02448	21.4
102.68113	1.1
106.25634	1.0
111.04548	2.4
113.02451	23.1
115.07659	1.6
119.03491	10.7
122.03698	1.2
125.02478	1.1
127.38630	1.1
131.03453	1.7
149.04637	1.0
161.04575	3.9
179.05643	2.3
183.42458	1.0
189.12848	19.2
207.13933	65.4
217.35367	1.2
227.03526	6.4
229.05077	1.5
231.13913	7.2
233.11778	1.2
251.12907	100.0
252.98447	0.9
255.03046	15.4
257.04495	1.3
275.12820	1.9
284.03326	15.5
285.04086	24.8
293.14029	4.6
353.15866	1.2
354.92911	1.1
413.18155	18.9
431.19250	97.7
533.26031	1.1
543.95685	1.2
593.15210	12.2
593.25183	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	593.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.4
57.76683	0.5
59.01393	2.0
59.94874	0.5
71.01389	7.4
73.02953	1.2
75.53278	0.4
83.01419	1.1
85.02959	3.5
87.00887	0.8
93.03465	0.8
96.96015	9.7
99.00858	0.6
99.04511	0.7
101.02451	5.4
108.02185	10.5
109.02969	6.1
113.02439	3.7
121.02947	2.0
122.03744	100.0
123.04538	14.4
125.02420	3.6
135.04512	1.0
137.02429	2.0
137.06120	1.8
147.04527	0.7
149.02510	0.6
150.03215	0.6
151.03976	0.6
152.01180	8.9
153.01961	3.2
159.02954	0.8
161.04579	7.7
165.05597	3.4
167.03487	1.1
177.01950	3.6
177.05536	0.7
205.03484	0.5
210.22806	0.6
285.09821	3.4
305.06558	0.7
315.07239	9.7
329.08826	26.1
407.07980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42724	1.8
51.64240	1.5
58.00625	2.5
59.01391	95.4
63.98341	1.8
66.27374	2.2
66.55842	1.8
71.01382	45.6
71.14413	2.2
72.99294	3.1
73.02962	3.0
79.02591	2.0
83.01382	3.6
85.02950	21.1
89.02455	34.6
92.90788	2.2
93.03444	2.4
95.01379	4.6
96.96020	3.4
99.04513	51.1
101.02435	27.1
107.01434	3.4
113.02474	20.7
119.03484	10.1
121.06563	2.7
126.40203	2.3
130.78052	1.9
135.00772	2.0
143.98087	2.2
151.00386	2.5
187.04042	3.3
189.12837	16.4
199.04022	3.7
207.13953	56.1
211.03981	2.5
211.67911	2.2
218.91656	2.8
227.03552	49.6
229.05006	17.6
231.13875	10.0
233.11716	2.5
239.03424	4.0
251.12909	90.8
255.02986	90.5
256.03812	3.9
257.04483	10.5
275.13013	3.5
284.03268	82.5
285.04062	100.0
297.96884	2.7
308.47989	2.1
309.03958	2.2
413.18155	14.9
431.19104	97.4
566.49268	2.1
593.15387	78.0
593.24573	8.9
594.16016	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	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98119	0.4
52.50584	0.3
53.13516	0.4
59.01395	2.0
63.02421	0.8
65.00329	0.5
71.81256	0.4
83.01405	0.9
89.02471	0.8
93.03483	0.6
101.02439	0.6
107.01407	3.4
109.02930	0.4
132.02127	0.7
133.02962	2.3
134.03825	0.5
149.02493	0.6
151.00410	5.5
163.00374	1.1
175.03955	2.1
183.04515	0.4
185.06110	0.8
187.04065	0.9
189.05612	0.6
199.04012	2.6
211.04059	1.1
217.05104	0.5
227.03551	28.5
228.04155	1.0
229.05084	3.3
239.03461	1.7
241.05130	0.8
251.12852	0.9
255.03035	50.0
256.03839	5.7
257.04636	2.5
283.02744	0.9
284.03320	100.0
285.04099	77.9
327.05106	0.8
447.08963	1.6
593.15289	75.5
594.15485	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07361	0.6
51.86581	0.6
57.03456	5.7
59.01387	6.9
63.74723	0.5
69.03467	1.1
71.01373	7.7
73.02959	3.2
75.85960	0.7
83.01387	1.5
85.02969	2.5
86.52157	0.7
89.02426	5.7
93.03461	1.7
95.01378	1.0
96.95994	5.5
97.02970	1.0
99.00870	0.8
101.02436	0.8
107.05038	1.2
108.02175	82.0
109.02957	15.2
113.02485	0.9
121.02998	1.5
121.99738	0.7
123.04507	1.6
124.01649	1.5
125.02442	39.4
131.03529	0.8
133.02959	1.1
135.04524	1.2
137.02429	9.4
139.04019	4.3
149.02458	3.3
151.04051	4.8
152.01160	100.0
153.01903	3.9
159.04514	0.9
161.02443	6.7
161.04555	0.8
163.03973	6.0
164.01120	1.4
165.01901	4.1
166.55115	0.7
167.03474	5.5
175.04001	5.5
177.01967	9.4
177.05705	1.0
178.02411	0.8
179.03442	3.5
205.01280	0.7
210.49846	0.6
217.05122	0.9
219.06583	0.8
221.04570	1.3
221.46448	0.7
223.00601	0.7
243.03023	2.8
245.04482	1.2
255.02922	6.2
256.03766	1.5
257.04541	1.1
258.36929	0.8
269.04517	0.9
283.02524	2.8
287.05634	1.3
289.07123	3.5
297.04010	2.7
305.06705	11.1
314.23325	0.8
347.50885	0.7
407.07657	1.2
423.07202	12.4
425.08887	1.1
441.07996	1.3
467.10004	3.3
593.17383	68.0
594.16882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1524
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
59.01385	4.3
71.01390	1.3
81.71688	0.6
85.02932	0.7
87.00877	0.9
89.02451	1.0
91.05531	1.2
93.03469	3.5
95.01424	0.7
96.95961	0.7
97.02958	0.8
101.02460	0.8
109.02961	3.6
117.03477	11.2
119.05029	3.5
123.04490	1.0
125.02443	4.6
127.98028	0.7
133.06599	0.8
135.04561	4.9
137.02480	1.2
147.04530	1.6
149.02446	1.2
149.06122	1.0
151.03972	1.4
159.04518	1.2
161.02489	5.2
161.06152	1.2
163.04010	2.8
163.75705	0.7
167.03497	1.0
175.04024	4.3
177.01945	1.5
177.05595	3.7
178.02542	0.6
179.03558	1.2
187.03969	0.9
189.01938	3.2
191.03557	1.3
198.06813	0.7
203.03490	2.9
205.05147	1.6
217.05112	0.8
233.04323	0.7
237.25476	0.6
245.08165	0.9
255.29225	0.8
267.06631	1.4
268.07523	2.4
281.04593	1.0
282.05411	4.4
283.06174	5.3
289.07254	5.1
295.06204	9.1
296.06818	5.3
297.07724	42.3
307.06244	5.0
309.07736	3.4
311.05600	5.3
323.05661	6.0
324.06287	0.8
325.07208	17.3
328.05887	6.4
335.05832	3.3
337.07254	3.4
353.06735	69.2
355.08301	0.7
356.05383	2.5
365.06656	8.9
383.07813	36.2
395.07794	4.5
406.50089	0.8
413.08804	3.3
421.61136	0.8
425.08932	1.3
455.10440	1.2
473.11014	14.3
503.12262	3.3
593.15283	100.0
594.15814	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	593.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83065	0.4
57.41863	0.3
59.01126	0.5
59.01385	14.1
63.43406	0.4
63.86230	0.4
67.07018	0.3
67.10584	0.4
67.96553	0.3
69.48071	0.3
71.01381	5.8
82.07021	0.4
83.01414	0.4
85.02933	0.5
89.02441	4.1
101.02443	2.6
106.93137	0.4
113.02464	0.6
117.03464	13.4
119.03493	0.4
126.96124	0.4
131.01393	1.7
161.02452	0.5
163.03970	0.7
173.02415	6.8
175.00372	11.4
191.03593	0.5
197.06181	0.4
249.05577	0.6
265.05093	0.7
269.04559	1.0
281.04572	1.8
282.05295	0.5
283.06036	3.1
293.04602	100.0
294.04922	2.2
295.06097	0.5
309.04092	0.7
311.05698	6.1
323.05627	2.0
335.05664	0.7
341.06558	0.5
344.01089	0.4
413.08838	34.8
473.10751	0.9
593.15137	17.8
624.99292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93663	0.1
56.45694	0.2
59.01381	2.3
61.98843	0.3
63.02399	1.8
65.00346	1.0
68.24258	0.2
74.06865	0.2
81.25298	0.2
83.01407	1.2
85.02967	0.3
85.35884	0.2
89.02451	0.7
93.03447	0.3
99.04543	0.2
101.02451	0.3
107.01393	3.5
109.02985	0.9
113.39919	0.2
119.03519	0.3
121.02938	0.4
125.02474	0.4
132.02223	0.8
133.02946	4.4
133.03865	0.3
134.03743	0.8
135.00908	0.4
137.02463	0.2
143.05057	0.2
145.03047	0.3
149.02405	1.8
151.00380	6.4
153.01924	0.2
159.04524	0.3
163.00432	1.0
169.01382	0.8
171.04529	0.4
174.03215	0.2
175.04018	2.0
177.01950	0.2
183.04526	1.1
184.05333	0.3
185.02464	0.3
185.06151	1.4
187.03987	1.5
189.05637	0.3
195.04567	0.3
197.06073	0.7
198.03308	0.2
199.04041	2.3
200.04865	0.2
201.01971	0.3
201.05666	0.3
211.04037	2.4
212.04784	0.2
213.05612	0.8
215.03598	0.7
217.05133	1.4
223.04236	0.2
226.02618	0.2
227.03537	24.0
228.04082	0.8
229.05084	3.0
239.03372	1.3
240.04253	0.4
241.05119	1.3
243.02971	0.7
251.12971	0.7
255.03026	40.7
256.03766	5.6
257.04703	1.8
265.86899	0.2
267.02991	0.8
269.04636	0.2
283.02490	0.9
284.03308	100.0
285.04083	88.4
286.04410	1.1
309.04059	0.3
327.05289	1.6
357.06357	0.2
429.08154	0.4
431.19168	0.4
447.09537	1.4
593.15240	73.6
594.15588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62028	0.2
53.88747	0.2
53.98054	0.2
57.03447	0.4
59.01385	6.4
61.98836	0.4
72.49644	0.3
72.62359	0.2
80.55037	0.2
83.05029	0.4
85.02963	0.2
86.09598	0.2
109.06581	0.2
120.02158	1.0
121.02954	100.0
152.03140	0.2
165.01990	2.6
169.12445	0.3
180.05836	0.5
181.06613	3.7
197.06082	2.9
207.04579	0.8
207.08138	0.3
209.04578	35.3
217.12277	0.2
223.03981	0.3
225.05690	1.6
251.07094	0.3
257.09720	0.5
285.97238	0.2
313.07230	1.6
357.06030	0.4
383.07861	0.3
417.09830	1.0
450.08328	0.2
459.95044	0.3
505.11581	2.4
533.30304	0.2
549.10419	5.3
593.13129	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
63.23158	0.7
66.84572	0.8
78.99309	0.8
79.55345	0.8
82.66214	0.8
92.10176	1.0
103.19306	0.9
103.27132	0.9
107.01371	1.0
109.02929	3.7
116.42680	0.8
119.05013	1.5
131.01337	1.1
133.02931	29.1
140.85733	1.0
147.04524	1.4
149.02438	1.4
150.67291	1.0
163.00287	3.7
163.03957	4.1
165.01845	1.6
173.02409	3.9
175.00330	11.7
175.03973	4.1
177.01929	1.2
191.03583	1.1
193.01421	1.9
199.04120	1.5
201.01941	2.0
225.05611	1.2
231.54529	0.9
237.05496	2.2
241.05109	1.1
253.05060	1.1
255.06523	1.1
265.05026	3.8
267.02835	1.4
269.04532	1.7
284.03214	11.0
285.04123	10.7
297.04016	25.0
298.04843	20.7
299.05560	24.5
309.04037	91.4
310.04260	1.3
311.05646	2.2
324.02542	1.2
327.05106	100.0
328.05609	1.7
339.05035	5.5
341.83136	1.0
357.06161	44.3
359.70639	1.1
369.05981	2.2
381.23743	1.0
393.06046	1.2
429.08292	19.8
449.10822	1.1
473.10904	20.7
530.25232	1.0
593.05811	1.8
593.15186	49.1
594.15491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.1
59.01383	2.1
59.58260	0.4
68.45117	0.4
72.99301	28.6
75.00894	0.5
87.00857	0.5
91.05525	25.0
97.68733	0.4
107.05009	0.6
115.05534	3.2
117.03455	9.2
125.02438	0.7
130.38261	0.4
131.05028	7.8
133.06615	6.3
135.04526	2.2
147.04538	0.8
149.06090	68.5
159.04488	0.4
163.04019	18.7
177.05583	18.2
179.03484	4.2
191.05655	1.7
193.05069	0.9
195.06653	0.9
227.01501	0.4
235.76147	0.5
239.05627	100.0
313.79440	0.4
374.63785	0.5
382.21228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05639	0.3
59.01389	1.9
63.02422	0.6
65.00330	0.5
83.01401	1.4
93.03461	1.8
99.04506	0.5
107.01388	3.3
109.02964	0.7
109.61582	0.4
117.03416	0.6
131.05063	0.4
132.02200	1.8
135.00887	2.6
137.02390	0.4
143.05051	1.4
151.00377	3.6
153.01898	0.5
157.06564	1.3
159.04445	2.6
161.45091	0.3
163.00389	4.9
164.01137	0.6
165.01903	0.5
167.05045	0.8
169.06604	1.4
171.04541	1.4
178.99883	0.4
183.04558	1.5
185.06073	4.0
187.03981	5.0
189.05586	1.3
195.04507	1.5
196.05347	0.4
197.06093	1.5
199.03986	1.6
200.04733	0.7
201.05547	0.8
207.13947	0.5
211.04037	4.7
212.04851	0.6
213.05563	3.1
223.04143	0.4
227.03516	50.1
228.04044	1.3
229.05058	20.0
230.05571	0.5
239.03473	3.5
240.04376	1.6
241.05101	2.3
243.02928	0.4
251.12964	2.5
255.03006	83.4
256.03705	5.5
257.04578	9.5
267.03082	1.5
284.03290	85.0
285.04068	100.0
286.04443	1.8
327.05255	1.2
340.05292	0.4
413.18298	0.4
431.19296	0.8
593.15234	73.6
594.15466	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.8
59.54070	0.9
77.92418	1.2
81.03458	2.2
83.01392	5.7
84.53185	1.2
93.03457	5.9
95.05026	1.4
96.96011	1.8
97.02942	5.3
107.05016	1.4
107.99525	1.1
109.02952	22.3
121.02969	11.4
123.04527	17.5
125.02441	93.7
133.02936	2.6
135.04538	2.0
137.02441	22.7
138.03185	1.4
139.04053	4.0
149.02460	16.8
151.04022	16.1
159.04465	5.9
160.05222	1.2
161.02452	2.1
161.06058	2.7
162.03191	1.5
163.04002	2.3
164.01140	5.3
165.01920	4.6
167.03464	2.0
174.03120	1.4
175.03964	12.9
177.01933	100.0
179.03479	4.8
185.06071	1.6
187.04092	10.7
188.04784	1.4
203.07149	10.9
205.05074	11.0
215.03439	1.9
217.04973	2.3
227.07150	2.0
229.05005	2.5
229.26923	1.5
243.02815	4.0
245.08208	12.5
255.02954	13.8
256.03821	5.1
257.04575	1.8
261.04059	1.9
269.04645	1.6
273.04025	6.7
281.04465	2.6
285.04080	2.3
289.07196	47.4
297.04062	1.9
303.05118	7.1
305.06488	1.8
339.08740	2.0
379.98270	1.2
407.02582	2.4
407.07739	49.9
425.08887	23.7
467.10031	4.7
593.13239	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	593.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88991	1.1
57.03455	13.6
59.01391	4.6
63.18153	0.7
69.03465	1.1
71.01377	4.1
81.03472	3.0
83.01377	6.6
83.05044	0.8
93.03468	3.5
95.01397	0.7
95.05025	3.8
96.96033	3.2
97.02951	3.0
101.02451	1.1
102.93421	0.8
109.02955	18.2
111.04513	1.4
113.02454	1.2
119.05064	0.9
121.02962	6.5
123.00900	0.9
123.04515	11.3
124.01685	1.3
125.02444	100.0
129.60985	0.7
133.02953	3.4
135.04547	1.7
137.02449	29.8
139.03989	10.5
145.02942	0.9
149.02444	8.5
149.05957	0.9
150.03294	0.8
150.33855	0.8
151.04028	11.7
158.03821	1.2
159.04549	1.7
161.02489	12.8
161.06041	2.0
162.03203	0.9
163.00377	1.4
163.03976	1.5
164.01151	5.8
165.01944	10.6
167.03520	8.4
173.06120	0.8
175.04008	8.6
177.01949	49.2
177.03493	1.7
177.05551	1.5
179.03490	6.9
187.04120	5.7
188.04800	0.9
197.08206	1.4
199.03981	1.3
203.03546	1.9
203.07230	5.9
204.04192	1.1
205.01439	1.7
205.05048	2.0
211.04033	1.1
217.05046	2.0
219.06760	6.4
221.04507	3.1
221.08171	1.1
229.05019	3.2
243.02968	4.2
245.04466	1.5
245.08241	5.2
255.03024	8.8
256.03726	1.9
257.04388	1.3
261.07764	1.1
269.04614	1.9
273.03998	4.6
281.04623	1.7
283.02420	4.5
285.04041	1.5
287.05600	1.7
289.07263	19.4
297.04193	3.0
303.05057	3.1
305.06693	24.0
327.05194	1.4
339.08795	1.3
407.07837	15.9
423.07315	18.7
425.08771	7.7
431.16110	1.1
441.08475	1.5
467.10016	7.3
593.13379	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	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	16.9
62.00276	0.9
64.32990	0.9
79.99052	1.0
81.03485	1.2
81.21955	0.9
83.01394	6.1
93.03507	1.8
94.57964	1.0
95.01403	1.0
95.05032	2.0
97.02956	4.6
105.03468	1.3
107.05043	1.7
108.02184	2.1
109.02954	21.8
111.04529	2.5
121.02946	5.6
123.00903	1.7
123.04536	11.4
124.01663	5.0
125.02439	100.0
131.05045	1.9
133.02954	2.2
135.04541	1.6
137.02443	25.9
138.03294	1.2
139.04013	10.6
147.04628	1.5
149.02448	9.6
151.04016	15.9
152.01164	2.3
159.04530	4.4
160.05322	1.2
161.02463	9.7
161.06044	2.5
162.03140	1.2
163.00392	1.3
163.04062	4.5
164.01167	6.6
165.01906	16.1
167.03525	10.9
173.06099	1.1
175.04037	15.1
175.07680	1.4
176.01157	1.3
177.01932	45.2
177.05498	2.0
179.03545	7.4
180.51883	1.1
187.04016	8.5
188.04810	1.6
199.03975	1.3
201.05713	2.4
203.03459	2.0
203.07164	5.8
205.01503	3.9
205.04948	1.7
211.04027	1.8
213.05510	1.2
215.03532	2.2
217.04999	2.1
219.06625	5.7
221.04539	2.0
227.03590	1.3
229.04990	4.5
243.03014	4.7
243.06621	1.2
245.04526	3.4
245.08186	5.9
255.02994	18.8
256.03915	7.6
257.04688	2.3
269.04581	1.7
273.04114	1.7
281.04465	1.7
283.02487	5.5
285.04019	2.4
287.05527	1.6
289.07202	20.7
297.04037	2.0
299.05573	1.3
303.05212	1.4
305.06668	26.5
407.07794	28.4
423.07260	27.1
425.08890	12.7
441.08646	2.0
467.09506	8.1
593.13116	2.3
593.32660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.9
56.23659	0.9
57.03455	7.3
58.00605	1.9
59.01387	100.0
61.98838	1.1
69.86415	0.9
71.01382	50.6
72.99300	1.1
73.02945	16.8
75.00887	1.0
83.01390	9.2
85.02956	28.2
86.00089	1.5
87.00887	14.2
89.02442	20.9
91.46865	1.1
95.01407	3.9
99.00897	8.5
101.02448	39.1
111.00920	1.8
113.02479	20.6
119.03493	7.6
125.02453	2.0
131.03499	10.5
136.01680	1.2
143.03526	2.0
144.44724	1.0
149.04596	3.7
151.04004	1.5
159.03023	2.1
161.04564	14.6
167.14346	1.8
173.57513	1.0
179.05563	1.3
191.05566	1.3
201.33833	1.0
213.56203	1.2
255.16025	2.0
305.16489	1.8
343.15439	3.9
369.26517	25.4
385.22134	1.2
388.60199	1.0
399.23889	42.4
409.04138	1.0
441.28714	7.0
443.23157	1.1
508.91641	1.0
531.31531	26.3
554.98456	1.1
564.04791	1.1
589.91998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49658	0.9
55.01896	1.0
57.03472	1.6
58.00603	2.1
59.01394	100.0
69.96899	0.9
71.01389	47.3
71.01775	1.6
72.99345	1.4
73.02946	7.1
83.01416	1.3
85.02962	13.1
87.00931	1.4
89.02445	62.0
97.02940	1.4
99.00900	5.9
101.02448	26.2
104.05769	1.0
113.02451	13.1
119.03506	9.0
125.02432	1.5
129.01971	1.7
131.03502	57.2
143.03537	1.4
149.04562	36.7
161.04594	4.8
168.50606	1.1
173.04550	1.2
179.05634	8.8
191.05646	32.9
221.06644	2.4
249.75348	1.0
251.07785	5.0
311.09839	1.8
363.95190	1.0
399.23935	15.4
531.27423	10.2
556.39862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.3
57.03458	4.7
59.01386	86.8
62.97951	0.8
63.69649	0.7
69.03460	1.0
71.01379	63.7
73.02943	21.1
83.01397	14.0
84.83878	0.9
85.02950	38.2
87.00910	3.0
88.98818	1.0
89.02444	13.3
95.01380	8.2
96.96019	1.9
97.02911	1.5
99.00856	11.6
101.02439	53.5
111.00853	1.1
113.02449	32.1
119.03513	1.9
125.02448	1.7
131.03502	24.8
143.03499	4.5
159.03020	6.5
161.04555	32.5
172.35277	0.9
181.12392	0.9
183.10286	1.2
243.12439	1.0
279.94681	1.0
399.23911	100.0
404.88461	0.9
443.22748	1.4
460.20901	1.0
531.28186	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2623
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.01386	2.7
61.98819	0.6
64.34875	0.6
74.06060	0.5
91.89382	0.6
106.06647	1.0
113.87268	0.6
116.92848	1.2
121.24592	0.7
136.92607	0.6
176.67061	0.7
416.20248	0.8
443.22409	2.8
445.20065	1.2
455.22629	0.8
459.22012	4.1
462.20847	0.8
471.25812	3.2
472.22983	2.9
473.23239	0.9
482.21155	1.5
485.19839	4.0
487.24942	4.1
497.23410	4.6
499.21417	5.7
500.22324	17.3
514.24438	0.9
515.24597	100.0
516.24774	3.2
559.23285	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	591.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	2.2
57.03456	2.1
58.00616	0.9
59.01386	100.0
61.98854	1.0
62.01804	0.8
67.38317	0.8
71.01385	59.0
71.99907	0.8
72.99332	2.0
73.02951	14.3
82.09849	0.7
83.01415	5.4
85.02952	21.4
85.03381	1.1
87.00871	1.4
89.02449	47.2
93.22840	0.9
95.01420	1.1
96.96015	1.7
99.00890	9.0
101.02447	39.8
101.03083	1.6
107.30380	0.9
111.00943	1.3
113.02454	14.7
119.03501	4.2
125.02481	1.6
129.01952	1.6
131.03505	27.4
140.62286	0.8
143.03519	1.1
145.80580	1.2
146.46851	0.9
149.04575	27.2
159.03073	1.5
161.04517	6.7
191.05653	14.4
199.31053	0.9
206.47478	1.0
221.06752	2.2
237.14928	1.3
237.18742	1.3
251.07742	1.2
311.09915	1.7
320.73795	1.1
353.62323	1.0
376.24973	1.0
399.23935	44.3
531.28314	27.1
591.30469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.01649	4.3
62.33047	2.5
64.28181	2.6
66.12225	2.9
71.01373	51.0
71.46601	3.0
85.02958	14.6
86.89407	3.2
89.02423	48.3
95.01337	4.0
99.04546	5.7
101.02431	15.5
113.02435	27.4
119.03497	16.2
157.31082	3.0
161.04521	4.1
161.13396	21.7
179.05579	5.3
187.11217	37.8
199.09798	5.1
205.12349	49.4
229.12210	4.4
249.11368	50.6
265.62726	3.0
291.12604	4.4
304.78827	3.3
411.16537	15.9
429.17575	50.4
591.23358	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	591.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
57.03463	1.2
58.00620	0.6
59.01385	33.6
60.57523	0.4
61.98838	1.1
64.60598	0.5
71.01383	20.1
73.02945	7.6
83.01412	3.5
83.04996	0.5
85.02945	10.0
87.00879	0.6
88.98814	0.7
89.02444	11.3
93.03486	0.7
95.01379	2.6
96.96012	0.9
97.02953	0.6
99.00876	4.0
101.02443	16.7
109.02982	3.9
113.02454	9.8
116.92854	0.9
119.03513	2.4
121.02962	14.1
122.03741	10.1
123.04528	3.9
131.03503	7.2
135.04521	3.3
136.05301	1.0
137.02480	2.4
137.86922	0.5
143.03493	0.8
149.04514	1.2
149.06105	0.9
154.02631	1.0
159.03021	0.9
161.04567	7.0
161.06068	2.9
161.35994	0.5
163.04051	2.1
173.06093	0.6
177.05644	0.7
181.08801	0.6
186.82539	0.5
190.06381	2.8
191.05537	1.8
191.07161	5.6
223.17052	9.3
237.15112	0.6
267.16000	7.7
299.12906	2.0
313.10840	3.2
315.84836	0.5
327.12366	1.8
328.13208	39.6
343.15555	100.0
344.15985	1.0
369.22925	3.6
399.23941	28.8
429.21423	0.8
443.23001	0.9
531.28448	17.3
550.78113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84582	1.5
54.23356	1.3
57.43966	1.7
58.00574	2.8
58.09072	1.5
59.01377	100.0
65.58086	1.5
68.49474	1.5
71.01371	46.6
72.99275	2.4
81.48129	1.7
85.02950	11.1
89.02428	47.4
92.10799	1.9
92.13104	1.8
92.69841	1.7
95.01415	2.1
99.04500	13.8
101.02426	26.3
113.02431	22.9
119.03452	13.6
120.05812	2.5
121.02932	2.7
127.90425	1.7
161.13341	23.8
165.01886	2.6
179.05585	10.3
187.11279	30.2
203.78491	1.7
205.12328	44.5
229.12213	2.4
231.10281	3.0
247.74452	1.7
249.11310	71.1
257.37576	1.7
266.71320	2.2
291.12476	3.0
303.21399	2.1
385.18713	2.9
411.16592	17.9
429.17624	72.1
435.63297	2.3
440.14545	2.1
591.22803	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	589.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.2
57.03447	1.1
58.00612	1.2
59.01385	53.9
61.98846	1.0
64.10923	0.6
66.49878	0.6
66.93376	0.7
71.01379	31.0
73.02948	6.6
79.00742	0.7
83.01385	3.5
85.02949	11.9
87.00880	3.4
89.02438	21.0
92.10774	2.4
95.01395	3.3
97.02950	1.5
97.38667	0.6
99.00858	7.9
101.02440	22.6
112.34039	0.8
113.02446	4.8
113.12498	0.7
119.03471	1.5
123.08154	0.8
125.02404	3.2
127.93301	0.7
129.01941	1.9
131.03497	40.6
153.10960	0.9
187.52991	0.7
191.05669	12.4
223.17039	4.1
277.21719	10.6
295.22818	9.7
445.18762	0.7
457.28082	12.4
529.30194	1.7
589.32404	100.0
590.32477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82760	0.7
55.63870	0.6
57.03467	4.1
59.01385	1.1
61.73335	0.6
62.00149	0.6
64.42670	0.6
69.03455	0.8
78.50416	0.6
81.03452	6.5
83.01385	6.0
83.10796	0.6
89.93461	0.7
93.03454	3.0
95.05029	7.2
97.02958	8.5
102.98608	0.8
108.02226	3.7
109.02216	1.5
109.02961	39.3
121.02957	5.3
122.03768	1.2
123.04522	29.3
125.02441	25.5
135.04547	4.5
137.02461	14.8
138.01993	3.0
138.03279	0.8
139.04059	7.4
143.96101	0.8
145.02954	1.4
146.03746	2.9
147.04544	1.0
149.02437	8.4
149.06093	0.8
150.03235	1.7
151.04028	15.3
157.06567	0.9
159.04485	5.9
160.05281	1.3
161.02470	1.4
161.06097	7.9
162.03207	1.1
163.04044	1.6
164.01212	5.8
165.01950	5.7
166.02638	0.7
167.03546	1.3
173.06079	1.2
175.04018	4.7
175.07681	2.8
179.03499	7.9
181.44257	0.8
185.06123	1.1
186.06812	0.8
187.04002	7.1
188.04779	5.4
199.07677	0.8
202.06395	3.1
203.07167	17.5
205.05099	11.4
212.04768	1.0
217.08690	1.1
221.08237	5.4
227.07060	3.1
230.01683	1.0
231.70486	0.7
245.08221	21.3
247.06201	0.7
271.06061	1.3
289.07211	100.0
290.07520	3.5
299.15097	2.7
300.15363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
59.01384	2.0
62.84815	0.2
71.01374	2.0
73.02941	0.4
78.95893	2.5
79.95744	1.4
83.01392	0.3
85.02950	0.5
89.02426	0.4
96.96008	100.0
96.96896	4.4
98.95586	1.1
101.02422	1.9
103.04018	0.3
104.62557	0.3
113.02460	0.3
117.34398	0.4
161.04489	0.3
170.35089	0.3
221.10344	1.5
364.18790	0.3
367.16351	1.1
460.11414	0.3
529.21301	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	589.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50887	2.0
50.90710	1.7
52.65664	1.5
54.82970	1.8
57.03452	14.8
59.01380	88.6
66.28129	1.9
66.43501	2.1
69.03474	2.5
71.01384	34.9
73.02934	2.8
79.39612	2.1
83.01395	8.8
85.02947	10.6
89.02452	26.7
91.97364	2.5
93.03425	2.2
95.01378	4.1
95.05022	2.8
96.95994	68.8
97.02918	3.5
100.39558	2.2
101.02419	16.9
109.02938	2.1
113.02452	12.7
119.03516	8.7
121.02941	3.9
123.00867	2.1
125.02422	47.4
137.02417	45.6
137.09637	2.1
139.03943	2.8
151.04088	2.5
164.04750	9.2
165.01918	29.9
167.03484	14.9
173.06009	4.1
177.01944	2.8
179.07080	4.5
185.06027	10.5
187.07645	3.1
188.04784	3.2
197.06013	3.5
199.04008	4.0
199.09798	2.3
200.04794	4.5
201.05499	4.0
201.11337	5.3
213.05544	16.3
215.07150	73.9
217.05069	10.8
225.05515	8.9
227.03481	4.7
237.05617	3.1
241.05136	19.2
242.05792	2.6
243.06599	67.9
246.41759	2.2
255.06628	3.7
265.04999	5.2
271.06155	10.5
285.03937	4.3
301.16522	3.2
303.05295	3.8
305.08359	3.8
323.09070	3.9
338.61520	2.6
347.09091	4.2
391.08304	3.0
409.09344	12.7
423.12692	2.9
451.12247	13.7
463.12384	4.8
571.14075	19.8
589.15674	100.0
590.16339	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	589.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83210	0.2
54.84246	0.1
55.01888	0.1
59.01382	2.8
71.01383	1.7
73.02930	0.5
78.95902	4.1
78.96324	0.2
79.95737	2.5
83.01373	0.2
84.51068	0.1
85.02945	1.1
85.18280	0.1
89.02453	0.8
96.96008	100.0
96.96896	5.2
101.02450	1.7
113.02438	1.0
116.92836	0.2
125.02451	0.2
130.22089	0.1
131.03455	0.7
149.04541	0.1
159.02921	0.1
161.04555	0.3
181.08910	0.1
194.24643	0.1
201.07855	0.1
221.15495	0.3
290.06195	0.2
384.17944	0.1
397.22470	1.8
485.31799	0.4
529.26880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
58.00606	0.9
59.01385	45.1
61.03819	1.3
61.25830	1.1
61.98837	1.8
66.45766	0.9
67.07243	0.9
71.01381	23.3
71.05017	1.0
73.02975	4.3
73.43030	1.0
78.02153	0.9
83.01390	2.2
83.05033	2.0
85.02950	8.0
87.00875	1.3
89.02433	20.3
99.00887	1.9
99.04516	25.8
101.02431	18.3
109.06607	1.2
113.02434	7.4
119.03488	4.9
120.46978	1.1
123.04520	1.2
131.03481	7.0
132.27951	1.0
149.04543	4.8
161.04576	5.8
170.95802	1.1
179.05658	1.6
191.05669	1.6
203.14455	13.8
221.15462	58.9
233.64723	1.0
247.13380	4.6
265.14441	100.0
289.14514	1.5
307.15457	2.4
397.22263	11.5
418.00443	1.3
419.60440	1.2
427.19830	18.1
481.01953	1.1
485.31238	6.0
529.26581	7.4
529.33740	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	589.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82489	0.7
55.01904	1.8
55.45966	0.8
57.03466	2.3
57.07442	0.8
59.01384	100.0
61.98838	4.7
71.01381	42.2
71.01769	1.2
72.99331	1.6
73.02954	5.4
74.79625	0.8
75.00890	0.9
77.09917	0.8
78.95927	1.5
80.53743	0.8
82.95437	1.4
83.01387	2.2
83.05054	0.8
85.02946	14.9
87.00912	4.0
88.68009	1.0
89.02439	44.2
97.02929	1.0
99.00877	3.8
101.02441	31.9
101.20990	1.1
113.02456	13.7
119.03496	14.2
125.02436	1.7
131.03510	24.9
136.05304	2.2
137.09734	0.9
143.03548	1.8
149.04552	5.9
157.08688	3.7
161.04550	9.6
165.09206	5.8
179.05586	8.5
191.05569	8.4
209.11839	5.9
251.20213	1.0
318.27347	0.9
323.18790	1.9
397.22360	29.1
398.22885	1.1
529.26257	19.7
589.26471	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	587.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59005	1.6
54.79709	1.6
56.65801	1.6
57.03458	3.4
57.25354	1.6
57.95400	2.0
59.01382	66.6
61.98832	27.1
61.99061	1.5
64.25645	1.7
69.03471	2.9
71.01376	36.4
71.43050	1.8
73.02937	4.5
83.01411	1.9
83.05042	4.7
85.02967	12.8
89.02448	38.5
97.02948	4.2
99.04518	23.8
101.02450	11.3
109.02966	2.4
113.02498	7.5
116.92896	10.4
121.06555	2.4
123.08127	3.5
125.02417	9.5
131.03488	16.3
149.04562	14.2
156.00739	2.0
191.05592	8.2
233.06644	2.3
233.15491	100.0
267.16235	2.3
293.08746	25.5
342.64108	2.2
414.07547	2.2
587.29578	3.4
588.23828	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	587.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.7
59.01386	34.1
61.98830	11.7
71.01376	10.7
72.69146	0.8
72.99318	1.0
73.02967	4.8
83.01429	1.0
83.05062	1.2
85.02966	3.9
86.38459	0.8
89.02449	9.5
101.02441	9.6
113.02496	2.1
116.92868	1.5
125.02445	1.1
131.03477	6.1
149.04553	1.7
160.01149	1.0
161.04594	1.2
163.06105	1.0
165.12837	14.0
205.07101	0.9
233.15506	44.6
243.83002	1.0
247.20663	8.6
251.16451	1.1
253.09305	14.1
273.18634	5.6
291.19702	100.0
293.08896	4.2
525.32227	1.0
527.29413	1.4
551.44501	1.0
563.41125	0.9
587.30426	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	587.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40110	0.8
55.01891	1.5
57.03456	3.8
58.00611	1.7
59.01386	58.1
60.32993	0.9
61.98833	10.0
68.01921	0.8
68.75766	0.9
69.03466	1.2
71.01384	25.0
71.78111	1.0
72.84504	0.9
72.99299	1.1
73.02955	6.4
75.00892	1.1
80.47327	0.9
83.01400	4.1
83.05035	1.8
85.02961	11.5
87.00890	2.0
89.02440	22.8
97.02911	1.1
99.00861	10.0
99.04525	1.4
100.76214	0.9
101.02429	21.7
113.02454	5.8
116.92870	4.2
119.03469	1.1
125.02431	2.3
129.01936	1.3
131.03488	45.0
137.32339	0.9
147.04565	1.4
149.04482	0.9
149.09645	1.2
187.61742	0.9
191.05629	14.3
223.17093	5.2
233.15491	13.3
275.20078	4.9
293.21320	4.3
386.11682	1.0
455.26566	5.4
456.12766	1.1
587.30847	100.0
588.31146	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	588.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82977	0.3
55.47767	0.3
59.01382	1.7
61.98833	100.0
69.40566	0.3
69.89729	0.4
71.01382	0.4
71.39349	0.3
85.03028	0.3
96.96005	0.4
103.37357	0.3
105.49230	0.4
119.03426	0.4
165.05563	0.8
171.32326	0.4
191.05656	0.5
195.06664	0.5
210.50958	0.4
252.68788	0.4
291.78824	0.4
299.14862	0.7
511.12860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08424	0.4
53.49961	0.4
59.01358	0.5
61.98845	0.7
84.54758	0.5
144.51440	0.5
250.85280	0.6
255.23320	100.0
256.23834	0.8
265.53735	0.5
416.15390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85539	0.9
62.27924	1.1
66.07929	1.0
72.07341	1.1
72.99310	18.0
74.96937	1.0
77.42976	0.9
80.52854	1.0
80.73384	0.9
81.07111	1.9
85.06573	1.3
96.96001	13.3
99.08173	8.2
106.90371	1.1
113.06104	6.1
115.07653	68.7
129.05583	41.5
129.06538	1.3
143.07152	25.8
159.06622	2.0
168.32799	1.0
193.05305	1.1
205.07205	100.0
380.15430	1.5
402.99796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03466	1.3
58.00595	1.0
59.01383	55.9
61.98835	11.9
69.03467	2.2
71.01379	38.2
72.99311	1.4
73.02946	6.2
81.03435	1.4
83.01406	1.2
83.05044	1.6
85.02951	5.7
87.00885	1.1
89.02435	43.2
91.91278	0.9
94.02823	1.0
96.65194	0.9
96.96001	1.9
97.02946	4.2
99.04519	5.3
101.02428	9.2
101.06193	0.9
109.06582	1.4
111.00857	1.8
113.02440	4.4
116.92835	1.7
119.03484	1.4
125.02443	10.9
125.83529	1.1
131.03503	12.6
147.04570	1.9
149.04552	18.2
151.63971	1.1
165.12810	1.6
167.10764	1.5
169.08704	1.9
191.05612	4.2
219.14058	1.2
233.06755	1.3
233.15488	100.0
249.14894	1.0
251.16466	4.3
291.19730	7.6
293.08847	32.2
499.40048	1.1
527.25024	1.6
587.31018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46303	0.5
54.83474	0.5
55.20938	0.4
56.11812	0.5
57.03448	0.6
59.01387	35.7
61.98840	8.5
63.27955	0.5
67.11974	0.4
69.03475	2.3
70.52943	0.5
71.01387	20.9
71.01778	0.8
71.62441	0.5
72.99332	0.5
73.02943	4.6
75.21891	0.5
81.03458	1.2
83.01430	1.3
85.02969	5.1
89.02449	26.1
91.53716	0.6
97.02975	2.2
99.00887	0.8
99.04507	4.3
101.02467	7.7
106.54792	0.6
111.04558	1.2
113.02487	3.5
116.92880	0.8
125.02458	7.3
131.03519	9.6
149.04581	10.5
167.10791	4.8
191.05653	3.3
233.15495	100.0
234.15678	0.8
246.70821	0.5
257.40640	0.6
265.14154	0.6
274.40872	0.7
289.27628	0.7
293.08850	16.9
334.65988	0.7
341.50174	0.6
527.24957	4.1
538.35071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01385	10.0
61.98834	9.5
65.00343	0.5
71.01383	7.8
72.01730	0.8
73.02953	2.9
83.01389	2.0
85.02956	5.0
89.02451	3.1
93.03487	3.2
95.01353	0.8
96.95994	0.7
101.02457	4.2
102.02758	0.6
107.01395	1.0
113.02480	2.7
118.20217	0.5
121.02953	5.5
122.03736	13.2
123.04507	0.7
123.08227	0.5
133.02977	0.8
149.02455	17.3
150.03236	100.0
151.00375	4.6
151.11314	0.7
153.09227	0.9
156.51830	0.6
164.04784	4.2
165.05576	78.7
166.92809	0.5
177.12907	0.5
178.99860	1.2
180.04306	7.5
181.12277	0.6
188.77464	0.6
189.09476	0.6
191.05644	3.3
195.06648	36.7
197.57672	0.5
209.11945	0.9
227.12898	2.3
229.94359	0.6
242.09618	0.7
247.13515	0.5
270.08939	2.7
283.15610	12.8
285.11362	2.2
298.08734	0.8
301.03571	4.7
311.09427	0.6
314.08011	2.4
324.10153	0.8
325.10803	1.0
326.08038	0.7
329.10236	6.2
341.10355	6.9
344.12723	5.4
356.12738	2.5
359.15094	13.2
361.29495	0.7
362.29984	4.0
363.30377	2.6
371.14975	9.5
523.35278	0.7
524.35614	5.3
525.35687	7.2
537.21515	0.8
539.33136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77224	0.3
59.01389	1.8
61.70173	0.3
61.98840	2.2
63.08242	0.3
68.78193	0.3
71.01400	0.7
85.02953	0.3
89.02471	0.6
92.10794	0.7
93.03479	3.8
95.05076	0.4
101.02490	0.5
105.03482	0.3
109.02953	0.4
121.02950	6.5
122.03749	12.2
122.04623	0.6
123.04542	0.7
132.02229	0.4
133.02962	2.0
134.03659	0.4
136.01677	1.5
137.02478	0.5
148.01677	0.4
149.02463	38.4
150.03246	100.0
151.03891	0.4
160.01669	0.4
164.04820	7.2
165.05588	73.1
179.07211	1.4
180.04335	5.5
195.06656	28.9
223.95543	0.4
248.73872	0.4
257.11826	0.5
269.08243	0.5
270.09027	1.5
282.09262	0.4
283.09882	2.5
285.11359	2.3
286.08466	0.7
297.10843	0.5
298.08585	1.6
299.09372	2.0
299.12976	1.5
301.10892	0.5
311.09329	0.5
313.11072	1.3
314.08047	2.5
325.10968	1.3
326.07968	0.8
327.12460	5.6
328.13223	8.8
329.10364	6.0
330.11365	0.6
341.10358	7.1
341.14017	0.7
343.15582	0.8
344.12738	7.9
345.13330	0.8
355.11957	0.6
356.12878	2.3
357.13757	0.5
359.15057	12.1
359.19070	0.6
371.15060	8.8
403.38834	0.4
433.26886	0.5
449.17010	0.4
461.16190	1.5
463.18338	1.3
492.18008	1.5
507.20084	5.7
521.61816	0.4
537.21436	28.3
538.21674	0.5
539.10699	0.4
585.23041	2.5
598.65131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53599	0.6
57.03467	1.2
57.23881	0.7
59.01389	7.6
59.01651	0.7
60.26932	0.7
61.98847	3.0
62.22882	0.8
66.00880	0.8
67.01897	0.8
68.87144	0.7
71.01386	3.2
75.02490	0.8
85.02968	1.4
87.04522	1.3
92.10165	2.0
96.96010	2.1
101.02487	1.1
109.02953	1.2
113.02420	1.0
119.01405	0.8
121.02971	1.3
133.88214	0.9
136.01682	5.3
136.05342	10.0
137.02449	16.7
147.00848	1.9
149.06110	5.4
150.06929	0.9
151.04008	1.9
163.04037	1.2
164.01161	6.2
165.01947	100.0
165.09247	14.6
171.10301	3.3
177.05537	0.9
179.03517	46.6
179.07019	1.1
180.04303	49.8
183.10265	1.2
194.05780	6.0
195.03018	1.7
195.06660	52.4
200.62549	0.9
210.05333	9.1
225.07706	27.6
269.08240	4.7
269.11862	1.0
283.09906	1.9
283.15692	1.7
296.10608	1.2
297.11383	7.5
299.09213	4.4
299.15131	1.6
311.09308	4.6
311.12668	1.9
314.11734	11.5
315.12558	2.0
326.11520	4.1
329.14066	14.1
337.20227	12.3
341.13998	5.6
406.14667	1.1
449.16516	1.5
461.16174	1.4
463.17886	1.7
477.15433	3.8
491.17471	1.2
492.18103	4.1
502.08832	1.1
507.16635	11.1
522.18506	1.9
525.35162	1.1
537.21423	74.1
541.26593	12.7
585.23615	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	584.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18495	0.2
57.03441	0.2
59.01389	5.6
60.01726	0.9
61.23140	0.2
61.98839	100.0
64.29881	0.3
71.01383	2.5
85.02973	0.3
89.02452	2.9
95.01366	0.3
101.02416	0.9
106.77972	0.2
113.02460	1.0
119.03484	1.3
121.02939	0.5
122.03249	0.3
164.04822	0.3
166.06348	4.0
167.06676	1.5
179.05585	1.2
180.05827	0.3
181.08711	1.4
182.09036	0.4
214.66360	0.2
217.98854	0.2
258.76434	0.3
284.10117	0.4
285.10349	0.3
311.09201	0.4
312.09497	1.6
313.09879	1.0
314.10117	0.5
326.11398	0.3
327.11853	0.3
329.12515	0.4
342.14294	1.0
343.14194	0.3
344.14569	0.3
484.01227	0.3
524.34991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42321	1.1
57.03465	5.4
58.00601	14.1
59.01381	13.7
61.98832	14.7
69.03467	2.6
71.01393	6.0
71.05025	2.8
75.00897	1.4
76.58743	1.5
78.95921	1.8
83.05019	2.0
85.02959	1.6
85.06618	1.6
88.98827	3.2
89.02459	2.9
93.03465	5.4
96.96006	38.9
97.06598	1.5
99.04548	1.4
99.08155	2.2
101.02425	2.4
108.02203	8.0
109.02959	6.1
115.35630	1.5
117.03477	7.3
119.04991	2.3
121.02978	12.8
122.03728	15.3
123.04552	10.3
133.02951	2.7
134.03767	2.9
135.04530	5.8
136.01675	6.5
137.02489	2.5
137.06075	3.2
141.09412	1.4
145.02951	26.6
146.03751	8.3
147.04532	9.1
148.01660	6.0
149.02438	35.5
149.06097	5.3
150.03232	88.6
151.04015	9.6
153.05550	6.1
161.02449	32.3
162.03212	31.2
163.04024	19.9
164.04817	17.2
165.05577	61.8
167.10606	1.5
169.12306	1.6
173.04526	1.9
177.01944	14.2
177.05582	8.8
178.02698	17.0
179.03458	6.3
179.07123	2.4
180.04279	15.3
181.05084	7.6
192.04332	7.4
193.05035	27.0
193.06496	1.8
194.05856	6.2
194.33614	1.3
195.06638	100.0
196.07051	2.3
199.04132	3.2
209.04584	8.9
213.11366	16.7
214.11728	1.4
215.12549	1.2
227.03554	1.4
241.05203	1.5
270.05386	6.1
270.08969	6.2
283.15536	1.9
285.07718	13.2
299.09293	2.0
299.15036	5.7
300.09970	7.7
301.87283	1.4
329.10239	10.8
331.11945	1.9
341.10352	24.0
343.11893	19.8
359.11530	5.5
389.12332	16.5
531.55652	1.6
585.20264	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	585.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.3
59.01374	5.0
59.45840	0.9
61.98832	6.4
69.03448	4.0
71.01386	1.3
73.12904	1.0
83.01415	1.1
87.00864	1.3
93.03474	1.6
95.05003	1.6
96.95974	2.5
107.01409	1.7
109.02968	1.5
111.08194	1.0
121.02956	8.5
122.03732	6.7
125.02425	20.5
134.03725	28.3
135.04491	7.5
137.02480	1.7
137.05823	1.0
137.09674	1.6
146.03755	19.0
147.04507	2.1
149.02423	4.1
149.06079	49.7
150.03220	2.2
151.00328	4.8
151.04021	1.6
151.20796	1.2
161.02348	1.2
161.06065	12.2
162.03235	1.9
163.03990	1.3
164.04788	12.2
165.05577	18.4
166.06322	17.6
167.07121	100.0
168.07535	1.0
175.00336	6.8
178.99846	1.9
179.07111	34.5
180.99623	4.2
182.00465	1.1
183.01158	4.5
195.06578	1.2
199.09799	13.8
200.92628	1.1
207.01224	4.6
208.99150	47.2
221.08231	7.5
231.01257	4.4
237.45935	0.9
315.12393	23.7
317.01160	4.7
327.12146	2.0
335.02350	5.6
345.13416	9.0
363.14572	22.4
570.40558	1.2
585.08948	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	583.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28013	0.6
52.27171	0.6
55.01894	5.4
57.03456	17.2
57.03715	1.2
57.87056	0.6
59.01386	57.8
61.98836	4.3
69.03467	1.4
71.01382	40.5
71.05038	1.0
72.99305	1.7
73.02944	11.5
75.00915	1.1
78.95849	0.7
81.03506	0.8
83.01401	7.1
85.02957	20.2
85.06622	3.5
87.00880	3.7
87.04510	3.5
89.02453	18.3
95.01395	3.3
96.77720	0.8
97.06612	1.6
99.00894	5.1
101.02446	29.4
109.06572	1.1
113.02471	17.5
119.03497	5.4
123.08177	1.2
125.02563	0.9
129.01984	0.9
135.04538	1.8
149.09697	0.9
153.09256	1.4
161.04572	5.6
165.12935	1.2
171.13953	3.8
175.14935	0.9
179.05656	1.7
187.13402	3.7
193.04980	0.9
201.14970	1.6
213.18623	1.0
237.14996	27.0
265.08191	0.8
274.85199	0.9
281.13953	13.6
306.33704	1.3
315.25473	1.4
359.28113	5.9
361.29660	51.1
371.50177	0.9
373.87082	1.1
437.55713	0.9
490.73941	0.9
523.34961	100.0
583.30786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73101	0.2
58.00600	0.2
59.01381	7.0
60.01714	0.4
61.01794	0.3
61.98830	100.0
67.65228	0.2
71.01379	3.3
72.99287	0.2
85.01191	0.2
85.02950	0.9
88.98792	0.2
89.02447	3.9
90.02783	0.4
101.02444	1.4
113.02428	0.9
114.18549	0.2
119.03489	1.3
121.02941	1.1
128.10042	0.2
161.44753	0.2
166.06325	5.4
167.06660	1.4
179.05568	1.3
180.05905	0.3
181.08688	2.2
182.09007	0.4
232.45895	0.2
284.10052	0.3
285.10403	0.3
311.09326	0.9
312.09616	1.0
313.09982	1.2
314.10013	0.5
326.11557	0.4
327.11819	0.9
328.12119	0.9
330.02002	0.2
342.14127	0.5
343.14481	0.8
344.14590	0.3
524.22577	0.3
571.10840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.5
56.92964	0.7
57.03451	9.6
58.00593	1.0
59.01383	58.0
59.20362	0.8
61.98837	7.6
71.01379	52.5
72.99305	1.4
73.02938	15.3
73.91718	0.8
74.61124	0.8
75.00860	0.8
80.55397	0.6
83.01375	10.2
85.02947	25.4
87.00879	1.5
87.04508	1.1
89.02443	16.3
93.03452	9.1
94.03802	1.0
95.01382	5.1
97.02937	0.9
99.00896	5.3
101.02433	33.4
113.02450	18.5
119.03490	5.0
121.02970	6.5
122.03287	1.8
123.08158	1.9
125.02445	3.1
130.01825	0.8
137.02426	6.5
138.02765	3.3
139.02972	0.8
141.09232	1.3
141.12888	1.9
143.03502	1.1
143.10773	0.8
153.09193	1.0
159.02936	1.6
161.04544	7.7
167.03540	1.4
169.12352	1.0
171.13959	7.2
179.05693	1.6
182.69949	0.9
187.13376	1.2
200.14301	1.0
201.14952	4.3
213.17355	0.8
217.14470	1.4
227.07127	5.1
228.07469	4.7
229.07663	1.8
229.18115	1.0
236.00497	0.8
282.07010	1.0
287.22226	1.9
315.25555	3.2
359.27945	5.7
361.29639	56.3
431.26505	7.4
449.27524	4.6
523.34943	100.0
531.40277	0.9
583.29126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03862	0.5
55.01888	4.0
57.03452	7.9
59.01386	46.7
61.98827	11.4
69.03461	1.3
71.01382	31.5
72.99308	1.0
73.02942	11.3
73.76546	0.6
75.00888	3.2
75.06009	0.6
76.57613	0.7
83.01386	7.4
83.05057	0.7
85.02954	18.9
85.03460	0.9
85.75291	0.7
87.00883	2.8
88.76399	0.6
88.98819	1.1
89.02448	10.2
91.72068	0.7
95.01399	3.2
96.96021	0.9
99.00900	3.6
101.02441	24.1
111.00912	1.2
113.02461	13.1
117.46618	0.7
119.03503	4.0
121.02944	1.2
123.08128	0.7
125.02467	0.9
125.09677	0.9
127.11287	1.0
133.03001	1.1
137.09747	1.1
137.63489	0.7
143.03566	1.0
149.22977	0.8
155.10814	2.5
157.12367	3.0
159.02904	1.0
161.02437	4.0
161.04568	4.2
169.24722	0.6
171.13898	1.1
179.05708	1.1
187.13423	4.3
201.15096	1.5
211.34093	0.7
211.36375	0.7
216.33200	0.8
281.89227	0.8
297.13516	1.6
310.13623	0.7
342.20322	0.8
359.27994	4.7
361.25824	1.2
361.29651	34.8
431.43832	0.8
523.34912	100.0
524.35516	1.0
547.21967	2.8
587.04462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34207	0.2
52.73116	0.2
54.34174	0.2
57.55042	0.2
59.01397	1.2
60.42615	0.2
68.63199	0.2
77.71667	0.2
86.48425	0.2
108.02201	0.4
115.30077	0.2
116.92878	0.3
121.02975	1.6
122.03738	3.9
123.04549	1.2
134.03752	0.3
135.04530	13.6
137.02469	1.6
145.03006	0.5
147.04596	1.1
149.06129	4.0
150.03285	0.3
151.04045	1.5
153.01877	0.2
154.02739	0.4
161.06097	6.7
163.04004	4.9
164.04814	1.4
166.02721	0.6
166.06326	1.8
167.07132	2.1
175.07629	1.0
177.05632	0.6
179.03526	0.9
179.07152	6.3
179.08568	0.4
180.07938	51.1
181.08524	0.6
182.05917	3.8
190.06380	2.2
191.07146	2.6
192.07950	8.7
193.05122	0.9
193.08720	4.7
194.05870	9.3
194.09528	0.5
195.06648	6.4
195.10257	0.3
205.08794	0.5
207.10281	1.3
209.08255	2.4
210.08955	1.0
212.06935	8.7
223.09747	0.9
226.08475	3.1
242.08034	0.9
254.05855	1.1
267.10370	0.2
283.09827	0.4
285.11276	0.5
295.09689	0.5
297.11346	3.0
298.12033	0.3
299.05743	0.3
299.13040	0.4
300.09985	0.3
312.09924	0.4
313.10852	8.0
315.12677	0.4
316.13211	9.0
328.09256	0.3
328.13202	12.3
331.15564	31.4
343.15558	16.3
343.19843	0.4
346.14240	0.9
361.16629	100.0
362.16956	1.2
410.98520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2402
Annotation	Briaexcavatolide K
Peak:m/z	Relative Intensity
55.01884	3.7
57.03453	1.6
58.00603	0.4
59.01385	29.2
69.03450	0.4
71.01379	18.0
72.99308	1.7
73.02947	4.4
75.00845	0.4
83.01392	4.1
85.02949	8.2
87.00880	0.8
89.02442	7.2
92.73058	0.3
93.03432	0.6
95.01380	1.8
99.00864	2.1
101.02437	11.1
108.02212	0.7
109.02954	6.1
111.00904	0.6
113.02442	5.8
119.03490	2.1
121.02956	13.9
122.03741	16.3
123.04520	2.2
124.01672	1.4
125.02477	0.4
125.10452	0.4
129.03490	0.6
131.03328	0.3
134.03749	0.7
135.04520	1.7
136.05305	1.5
137.02429	1.8
138.63251	0.4
139.91457	0.4
147.04529	7.9
148.05215	0.5
149.06099	2.0
150.03270	0.6
154.02690	1.6
158.31882	0.3
161.06013	3.0
162.06870	0.8
163.04030	0.4
165.05573	28.8
173.06078	0.4
174.06807	0.5
175.07614	0.8
178.06369	0.8
179.07124	7.6
191.07150	1.9
209.08118	0.8
223.09813	0.6
298.12173	1.9
299.12894	0.7
313.14493	3.3
315.12222	2.6
316.12930	0.4
328.13123	3.6
329.14050	0.6
331.15387	0.4
343.15604	4.1
346.14236	10.5
347.15039	2.6
355.36368	0.4
361.16611	69.7
362.16858	0.8
451.13931	0.6
476.39398	0.4
485.17679	0.4
523.21924	100.0
524.22119	2.9
530.70020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
57.03441	4.2
59.01378	18.2
59.21062	0.8
61.98820	4.1
66.60847	0.8
67.01879	1.7
68.99805	17.4
69.13739	0.9
71.01370	10.9
73.02946	3.5
78.18031	0.9
83.01369	2.2
85.02943	4.6
89.02417	5.3
99.00871	1.1
101.02434	9.4
108.01452	1.7
108.02163	43.9
109.02923	10.0
113.02428	4.1
116.41257	1.1
117.03473	2.0
121.02914	2.1
122.03699	6.3
123.00867	14.0
123.04507	44.1
132.02159	8.8
133.02901	2.1
135.04451	1.3
136.19194	0.9
138.03207	20.9
147.04460	3.8
148.01619	4.1
150.03204	26.2
151.03969	1.4
160.01646	2.2
161.02443	19.1
161.04474	1.4
162.03214	53.8
163.03984	19.7
163.19844	1.0
164.04825	1.3
175.04016	1.0
177.05554	74.1
178.01166	2.0
178.02690	51.4
179.03461	4.3
187.13348	1.0
193.05046	100.0
194.05815	9.3
201.14896	2.0
242.09370	1.5
258.08853	1.1
261.00601	1.0
264.07230	1.1
270.08878	4.6
285.08020	1.1
285.11221	5.4
298.08347	1.4
299.09085	6.6
311.09238	2.4
314.07941	6.6
324.09729	1.2
325.10632	1.4
326.07782	1.6
329.10312	15.1
341.10269	16.8
341.14078	1.7
344.12704	20.9
356.12524	6.9
359.15094	21.0
359.27817	1.4
361.29645	10.4
371.14978	7.6
480.97925	1.1
522.33710	2.3
523.34766	22.3
545.26141	1.4
583.21747	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25043	0.6
58.19625	0.6
59.01383	35.2
67.09256	0.7
71.01379	16.4
72.99330	0.8
73.02956	4.7
83.01405	1.9
85.02964	4.9
85.06575	9.1
89.02443	19.5
93.03438	1.0
95.05046	0.9
97.02930	1.1
101.02419	12.4
103.00371	8.5
109.02958	6.6
110.03311	0.8
113.02438	7.7
113.06094	3.8
116.92860	5.2
119.03513	7.7
123.04501	6.2
125.02441	4.6
127.07677	1.6
131.07132	36.5
137.02438	1.9
149.02492	0.9
151.04033	2.8
161.06036	0.8
164.01071	1.0
167.07120	6.8
173.08247	0.8
187.04021	1.0
188.04761	0.8
193.03487	4.5
203.07115	1.4
205.05002	1.0
205.07837	1.1
215.69843	0.7
216.24904	0.7
221.08112	1.1
241.10756	4.2
245.08211	3.0
289.07181	11.3
290.07516	1.3
291.07690	4.0
292.07907	1.3
293.12451	100.0
294.12848	1.1
295.10812	1.4
299.10223	2.6
311.10690	1.0
313.12286	1.2
355.12946	1.7
359.22504	0.8
421.17285	4.8
431.46304	0.8
483.90302	1.0
551.15289	3.3
580.06830	1.0
583.18317	3.4
602.50555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03459	4.8
59.01384	100.0
61.98825	10.1
69.03460	1.5
71.01410	1.0
71.05030	1.2
71.82294	0.8
73.02960	1.9
75.00882	2.1
75.19458	0.7
78.96920	0.8
81.03472	0.8
83.05030	31.4
85.06586	1.0
92.10132	1.9
95.05045	1.9
97.06591	1.5
99.04541	1.7
107.05027	1.3
109.06581	1.1
111.08208	0.9
121.06612	3.4
123.08140	5.8
135.08200	1.2
145.06664	0.8
145.29688	0.8
148.87726	0.8
149.09726	3.5
162.56009	0.8
165.12828	6.8
179.10811	1.1
203.14514	1.0
219.14041	1.4
221.15575	1.0
233.15399	3.1
235.17114	1.9
253.18172	6.5
391.21219	1.0
391.26288	0.9
519.75909	1.0
521.35260	1.2
545.58936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.2
57.76794	0.2
59.01389	1.0
62.86778	0.2
65.00359	0.2
71.01365	0.3
71.69753	0.2
73.02953	0.2
76.38912	0.2
80.64254	0.2
89.02466	0.2
95.05021	0.3
99.92583	8.3
100.73299	0.2
102.42638	0.2
107.01404	0.5
116.92860	100.0
117.92883	0.4
123.04494	0.3
125.02436	0.3
150.03235	0.3
151.00345	2.4
151.03949	0.4
155.10851	0.4
199.09734	0.9
285.04099	1.0
464.96457	0.2
465.10269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26640	0.3
55.01897	0.5
56.86602	0.2
57.03459	0.6
58.00607	0.6
59.01383	28.5
60.95425	0.2
67.09630	0.3
69.03465	0.5
71.01379	13.1
72.99309	1.4
73.02959	1.5
76.12525	0.3
78.16109	0.3
83.01403	1.5
85.02960	3.6
85.06592	10.6
87.00876	0.7
89.02442	16.7
92.10744	0.4
95.01411	1.2
97.02952	0.6
101.02435	11.4
103.00335	0.4
109.02944	1.5
113.02451	5.4
113.06084	5.0
115.07658	2.0
116.92867	0.5
119.03493	6.1
121.02970	0.4
123.04531	0.5
125.02453	1.2
127.07667	1.9
131.07138	47.1
137.02428	0.4
144.47707	0.3
151.04060	0.4
161.04546	0.4
167.07092	1.6
173.08200	1.5
179.03494	0.4
179.05615	0.3
240.53166	0.3
241.10817	0.5
256.44077	0.3
289.07272	2.4
293.12473	100.0
294.12833	1.3
296.98950	0.3
421.17368	1.1
512.67303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18715	0.5
59.01384	14.0
59.44745	0.5
61.98842	0.6
71.01382	4.7
72.99332	0.7
74.36243	0.4
85.02972	1.1
89.02439	9.9
101.02458	0.7
101.13035	0.5
103.70590	0.5
113.02464	0.5
131.03525	0.9
132.02193	2.9
149.04543	2.4
160.01665	10.4
166.06386	0.7
181.08701	1.2
211.04047	0.9
226.09993	0.9
242.09514	9.2
245.08131	1.0
246.08887	1.2
253.08836	0.9
254.05798	0.6
254.09586	0.9
257.11856	8.3
269.11932	1.0
270.06308	0.9
270.09021	13.3
281.04630	2.4
281.08133	0.8
282.09015	5.2
283.09863	1.3
285.11362	14.0
287.33112	0.6
295.09802	2.7
296.10721	0.9
297.07733	0.7
298.08527	12.8
308.07062	1.0
309.07755	0.8
310.08557	6.9
311.09351	7.9
312.10022	0.8
313.10944	8.4
323.09235	3.9
324.10220	5.0
325.10898	9.3
326.07996	15.3
326.11703	6.3
339.12375	1.3
340.13290	3.5
341.10349	87.0
342.10812	1.0
356.08234	1.2
356.12701	32.7
357.12888	0.6
369.66791	0.6
371.15060	100.0
372.15344	1.9
521.33459	2.7
587.37738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37470	0.8
58.76024	1.0
59.01384	100.0
65.00340	0.8
65.19820	0.8
71.01388	5.7
73.02966	1.1
80.15706	0.8
85.02963	1.5
89.02451	2.0
101.02425	2.2
102.71807	1.0
113.02474	2.0
114.92649	0.9
116.92859	3.7
121.02934	1.5
135.04544	1.8
151.00337	1.3
163.02776	1.1
164.04808	1.3
172.69852	0.9
212.32716	1.1
227.12846	1.3
269.08255	4.0
275.58722	1.0
281.14124	1.1
299.09177	1.5
311.09329	2.3
314.11569	4.4
322.17596	1.0
324.31854	1.2
326.11676	1.4
329.10507	1.7
329.13824	10.4
341.10175	1.8
341.13998	5.2
344.12579	1.7
359.15097	7.7
371.15024	4.5
389.21939	1.6
581.31976	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	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63590	0.3
59.01385	100.0
71.01395	0.4
76.58112	0.3
78.26616	0.3
80.18380	0.3
83.23528	0.3
99.04501	0.4
114.82597	0.3
116.92870	2.3
121.02931	2.5
134.52203	0.3
135.04546	0.5
147.04504	0.5
159.04509	0.5
192.07918	0.3
207.13831	0.4
224.56357	0.3
254.05791	0.3
255.10376	1.4
269.08228	14.1
269.11295	0.6
270.12686	0.5
271.09830	1.2
281.08264	1.7
283.09821	5.4
295.09787	0.4
296.10522	0.4
297.11316	0.5
298.12073	0.7
299.09311	9.3
311.09323	13.1
314.07956	0.7
314.11652	17.8
315.12445	0.3
325.10889	1.3
326.11612	11.3
329.13995	47.6
330.14355	0.5
341.13974	25.4
342.14279	0.5
359.15137	1.2
387.74112	0.3
391.82059	0.3
396.30673	0.3
419.19180	0.5
523.43951	0.4
537.90741	0.3
581.24408	0.4
606.05548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22647	1.6
55.01883	1.8
57.18994	1.8
59.01385	100.0
62.61859	1.7
63.60485	1.8
64.61608	1.8
71.01382	55.1
85.02974	11.1
85.75067	1.8
86.33498	1.8
89.02444	70.5
95.01402	3.4
101.02444	21.9
113.02457	21.1
119.03505	27.2
122.63700	2.2
131.03461	2.2
131.16551	1.9
137.02489	2.2
143.03551	4.7
145.02917	2.8
155.62471	1.8
161.04643	3.7
167.22238	2.3
179.05582	22.7
235.31551	2.0
253.31377	2.1
255.10249	8.9
269.11844	3.6
270.12555	2.4
283.09839	40.9
298.12140	3.7
311.09314	92.4
325.10797	4.7
326.11728	65.1
341.10095	3.6
341.14001	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.2
57.03460	1.7
59.01383	80.3
69.03481	1.1
71.01381	34.0
73.02955	4.4
83.01388	3.7
85.02951	8.5
85.26954	0.9
87.00894	1.3
89.02435	38.4
93.03451	91.1
95.01423	4.4
97.02934	4.2
99.00897	1.5
101.02417	11.0
107.05037	5.9
108.02198	2.4
113.02426	8.3
119.03505	4.5
121.02948	88.5
125.02431	16.9
125.09737	1.1
131.03497	9.7
136.01648	1.6
137.02440	81.2
143.03470	4.7
149.04549	11.1
151.04018	1.8
163.04068	1.1
171.14038	1.0
197.06059	14.6
199.07672	7.6
213.13843	0.9
227.07161	100.0
281.06717	25.4
293.08881	15.4
298.45523	1.0
334.87759	1.0
359.28073	3.9
413.10983	13.5
415.12567	3.6
521.33301	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	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
58.29953	0.2
59.01393	1.1
60.99314	1.3
67.01894	4.0
69.03461	2.2
71.01389	1.9
71.05029	1.2
72.99303	3.0
80.06617	0.2
81.03468	1.2
83.05029	4.4
85.02954	5.6
87.00876	7.1
92.10100	0.5
93.03453	27.5
97.02959	2.3
99.00867	0.4
99.04543	1.0
99.08203	0.3
109.02926	0.3
109.06628	0.3
111.04526	5.1
111.08167	1.5
113.02466	0.4
115.04018	0.4
119.05027	10.3
123.55625	0.2
127.04029	1.4
129.01933	0.9
129.09195	0.3
137.02437	0.4
137.06126	0.8
145.02977	1.2
151.88560	0.2
154.84639	0.2
155.03514	1.0
163.04024	9.4
163.11345	0.3
170.67206	0.2
171.02989	0.4
173.04561	14.3
179.10696	0.3
181.12265	0.3
191.05632	100.0
192.06012	0.5
225.11380	0.9
243.12379	26.6
337.09360	24.7
368.63254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83624	0.7
55.01888	1.8
57.03442	2.8
58.00624	0.8
59.01385	45.7
62.01530	0.7
63.66191	0.8
71.01378	24.4
71.01717	1.1
71.79148	0.7
72.99324	1.6
73.02966	4.1
82.20792	0.8
83.01417	4.3
85.02959	7.7
86.00046	0.9
87.00895	2.0
89.02439	16.6
92.66280	1.1
94.62193	0.8
99.00916	1.4
101.02441	13.0
108.02193	1.2
109.02959	8.0
113.02491	6.5
116.92896	1.8
119.03514	2.0
123.04531	1.4
135.04549	2.0
137.02472	0.9
145.02997	1.1
147.04546	1.4
148.05353	1.6
151.00377	1.2
159.04515	5.0
160.05292	4.1
161.06136	7.1
162.03229	3.9
162.06862	1.2
163.04016	3.6
164.04851	1.6
172.05299	32.0
173.06039	6.2
174.03223	4.4
175.02466	0.8
175.07701	9.6
177.05608	1.9
178.06366	3.9
179.07120	1.0
180.04283	1.6
187.07643	35.7
189.05623	5.2
190.06390	15.2
191.07137	7.5
193.05113	2.0
203.07268	1.1
204.07904	1.4
205.08687	10.7
207.06635	1.5
207.13969	4.6
210.05321	1.3
241.05119	4.3
251.12936	5.3
255.06638	5.2
281.08224	3.9
284.10373	1.2
293.04620	1.5
293.08340	4.1
294.05005	1.7
295.05099	1.9
296.05444	1.4
296.10510	3.7
299.09195	3.7
299.12973	4.2
308.10681	1.3
311.09290	4.6
311.12979	6.9
313.10913	5.5
323.12994	4.9
326.11667	5.3
329.10529	2.8
329.14017	12.5
341.13953	20.4
344.12714	18.1
359.15030	100.0
360.15424	1.4
401.18146	3.5
417.10049	1.6
431.19073	1.4
521.20325	89.2
522.20386	1.4
581.16754	4.6
581.24701	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	581.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68234	0.4
57.03460	0.9
59.01384	10.4
68.73335	0.5
71.01397	2.3
71.45686	0.5
73.02946	1.0
79.10595	0.6
81.03441	4.5
83.01382	4.8
85.02962	1.0
87.20397	0.6
88.98801	4.2
89.02454	1.1
92.10819	0.9
93.03452	10.1
95.05027	2.9
97.02966	1.2
99.04500	1.2
101.02410	0.7
105.03413	0.8
111.04570	0.7
116.92868	2.5
118.60621	0.5
119.05023	4.7
121.02942	2.4
123.04500	7.5
124.01649	0.8
125.02437	9.3
131.01379	3.3
135.04515	1.0
137.02441	1.1
137.06076	5.3
138.03224	3.1
139.03958	0.8
143.32924	0.6
147.04530	2.3
149.02441	17.2
151.04016	2.9
152.01215	0.9
163.00456	0.6
163.04002	3.2
164.04762	1.2
165.01924	4.3
165.05565	3.5
166.02702	14.7
167.03494	20.7
169.46866	0.6
173.02434	1.4
175.00371	12.1
178.59508	0.6
179.03476	8.6
180.04283	5.1
189.05595	4.1
191.03516	100.0
192.03909	0.8
193.05037	3.3
194.02248	2.4
197.04585	0.7
198.01773	0.6
203.03473	9.9
204.04240	0.7
205.05058	2.2
208.03751	0.9
209.04585	8.0
212.03308	0.8
219.03120	0.8
221.04510	0.9
233.04620	4.7
245.04744	0.7
255.81140	0.6
269.08194	0.7
273.07706	5.6
279.06625	0.8
285.07742	3.2
286.08624	4.0
297.04306	1.3
297.07721	39.8
314.07913	5.6
315.08786	45.6
316.09009	0.7
317.34378	0.6
325.06625	0.6
326.07690	0.6
327.08798	2.1
329.13858	1.0
339.08725	3.2
345.09827	6.0
359.14865	0.7
369.09909	2.3
399.10748	1.0
417.11841	5.0
435.12766	0.8
461.14606	48.4
521.20117	2.3
581.18848	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	581.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30670	0.5
55.63387	0.4
58.00589	1.1
59.01377	2.1
66.67648	0.5
69.80894	0.5
71.29284	0.4
72.99294	18.6
72.99686	0.7
74.28178	0.5
75.00864	0.7
85.02966	0.9
87.00876	3.2
91.05515	11.9
93.03438	0.7
96.96007	0.9
106.04240	2.1
106.28032	0.5
107.05026	8.1
115.05534	3.0
116.92854	1.1
117.03427	5.6
119.03561	0.5
119.05033	0.6
121.02904	2.4
131.04988	5.2
133.06577	8.8
135.04472	3.7
146.19453	0.5
147.04533	0.8
149.06065	52.2
161.02490	0.7
163.03998	11.0
164.39938	0.6
173.86369	0.5
177.05547	25.3
177.07080	1.0
179.03470	22.2
191.05595	5.1
193.05045	0.6
195.06535	2.2
203.23129	0.6
239.05592	100.0
240.05873	0.6
353.08630	0.8
562.64856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03460	0.8
59.01372	11.9
59.01607	0.7
60.86737	0.6
71.01384	5.1
73.02953	1.6
83.01385	0.8
84.22028	0.7
85.02956	2.4
87.00854	8.6
89.02420	4.9
91.81254	0.6
92.66680	0.7
95.01315	0.9
98.12380	0.7
101.02442	4.0
104.96469	0.7
107.05058	0.7
108.02148	1.4
109.02936	41.5
113.02490	1.5
118.26416	0.7
119.03483	0.9
121.02945	9.0
122.03709	9.5
123.04506	42.5
125.02436	1.0
135.04503	3.5
137.02420	1.4
139.99321	0.9
143.05037	1.6
146.03761	1.5
148.05348	1.0
151.00345	0.6
153.00133	5.0
154.00919	12.8
154.02734	0.7
155.04997	0.7
159.04520	2.7
160.05269	3.3
161.06062	47.1
163.04018	3.2
163.07642	3.2
167.01692	2.6
172.05315	1.0
173.06046	10.7
176.04700	0.8
185.99918	3.5
189.05562	13.9
190.06343	28.9
191.07135	53.9
203.07120	13.1
209.04599	1.2
219.05058	3.9
223.04309	4.0
229.18114	0.7
283.09839	1.1
313.10825	62.3
314.11197	4.7
329.13864	1.0
336.90051	0.8
341.10336	1.1
342.62088	0.7
346.08835	2.9
361.11166	100.0
387.12601	1.2
431.11902	1.3
478.97534	0.7
521.33411	8.6
526.95374	0.8
581.16895	4.1
581.35663	1.2
591.26251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14071	1.1
57.03462	1.8
58.00611	1.4
59.01381	100.0
70.77631	1.3
71.01379	48.8
72.99305	1.8
73.02926	1.6
76.19901	1.2
78.73885	1.1
82.06931	1.4
83.01386	1.9
85.02946	11.6
87.00874	1.7
89.02441	70.1
92.95438	1.2
95.01398	2.0
96.96017	13.6
96.96977	2.0
99.04517	35.4
101.02429	26.6
113.02438	24.6
119.03502	25.9
125.02473	5.7
131.03578	1.9
143.03537	2.2
150.03674	1.2
161.04613	2.0
173.08199	8.3
179.05621	16.2
279.10858	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.7
57.33004	0.4
57.37865	0.5
59.01385	100.0
63.88215	0.6
70.68018	0.4
71.01381	3.7
82.57829	0.6
85.02979	2.1
89.02457	0.8
92.10213	0.7
92.66626	0.5
93.03447	1.3
96.96008	0.8
101.02457	2.7
111.40409	0.7
113.02459	1.2
119.97158	0.5
121.02953	31.4
123.26907	0.5
161.06108	0.6
190.06317	1.1
218.36037	0.5
302.22543	0.7
342.14758	39.9
343.15186	0.6
357.17148	53.7
357.26544	1.2
447.26175	0.7
457.04871	0.6
519.31616	2.8
579.29919	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	579.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.7
57.03465	2.1
59.01386	85.6
60.95853	0.8
65.86329	0.7
69.03483	1.1
70.87636	0.8
71.01389	59.2
72.20271	0.8
72.99325	1.9
73.02954	19.5
75.00923	1.0
83.01393	10.2
85.02961	26.7
87.00893	1.7
89.02450	28.5
93.03471	4.6
95.01418	6.3
96.96030	1.0
97.03001	1.4
99.00877	10.4
101.02450	48.9
104.64637	0.9
107.01414	1.1
113.02454	26.0
119.03550	8.3
119.05021	16.6
123.00887	1.3
123.04585	0.9
125.02464	3.9
129.02002	1.0
131.01418	4.8
131.03517	11.1
136.01689	1.2
143.03513	4.8
149.02451	4.8
149.04521	1.7
150.03226	10.9
151.00398	5.5
155.21800	0.8
159.03008	4.2
161.04584	25.0
163.00365	1.5
163.03999	1.1
164.01164	0.9
165.02077	0.9
165.05597	8.9
175.00388	17.9
193.01439	4.1
195.06665	1.2
252.99905	0.9
271.06232	5.5
277.12799	1.3
293.08539	1.2
294.04935	1.6
295.06152	14.7
313.07251	11.2
337.09631	1.4
343.08218	3.7
387.20291	100.0
404.79120	0.9
415.10052	1.5
459.13150	7.2
461.14566	4.2
519.24561	48.5
579.17316	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	579.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58356	0.4
55.01867	0.6
57.03463	1.1
58.00599	2.9
59.01385	100.0
68.68275	0.5
70.28252	0.4
71.01382	43.8
72.99315	2.5
73.02946	1.0
78.38560	0.4
83.01380	1.8
85.02947	8.7
87.00894	2.0
89.02442	59.0
92.10181	0.5
95.01380	3.6
101.02439	20.7
113.02451	17.3
113.03240	0.5
119.03500	22.2
125.02428	0.6
131.03519	2.2
133.98842	0.5
143.03520	4.5
149.04547	1.7
161.04602	5.1
179.04108	0.9
179.05640	25.8
290.53476	0.5
291.52686	0.5
330.14200	0.7
331.15009	0.5
357.26462	0.7
519.31793	2.0
579.33398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58410	0.2
59.01384	9.6
60.01717	1.4
61.01805	1.3
61.98834	100.0
71.01380	4.4
72.01720	0.5
73.02945	0.3
74.81105	0.2
80.49239	0.2
83.01370	0.3
85.02946	0.6
89.02444	8.3
90.02797	1.6
91.02869	1.2
99.00872	0.3
101.02422	2.0
102.02766	0.4
113.02454	0.3
129.10593	0.3
131.03490	4.0
132.03839	1.9
132.77846	0.2
133.03995	0.5
149.04546	3.5
150.04880	1.2
151.05014	1.5
156.25664	0.3
191.05620	1.5
192.05965	0.5
193.06145	0.5
198.40688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01388	51.0
61.98829	1.3
63.96252	0.7
69.03474	0.9
71.01381	11.5
73.02975	1.7
78.95910	7.5
78.98604	7.6
79.95739	13.9
80.96528	98.9
81.03490	0.8
83.01392	0.7
83.05035	1.1
85.02959	4.7
87.00899	3.6
94.98087	21.2
96.95982	1.1
97.02933	3.1
97.06596	0.7
99.00883	0.8
101.02456	4.0
106.98087	6.8
107.04967	0.7
116.07389	0.6
122.97594	8.8
123.08162	1.0
125.02464	3.7
126.23344	0.7
134.97589	6.9
136.99168	1.4
148.99155	9.6
152.98631	9.9
158.34135	0.7
164.98630	16.6
182.99687	3.4
186.10118	0.6
206.99702	3.5
219.13925	0.7
224.06976	2.9
225.00797	21.2
243.02028	1.2
257.39542	0.7
265.14374	1.1
267.16083	1.1
277.21716	19.4
278.22046	14.2
299.04340	3.7
450.68613	0.8
502.29504	6.8
503.29901	14.5
534.43353	0.7
577.26965	100.0
578.27008	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4243
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01384	45.0
61.98851	4.2
108.39668	1.9
114.39323	2.0
133.69044	1.9
205.16048	2.0
277.21747	100.0
307.24133	2.1
347.65582	2.3
577.42615	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35331	0.2
52.43303	0.3
59.01383	22.8
60.01709	0.2
61.98835	1.8
69.07144	0.3
69.67187	0.3
74.57343	0.2
76.36440	0.2
78.95899	21.3
88.04268	0.2
88.58882	0.2
95.55729	0.2
134.98541	0.3
152.88416	0.3
152.99608	2.9
168.04305	3.9
224.06960	9.1
242.07990	1.7
249.10852	0.3
250.25999	0.3
261.22540	0.4
279.23318	100.0
280.23636	1.3
460.23898	0.3
504.31024	48.6
505.31387	0.7
564.38007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83634	0.4
59.01394	2.0
71.01398	2.9
72.14053	0.5
75.00881	0.8
81.03476	0.7
85.02957	2.6
90.92473	0.4
93.03455	42.2
95.01397	2.0
96.96011	4.6
101.02467	1.1
101.28840	0.6
108.02177	87.4
109.02962	30.5
116.09613	0.5
117.05586	2.8
118.20049	0.4
121.02975	0.6
123.00859	0.6
123.04488	0.5
137.02444	54.7
151.04057	2.4
151.82881	0.5
152.01161	75.4
153.01945	26.6
161.10504	0.5
163.04004	0.8
165.01907	2.1
173.04716	0.7
225.04082	0.8
279.10727	0.8
299.07852	3.3
315.07269	100.0
316.07535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30969	0.4
53.21423	0.3
55.01895	1.1
55.67056	0.3
57.03450	2.0
57.20101	0.4
58.00599	2.5
59.01385	97.5
69.71717	0.4
71.01382	62.8
72.99307	3.1
73.02946	12.5
78.56093	0.4
83.01379	2.7
85.02958	13.0
85.95304	0.4
87.00866	2.3
89.02441	100.0
99.00893	1.0
101.02443	37.8
113.02456	10.2
119.03483	5.7
125.02451	4.9
128.66667	0.5
129.05594	0.8
131.03508	23.9
143.03442	0.8
149.04570	67.7
151.56920	0.6
153.36011	0.4
160.95020	0.4
161.02351	0.5
161.04485	3.0
161.87367	0.4
191.05641	13.5
221.06682	0.9
240.78706	0.5
251.07451	0.8
281.08707	0.8
282.85144	0.5
289.06958	0.5
293.08728	2.1
311.07101	0.5
311.09903	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	577.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.1
57.03468	2.5
57.67990	0.9
59.01385	65.8
60.99323	1.0
61.98836	1.5
67.64051	0.8
71.01379	54.6
71.05079	0.9
73.02946	21.7
75.00876	1.0
76.82823	1.1
83.01401	10.8
83.05042	2.3
85.02956	30.1
86.13026	1.0
87.00896	3.9
88.98793	8.3
89.02441	16.6
95.01403	5.1
96.96033	6.2
97.02986	1.6
99.00880	8.2
101.02441	42.6
101.03080	1.7
111.00922	1.2
113.02449	18.9
115.85147	1.0
116.92837	1.4
117.03465	2.0
125.02451	6.5
126.88548	1.0
131.03517	7.7
135.08182	1.0
143.03511	7.3
149.04515	3.4
159.03024	2.1
161.04535	12.8
175.11369	4.0
179.07204	1.5
185.06735	1.0
193.12389	13.6
201.11371	1.0
222.12309	1.0
223.13515	7.2
269.04736	1.1
283.06119	1.2
293.04620	14.0
293.07959	1.8
311.05750	2.0
385.18741	100.0
413.08829	2.0
428.13977	1.3
517.22968	51.7
518.23315	1.3
559.40454	1.2
577.16266	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	577.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.7
59.01376	22.5
61.98829	4.6
71.01400	1.0
72.99294	0.5
73.02953	0.7
83.05024	1.2
83.17963	0.6
85.02927	0.8
93.03466	1.0
96.96004	0.8
101.02407	0.6
109.02947	10.6
109.06586	0.8
111.04502	0.6
121.02941	33.1
122.03732	27.2
123.04544	2.9
124.01655	2.9
125.02427	0.7
136.05280	3.5
137.02452	4.8
149.06059	6.1
154.02737	5.6
163.07657	0.6
177.09190	1.0
202.09856	0.6
211.13441	0.6
227.55771	0.6
239.16699	0.7
249.14973	2.6
293.04584	3.1
314.15256	50.7
315.15643	0.8
329.17606	100.0
330.17743	1.0
413.08942	1.0
517.33118	2.9
574.13727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03454	1.7
58.00599	2.0
59.01384	100.0
71.01382	49.4
71.01964	0.5
72.99317	2.3
73.02943	6.6
83.01383	3.0
85.02955	9.2
87.00851	0.6
89.02442	85.1
91.44422	0.4
91.45074	0.4
95.17109	0.4
96.96001	1.5
97.02926	0.7
99.00885	7.8
101.02441	33.0
113.02460	8.1
119.03495	3.0
125.02409	2.1
129.01941	2.5
129.81392	0.4
131.03505	61.3
143.03528	0.8
144.34378	0.4
149.04570	50.8
161.04514	0.5
173.04573	0.5
191.05635	31.0
221.06691	5.9
251.07791	3.8
281.08841	0.9
293.08533	0.6
311.09933	4.8
398.40497	0.4
501.14798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
57.50601	0.3
59.01394	5.8
61.98856	0.6
69.03507	0.3
71.01402	2.5
72.12888	0.3
73.02962	0.7
85.02981	1.3
87.00894	0.4
87.04501	0.4
89.02451	0.7
91.00050	0.3
92.10161	0.4
95.05014	0.3
96.96019	2.4
101.02451	1.4
108.02201	1.2
109.02978	1.4
113.02462	1.1
116.92877	0.7
121.02930	2.5
122.03739	19.5
123.04514	1.2
124.01640	0.6
125.02430	0.5
135.04535	12.4
137.02452	2.9
147.04547	1.4
148.05301	2.0
149.04677	0.4
149.06087	2.3
154.02750	3.4
161.06064	0.5
163.04021	17.5
163.05391	0.6
164.04778	0.5
165.05600	3.3
167.62794	0.3
191.07155	7.0
235.17169	0.3
261.46310	0.3
277.46844	0.3
287.13010	1.1
293.04614	1.8
313.10959	0.4
314.07959	0.7
314.11661	22.7
329.13998	100.0
330.14279	1.6
355.24683	0.4
362.44958	0.3
385.22360	1.1
390.65094	0.3
413.08917	0.7
473.17996	0.3
517.30408	0.6
533.20642	0.7
533.29987	0.3
577.15784	0.6
577.32074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66512	0.3
53.88117	0.3
55.82730	0.4
58.00602	0.4
59.01392	10.8
62.97853	0.3
69.63102	0.4
71.01387	2.3
73.02943	0.5
78.62909	0.4
80.86998	0.5
85.02977	1.0
89.02429	0.5
91.70996	0.4
93.03477	0.7
101.02441	0.5
117.03466	18.7
117.04272	0.8
117.40652	0.4
119.04954	0.5
121.02959	0.7
124.31095	0.4
131.01398	2.4
135.04544	0.9
149.02472	1.0
159.04520	1.6
161.02463	3.8
163.00368	2.3
163.04054	3.9
173.02420	6.7
174.55745	0.4
175.00377	9.9
182.20563	0.4
182.68623	0.4
191.03577	0.7
193.06598	0.5
203.03511	0.6
211.07797	0.5
237.05530	0.6
239.07135	0.8
247.68205	0.4
249.05698	0.6
250.65630	0.5
253.05199	0.9
262.17191	0.4
265.05069	0.8
268.03839	6.9
269.04578	26.0
281.04602	6.5
282.05356	2.9
283.02972	0.6
283.06143	25.0
293.04596	100.0
294.04822	0.9
295.06039	1.0
311.05667	35.6
314.04407	5.0
323.05670	2.8
335.05634	1.8
341.06613	2.6
347.53186	0.5
363.76007	0.4
413.03354	0.9
413.08841	21.1
413.14185	1.0
446.56851	0.5
457.11490	7.5
502.24774	0.5
577.15735	46.3
578.16003	0.6
589.97290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
63.02389	1.7
65.00021	0.1
65.00338	0.7
71.01392	0.2
73.02962	0.1
83.01396	0.3
88.92602	0.1
89.02428	0.1
93.03459	0.4
101.02448	0.1
107.01392	2.3
117.03470	3.8
121.02981	0.2
147.00980	0.1
149.02443	1.0
151.00365	0.8
155.05034	0.1
157.06555	0.1
159.04509	1.6
161.02437	1.4
169.06609	0.5
171.04515	0.1
175.00377	0.3
181.06615	0.4
183.04552	0.8
191.37546	0.1
196.05328	0.6
197.06081	0.7
199.04097	0.1
201.05560	0.7
208.09119	0.1
211.03998	0.2
221.01237	0.1
224.04811	0.2
225.05621	1.4
227.03516	0.5
239.03551	0.2
240.04323	0.5
241.05028	0.2
253.05229	0.1
264.11615	0.1
268.03790	4.3
269.04578	100.0
270.04880	0.8
278.85275	0.1
293.04535	2.4
311.05643	0.5
342.24924	0.1
352.46667	0.1
413.08911	0.6
423.93417	0.1
577.15790	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	18.8
59.01385	3.4
59.14719	0.8
73.91162	0.7
77.39736	0.7
81.03476	1.7
83.01381	4.9
89.02457	0.8
89.29684	0.8
92.10188	0.8
93.03465	1.3
95.01352	1.1
95.05050	1.7
96.96007	3.2
97.02942	4.5
104.12219	0.7
107.05051	1.4
109.02966	19.8
121.02925	1.5
122.03746	0.9
123.04501	15.7
125.02443	100.0
127.49007	0.8
133.02956	4.6
135.04497	1.8
137.02452	25.5
139.04010	3.5
149.02454	7.2
150.03227	1.4
151.04019	12.3
158.01863	1.0
159.04474	5.2
161.02452	29.2
161.06084	4.1
162.03204	1.3
163.00258	1.0
163.03975	3.7
164.01183	3.8
165.01974	4.6
167.03467	1.6
173.06090	0.9
175.03984	8.0
175.07550	1.6
177.01913	3.9
179.03484	3.6
185.06067	1.5
187.03975	6.8
188.04808	4.1
189.05524	1.2
201.05481	1.1
202.06375	1.4
203.07201	11.8
205.05038	7.6
215.03525	1.0
217.05138	1.2
221.08179	1.5
225.05539	0.9
227.03548	1.0
229.05029	3.4
233.39104	1.1
245.04471	2.9
245.08209	10.5
246.07693	0.9
255.03107	6.0
256.03741	5.3
269.04410	1.2
271.06290	1.3
273.04056	3.7
281.04617	1.2
284.77063	0.9
287.05582	6.6
289.07224	46.7
290.07343	1.1
299.05637	5.3
339.08649	1.4
381.09549	1.4
407.07745	33.2
425.08850	12.4
451.10526	7.0
577.13629	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	577.1567
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
59.01384	8.1
65.64421	0.4
71.01414	0.6
73.02958	0.5
85.02973	1.0
90.99969	0.4
92.10183	0.9
97.56342	0.5
110.09655	0.4
117.03465	14.3
117.04238	0.5
131.01419	2.6
150.21625	0.5
161.02478	1.8
163.03894	1.5
173.02429	7.2
175.00372	11.2
186.29912	0.5
221.05991	0.5
237.05667	0.6
249.05603	1.1
265.05078	0.7
269.04593	2.5
281.04544	2.0
282.05319	0.7
283.06113	8.4
293.04599	100.0
294.04736	0.6
311.05698	10.0
314.04434	0.7
323.05624	2.2
335.05750	0.9
388.85587	0.5
413.08865	34.3
457.11536	2.6
577.15637	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43374	0.6
55.01901	0.7
55.58312	0.5
55.96949	0.6
57.03451	16.9
57.03709	0.8
59.01382	24.9
60.74839	0.7
69.03471	0.9
70.06639	0.7
71.01380	16.4
72.04890	0.6
73.02943	1.3
81.03476	2.9
83.01364	5.5
83.05045	1.1
85.02969	4.8
89.02439	17.0
93.03455	1.4
95.01395	1.1
95.05059	3.2
96.96049	1.0
97.02934	5.4
99.00863	1.0
99.04543	0.9
101.02457	9.2
107.05042	1.5
108.02195	1.2
109.02954	23.3
113.02454	4.0
117.03543	0.7
119.03471	1.3
121.02962	3.6
122.03724	1.0
123.00819	0.7
123.04523	16.0
123.72657	0.8
125.02439	100.0
129.01944	1.1
131.03493	11.5
131.05032	0.8
133.02959	5.2
135.04463	1.3
137.02440	23.1
138.06859	4.7
139.04008	2.9
139.07652	0.9
141.09236	1.1
143.03479	1.1
147.04523	0.8
149.02464	6.9
149.04535	4.9
150.03268	1.3
151.04013	18.0
151.07547	0.7
152.08414	7.0
153.09222	14.5
159.04500	1.7
161.02452	25.2
161.04584	1.3
161.06111	4.5
162.03183	1.4
163.00380	1.1
163.03989	3.7
163.11337	1.1
164.01131	4.5
165.02008	5.0
167.03575	1.7
173.06084	0.8
175.04042	9.8
175.07594	1.1
177.01941	7.0
177.05585	1.4
179.03519	5.4
185.06030	1.2
187.04025	6.5
188.04774	2.8
191.05681	5.0
199.04050	1.2
199.07582	0.8
201.05550	3.7
202.06468	1.2
203.03500	2.9
203.07178	12.4
203.09238	3.9
205.01416	1.1
205.05084	8.2
205.12358	15.2
212.04813	0.9
217.05116	0.9
221.08290	1.0
227.03456	1.4
229.05080	3.0
243.03001	1.5
245.04509	2.8
245.08315	10.7
255.03049	5.6
256.03833	3.3
257.04437	1.2
269.04541	1.3
273.04163	1.1
281.04532	2.9
287.05612	13.5
287.14886	0.8
289.07205	39.2
290.07605	0.9
293.08813	1.1
299.05679	3.8
339.08563	1.6
381.09738	1.0
385.18518	6.6
407.07773	27.7
425.08911	12.0
451.10648	5.9
517.22943	28.9
535.89893	0.7
577.14032	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	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27214	0.8
51.70676	0.9
55.63935	0.9
57.03445	14.2
57.56419	0.9
58.78625	0.8
64.57231	0.9
73.61069	0.9
81.03468	1.1
83.01385	5.1
95.05015	2.0
95.62946	1.0
97.02934	5.8
109.02943	25.0
121.02921	5.8
122.03704	1.7
123.04509	21.7
125.02421	100.0
128.91997	1.0
133.02948	5.6
135.04492	1.9
137.02426	22.8
139.04010	4.4
145.02951	1.3
147.04512	1.1
148.72624	1.0
149.02434	8.0
150.03194	1.3
151.04008	14.4
159.04527	4.8
161.02429	28.7
161.06061	5.1
162.03162	2.1
163.00302	2.3
163.03992	2.4
164.01122	6.7
165.01906	6.5
173.05995	1.8
174.03203	1.2
175.04007	12.7
175.07690	1.8
177.01802	6.9
179.03468	5.3
187.03981	8.4
188.04922	3.5
202.06288	1.8
203.07146	14.4
205.01382	4.9
205.05011	8.2
211.03931	1.5
215.03548	1.0
217.05011	1.9
221.08214	2.0
227.03429	2.2
227.06989	2.0
229.05035	4.5
243.02879	1.9
245.04425	5.3
245.08124	11.3
247.06125	1.6
255.02887	10.0
256.03717	6.0
257.04529	1.8
269.04529	1.5
273.04025	4.2
281.04523	1.8
285.04022	2.1
287.05548	5.0
289.07150	48.3
299.05609	5.2
339.08560	3.9
381.09720	1.6
407.07669	48.5
425.08926	15.9
451.10339	10.9
559.12537	1.3
577.13397	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74118	0.7
57.03456	16.5
64.94789	0.8
71.19701	0.8
81.03459	2.0
83.01383	7.1
88.98143	1.2
88.98762	1.1
93.03468	1.7
95.01386	1.0
95.05032	1.8
97.02944	6.8
107.05070	1.4
108.02200	1.0
109.02962	27.4
109.68763	0.8
115.59601	1.0
117.03420	0.8
119.57808	1.0
121.02950	4.4
122.03730	1.8
123.04527	24.1
123.39919	1.0
125.02441	100.0
131.04991	1.4
133.03000	6.8
135.04515	1.6
137.02441	23.4
139.04047	5.9
145.02905	1.3
147.04555	1.3
149.02461	8.0
150.03207	1.3
151.04027	21.2
159.04504	7.2
161.02452	29.3
161.06110	5.0
162.03209	3.7
163.00388	4.6
163.04027	6.0
164.01170	5.8
165.01942	7.1
166.63007	1.1
167.03497	1.2
173.06087	1.5
175.04012	14.0
175.07680	1.9
177.01926	7.8
177.05557	2.1
179.03520	6.4
187.04016	8.6
188.04654	6.4
189.01799	1.2
189.05595	1.0
193.05026	0.9
202.06432	2.1
203.03513	1.4
203.07164	13.6
205.01437	2.1
205.05083	11.1
211.04167	1.4
212.04735	1.3
214.02829	1.2
215.03438	1.1
217.05133	1.9
221.08139	1.5
225.05547	1.4
227.03577	1.6
227.07184	2.0
228.04324	1.7
229.04980	6.4
230.05893	1.2
231.03073	1.2
231.06737	1.7
243.03072	4.0
245.04552	6.1
245.08215	16.1
247.06113	1.2
253.05104	1.7
255.03093	10.9
256.03781	3.9
269.04633	1.7
273.04019	1.7
281.04456	3.9
283.02539	1.2
285.04129	4.5
287.05554	6.1
289.07211	57.8
297.04025	1.9
299.05676	4.1
339.08759	2.1
402.39340	1.0
407.07813	50.5
425.08884	20.4
451.10413	9.5
489.06516	1.2
511.30173	0.9
577.13440	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	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24979	0.3
59.01385	28.4
59.98531	0.4
61.73878	0.3
61.98829	0.5
78.95901	29.7
80.96529	1.9
96.96954	0.4
152.99594	4.1
168.04311	4.9
224.06979	9.5
225.00600	0.5
226.37170	0.5
242.08101	2.2
277.21756	100.0
278.22293	0.8
305.51682	0.4
371.43259	0.5
458.29837	0.5
502.29495	62.5
503.29813	1.7
577.26733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82275	1.0
54.82766	1.3
57.03460	18.1
66.65703	1.1
69.44794	1.0
72.30641	1.0
76.20600	1.3
76.57710	1.4
77.90266	1.2
81.03477	2.5
83.01418	6.3
91.38290	1.4
93.03487	2.2
95.05040	1.8
97.02975	5.5
108.02221	2.3
109.02977	27.1
121.02961	6.5
122.03745	1.8
123.04529	22.6
125.02454	100.0
131.05054	1.9
133.02962	5.9
137.02451	27.3
139.04030	3.1
147.04530	1.6
149.02483	7.5
150.03253	1.8
151.04033	19.4
159.04599	2.4
161.02452	33.1
161.06102	2.7
162.03186	1.8
163.00371	2.7
163.04047	8.4
164.01215	6.9
165.01953	5.4
167.03549	1.5
171.04442	1.3
173.06009	1.5
175.03992	13.5
177.01930	8.8
177.89453	1.4
179.03535	5.6
187.04008	12.6
188.04745	6.2
202.06400	1.9
203.07114	15.7
205.01440	2.3
205.05119	9.5
213.05611	2.7
215.03513	2.0
217.05199	2.5
227.07001	1.3
228.04271	1.9
229.05040	5.4
243.02972	2.9
245.04659	3.1
245.08217	14.2
247.06093	2.1
253.04790	1.9
255.03001	14.8
256.03897	5.6
257.04568	1.8
273.03986	2.2
281.04706	2.4
285.04141	1.6
287.05618	2.8
289.07233	49.3
299.05658	2.5
329.44153	1.2
339.08801	5.4
381.09634	2.0
407.07779	54.2
425.08853	18.0
432.37799	1.5
451.10684	11.0
577.13617	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	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46963	0.4
51.76716	0.4
53.23433	0.5
56.19239	0.5
59.01391	39.4
61.98856	2.5
71.01395	3.8
73.02946	0.8
75.00862	0.7
83.05025	3.0
85.02984	1.1
87.04545	0.5
89.02453	2.9
89.91325	0.6
92.10108	1.3
95.05029	0.6
97.06582	0.5
101.02440	1.4
108.02177	2.9
113.02560	1.8
116.92879	0.8
119.03488	0.7
123.04546	0.7
152.01169	0.9
169.34270	0.6
251.16447	0.7
253.09262	9.3
279.23306	100.0
458.53873	0.6
575.28937	1.0
595.91418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97813	0.1
58.37145	0.1
59.01382	3.6
60.01713	0.3
61.01815	0.2
61.98833	100.0
65.66093	0.1
65.95143	0.1
71.01381	0.4
76.93836	0.1
89.02419	0.3
92.10906	0.2
101.02453	0.4
102.02730	0.1
113.04214	0.2
124.64845	0.2
130.10210	0.2
228.18077	0.1
233.18037	0.2
253.09218	0.3
254.09601	0.6
255.09735	0.3
277.21722	3.8
278.22073	6.1
279.22403	4.2
280.22668	1.5
309.92813	0.2
357.64005	0.2
359.37149	0.2
508.75562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
57.18581	0.2
57.29913	0.2
59.01383	6.5
61.98834	100.0
62.59658	0.3
71.01376	0.3
75.53972	0.3
82.85014	0.3
85.02914	0.5
92.10790	0.6
108.09602	0.3
178.55711	0.3
194.72745	0.3
253.09361	0.5
255.09738	0.4
277.21725	4.6
278.22061	7.4
279.22400	3.9
280.22601	1.6
560.38055	0.3
573.23474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16175	0.8
55.01886	8.3
57.03464	5.2
59.01386	100.0
61.98830	0.9
69.03479	1.2
71.01383	65.7
71.86369	0.8
72.99319	0.9
73.02952	18.6
75.00864	1.0
83.01387	9.6
85.02953	35.0
89.02447	15.1
93.43178	0.9
93.62785	1.0
95.01406	5.3
97.02953	1.9
99.00887	9.8
101.02447	49.5
107.17677	0.9
113.02453	33.0
113.03238	1.1
115.94756	0.9
119.03524	4.2
125.02474	1.8
131.03505	29.6
143.03534	4.2
152.95790	0.8
159.03006	4.9
161.04576	24.7
246.71988	0.8
275.46140	0.9
359.54037	0.9
383.24487	90.4
515.28693	53.0
575.31482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	9.4
57.03467	11.0
59.01390	100.0
61.98841	17.9
62.01941	1.5
71.01390	83.0
71.01778	3.2
72.99325	3.1
73.02956	28.0
81.03494	2.2
81.14814	1.7
83.01413	12.2
83.05035	2.0
85.02950	40.7
87.00893	3.8
89.02456	20.7
95.01370	3.7
99.00881	10.3
101.02444	56.3
109.06617	1.8
113.02449	33.9
116.95728	1.9
119.03500	3.6
121.02924	2.1
123.08186	2.6
125.02493	2.1
131.03500	7.8
147.04533	2.8
149.09789	2.1
159.03021	4.1
161.04568	31.1
237.14923	2.6
266.19839	2.0
284.28741	1.9
287.18576	2.9
291.51605	2.2
327.70224	1.7
383.24417	73.1
392.94736	1.8
450.04816	1.9
479.43729	2.3
515.28723	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35104	0.5
55.01888	6.4
57.03466	5.9
59.01388	100.0
61.98838	2.8
63.06380	0.6
69.03478	1.0
71.01382	60.5
72.99322	3.1
73.02945	20.7
75.00890	0.7
75.69035	0.6
81.03459	1.0
83.01393	9.2
85.02952	31.7
85.03462	1.3
87.00879	3.2
89.02446	21.2
95.01393	5.0
97.02940	0.9
99.00869	9.0
101.02437	49.3
113.02449	29.0
119.03500	5.4
125.02438	1.4
129.01967	1.0
131.03496	29.8
143.03496	2.9
159.02965	5.5
161.04570	24.4
209.11891	1.0
312.13840	0.9
324.13187	0.7
327.16208	2.4
378.91739	0.8
380.24966	0.8
383.24451	81.6
515.28656	45.6
531.45416	0.8
575.31628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30620	0.9
54.82975	0.8
55.01884	5.1
56.44806	0.9
57.03454	3.7
59.01384	100.0
61.98826	1.3
65.06607	0.8
65.40739	0.8
71.01380	63.6
73.02942	20.3
79.24622	0.9
83.01379	9.9
83.04972	1.0
85.02955	30.2
87.00877	1.7
89.02439	15.8
95.01369	2.4
99.00866	8.0
101.02443	40.3
113.02467	26.4
119.03483	2.3
125.02430	1.6
131.03508	28.7
143.03526	1.8
159.02980	6.1
161.04561	24.9
236.63141	1.2
283.71396	1.2
303.61530	1.3
383.24454	69.7
422.74536	1.0
456.51328	1.1
515.28674	53.3
532.00519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2715
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
54.34216	0.4
55.01900	3.1
57.03456	2.6
58.00596	1.1
59.01385	60.8
61.98842	0.8
71.01383	30.9
71.01773	1.1
72.38224	0.5
72.99322	2.3
73.02956	6.1
75.52117	0.6
83.01380	4.3
85.02956	12.9
85.03372	0.6
87.00907	1.0
89.02441	22.0
95.01392	3.2
96.96006	1.1
97.02953	0.7
99.00892	3.3
101.02441	22.9
111.75445	0.6
113.02449	11.2
119.03492	7.6
137.40268	0.5
139.11319	2.2
161.04568	1.1
170.48784	0.7
201.11310	2.7
212.17639	0.6
353.23309	0.8
359.23969	0.6
395.20807	1.3
413.21872	100.0
414.22247	1.4
496.72409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81326	0.6
55.01905	0.8
58.00623	1.1
59.01383	51.6
59.25721	0.6
67.67001	0.7
71.01382	21.9
72.99286	2.6
79.95752	1.0
83.01396	1.1
85.02963	3.8
89.02437	30.2
95.01354	1.5
96.96007	21.6
98.95600	4.1
101.02444	18.2
113.02462	9.2
119.03501	14.7
125.02425	1.3
133.05086	0.8
136.88339	0.7
139.04042	0.7
143.03407	1.3
157.42319	0.7
179.05679	1.1
191.05606	1.6
295.10370	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	575.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66199	0.5
54.92413	0.6
55.01889	4.5
57.03458	3.1
58.00614	0.8
59.01385	46.2
60.17424	0.6
60.68726	0.7
61.98840	1.0
64.17979	0.7
69.03463	0.6
71.01387	37.1
72.99323	1.5
73.02943	7.4
83.01398	8.0
85.02956	17.6
87.00879	2.9
89.02451	15.5
95.01397	4.4
96.96010	4.8
97.02940	1.0
99.00888	3.7
99.04536	0.7
101.02448	27.3
101.58308	0.6
103.92719	0.6
112.01690	0.8
113.02455	15.7
116.92741	0.7
119.03506	7.2
125.02444	1.0
131.03467	1.2
161.04568	4.1
196.48203	0.7
221.06711	1.0
332.36917	0.7
353.23376	3.0
413.21878	2.7
486.46112	0.7
531.28351	0.7
575.27185	100.0
576.27649	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	573.2919
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
50.07878	1.2
54.25864	0.9
55.01891	7.1
55.37471	0.9
57.03465	5.6
59.01381	100.0
61.98849	5.8
62.43953	1.0
69.03485	4.4
71.01377	62.2
72.99320	2.2
73.02938	24.4
75.00866	1.2
80.96328	1.3
83.01378	10.3
83.05033	2.2
84.77164	1.4
85.02943	34.5
87.00856	1.6
89.02441	19.1
95.01398	2.4
99.00869	10.9
101.02438	51.2
102.42791	1.4
109.98805	1.1
113.02432	27.1
116.92844	1.5
121.02909	1.4
121.99557	1.3
125.02445	2.8
131.03491	32.0
149.04565	11.2
159.02992	7.6
161.04550	21.5
191.05667	4.8
210.46593	1.3
219.17613	8.7
243.14415	1.7
350.50937	1.3
381.22849	80.2
513.27057	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21473	0.2
55.01885	0.3
59.01385	19.6
65.44460	0.3
71.01385	3.1
73.02955	1.2
85.02966	0.6
89.02439	3.2
101.02442	3.5
113.02468	1.6
119.03494	0.4
127.07639	0.4
129.69386	0.3
139.37065	0.3
152.58862	0.3
161.04550	1.3
233.22726	0.5
235.08293	1.2
253.09312	10.3
277.21759	100.0
278.22095	1.6
528.09418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83174	0.2
55.01900	0.4
57.03479	0.3
57.95298	0.3
59.01391	17.3
64.07849	0.2
64.34784	0.3
71.01379	3.3
73.02972	0.4
73.67400	0.3
83.01422	0.3
83.05026	0.4
85.02959	1.2
89.02438	3.0
92.66242	0.3
99.00883	0.3
101.02430	2.6
102.04992	0.2
113.02441	1.4
119.03526	0.5
121.56489	0.2
127.52692	0.3
161.04539	1.2
203.14322	0.4
233.22833	0.4
235.08273	0.7
251.16339	0.3
253.09315	10.7
269.17590	0.4
277.21735	100.0
278.22037	1.3
436.35898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
65.38472	5.4
71.01382	48.8
84.17362	5.7
89.02455	71.3
93.48032	6.4
96.95992	20.9
101.02455	15.1
105.05302	6.5
113.02473	12.8
116.50782	6.7
119.03513	27.4
123.00901	9.5
138.03268	13.3
159.63759	6.1
179.05684	28.1
207.13731	7.0
207.57283	6.4
242.01872	6.3
600.43463	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	571.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	25.4
59.01381	69.7
61.98835	100.0
71.01402	7.1
71.05058	8.2
78.95921	30.3
80.07831	5.6
81.03442	6.3
83.05055	36.9
85.02969	28.8
87.71911	5.5
88.56696	5.4
95.05049	13.6
96.96953	7.4
97.06627	9.5
99.04501	23.7
109.06604	8.6
121.02978	9.6
121.06593	11.9
123.08205	7.7
135.08098	7.0
149.09735	11.3
151.11287	11.4
152.99583	36.5
193.12349	25.9
203.14372	10.5
219.13811	7.2
221.15536	25.6
233.15486	9.9
237.14969	27.2
249.14963	10.6
255.23318	52.5
265.14398	9.6
267.16034	13.5
299.14676	6.7
301.97717	5.8
465.28708	6.5
571.29260	40.3
598.15448	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	571.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.4
59.01384	42.7
59.08052	0.3
61.98845	1.6
63.19003	0.3
80.02702	1.4
81.03475	0.8
83.05033	5.2
84.02177	1.4
88.62701	0.3
92.10759	0.5
93.03443	0.3
95.05038	0.6
97.06602	0.4
99.04526	0.3
109.06631	0.6
111.39354	0.3
113.02470	0.4
116.92882	0.5
120.09148	0.4
123.08122	0.3
125.06119	0.4
125.09691	0.6
135.08163	0.5
143.55371	0.4
163.11290	3.7
165.09196	1.5
165.12866	2.6
171.10312	3.9
181.12518	0.5
191.10832	1.8
195.14035	0.4
209.11855	100.0
210.12175	0.5
227.12918	8.2
247.13429	1.3
350.53271	0.4
375.21628	0.5
418.37106	0.3
475.27252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98420	0.5
57.56109	0.5
59.01388	5.5
61.98829	0.7
68.43822	0.5
76.08687	0.6
82.36921	0.5
89.02448	0.6
91.89218	0.6
93.03452	3.2
95.05082	0.6
95.89925	0.6
108.38055	0.6
111.08223	0.6
121.02936	12.8
122.03731	13.2
123.04543	1.1
124.83432	0.6
131.10754	0.5
133.02925	1.1
135.04532	1.1
136.01651	0.8
146.33568	0.6
148.01677	0.6
149.02457	56.6
150.03241	100.0
151.04042	2.2
164.04811	13.5
164.76717	0.6
165.05585	77.9
166.06367	39.1
166.07402	0.5
167.07062	3.3
175.03993	2.7
180.04297	4.8
181.08725	18.0
181.12312	0.8
195.06645	32.0
241.05127	0.9
259.99136	0.6
269.08154	1.4
270.09091	1.1
285.07666	1.2
298.08377	0.9
307.17456	0.6
313.10876	4.0
314.11691	6.7
329.10336	2.3
329.13962	15.1
343.11911	21.2
373.18753	2.5
377.15881	2.6
391.13852	0.7
405.17606	0.9
525.21375	22.3
573.30859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	9.5
59.01384	100.0
59.49719	2.4
60.20460	2.1
61.98830	82.7
71.01381	35.6
71.05039	2.4
73.02956	10.8
76.58560	2.7
83.01428	3.3
85.02961	10.5
88.79843	2.8
89.02444	34.4
96.96004	57.8
96.96976	4.2
97.02937	2.7
97.06602	2.6
99.00874	3.3
101.02437	28.3
113.02442	10.1
119.03546	4.1
131.03491	12.6
149.04556	10.9
170.43771	2.5
191.05615	11.9
195.13983	3.8
239.12906	5.0
251.83307	2.5
265.14609	3.0
283.15549	24.3
377.24847	2.9
471.26355	3.8
508.35791	12.7
509.36325	24.1
533.33423	3.1
569.31177	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01673	0.7
55.01891	6.5
57.03469	5.0
57.70971	0.6
58.00611	1.2
59.01390	100.0
61.98859	1.4
69.03468	1.3
71.01385	62.1
72.99317	1.6
73.02952	19.7
73.03351	0.9
73.13501	0.7
75.00882	1.3
83.01386	11.5
85.02953	31.9
85.20675	0.8
87.00887	3.4
89.02441	20.5
92.10690	1.1
92.42555	0.7
95.01378	6.1
97.02974	1.2
99.00898	8.2
101.02441	47.4
113.02452	28.4
119.03512	4.8
125.02459	1.8
130.82286	0.8
131.03503	27.5
141.18292	0.7
143.03534	3.1
159.03024	4.2
161.04564	31.5
221.42122	0.8
256.45813	0.9
379.21310	80.0
385.44876	0.9
511.25586	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2736
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
54.82747	2.8
57.03452	4.2
59.01377	40.6
60.99316	5.3
61.98841	8.8
62.88265	3.3
71.01377	8.2
73.02953	4.7
83.05041	5.9
85.02958	6.8
88.23273	3.3
88.98807	41.0
89.02493	4.3
96.96022	17.2
98.95017	3.6
99.04520	4.8
101.02451	7.8
117.03480	7.6
119.05055	5.0
121.02907	5.5
145.02940	40.1
151.00410	4.3
166.51453	3.4
183.10402	4.4
224.68495	3.6
267.16049	15.6
283.15527	25.4
292.15997	4.2
299.15121	4.2
330.68631	3.9
334.29816	3.8
371.24454	4.4
377.25616	12.1
434.19101	4.1
522.54926	4.3
531.22345	14.9
533.23370	4.8
546.15259	4.4
569.27155	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	569.3103
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
57.03428	6.8
59.01377	92.0
59.01613	5.9
61.98830	42.3
62.48618	4.7
71.01376	28.1
78.73093	5.4
79.13589	5.2
85.02956	7.7
89.02448	33.1
99.00848	8.0
101.02427	27.2
101.73771	6.8
109.06580	6.2
113.02439	10.5
119.03519	8.0
131.03445	8.0
161.04506	6.7
228.03069	6.1
238.53583	5.8
268.09692	6.4
291.82166	6.8
338.93539	6.2
431.43210	6.1
484.54800	6.8
509.35834	27.9
569.31360	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	569.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	0.7
55.01875	5.2
56.17893	0.6
57.03460	6.2
59.01384	100.0
71.01381	47.7
71.01778	1.4
72.17264	0.7
72.99328	1.0
73.02942	17.0
81.11542	0.6
82.72716	0.7
83.01393	9.1
84.87341	0.7
85.02960	28.4
87.00893	3.2
89.02451	5.4
95.01418	4.1
97.02950	1.4
97.53455	0.7
99.00880	8.5
101.02447	39.4
102.83766	0.7
109.02985	1.1
112.69270	0.6
113.02451	21.1
123.04510	3.5
125.02444	3.1
129.01938	1.1
131.03500	23.0
132.46570	0.7
137.02489	1.0
143.03508	1.1
149.06087	1.0
151.07710	1.0
155.10834	1.2
159.02975	3.4
161.04556	22.9
167.03493	1.5
178.99657	0.9
199.09784	1.0
229.22710	0.6
239.05583	0.9
289.07178	1.3
377.18219	75.1
409.48959	0.7
427.95288	0.8
509.22372	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	569.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	3.6
56.54115	1.8
57.03459	15.8
59.01387	100.0
61.98843	16.0
69.03451	2.3
71.01382	41.4
71.01722	2.5
71.05042	4.4
72.99315	2.4
73.02946	16.7
74.26166	1.8
74.53431	1.8
83.01414	4.1
83.05036	4.2
85.02959	19.5
89.02451	31.7
96.03183	2.2
96.96048	10.4
97.02917	3.6
97.06631	3.0
99.00908	5.0
99.82201	2.0
101.02429	31.7
112.91805	2.2
113.02444	16.0
115.04065	3.8
116.92857	4.5
121.06622	2.9
125.02472	2.8
131.03508	23.3
135.08159	2.3
147.08218	2.2
149.04568	16.3
154.45413	2.0
161.04620	4.9
161.19824	2.3
175.29787	2.3
179.05597	3.5
191.05605	12.1
192.05969	2.2
213.12714	2.4
215.14456	3.2
247.13535	2.2
267.16031	2.3
283.15604	21.7
377.19815	23.7
509.23947	8.5
569.30695	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	568.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03475	0.4
59.01385	10.6
60.01704	0.9
61.01847	0.2
61.28366	0.2
61.98833	100.0
71.01382	4.5
72.01704	0.4
73.01791	0.3
73.02944	1.0
80.12857	0.2
83.01385	0.3
83.05035	0.3
85.02954	1.0
86.03288	0.4
86.62420	0.2
89.02443	2.5
90.02780	0.3
92.65768	0.3
101.02429	2.0
102.02756	0.3
113.02456	1.8
114.02792	0.5
119.03474	0.9
131.03461	0.4
133.70804	0.2
143.03531	0.3
154.35440	0.3
161.04538	0.4
345.29669	0.3
383.07693	0.2
490.21201	0.3
507.34521	1.8
508.35379	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	569.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79687	0.2
58.34649	0.2
59.01395	0.8
64.34586	0.2
71.01385	1.0
72.99299	0.2
75.00871	0.3
79.24880	0.2
79.95741	1.7
85.02940	0.3
86.57033	0.2
87.00882	0.9
96.96007	100.0
101.02455	0.3
103.00365	0.2
122.03741	0.3
122.94629	0.2
147.02997	0.4
150.72540	0.2
163.06125	0.3
239.12627	0.2
276.36499	0.2
357.77469	0.2
389.60107	0.3
471.17114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25407	1.0
57.03460	7.4
59.01378	100.0
61.98845	7.3
62.79882	1.1
71.01371	23.9
71.05036	1.8
72.70455	1.0
72.99326	2.3
73.02962	5.7
76.14162	1.2
78.55711	1.1
83.01400	2.0
83.05036	2.5
85.02947	9.9
87.00892	1.3
89.02438	22.7
95.01394	2.5
95.05013	1.3
96.96009	6.5
97.06612	2.2
99.00861	1.3
99.04523	1.7
101.02425	15.3
109.06638	1.7
111.08199	1.6
113.02472	10.8
118.03293	1.3
119.03506	7.6
123.08179	2.0
125.02464	1.9
127.54176	1.2
131.99564	1.4
149.23531	1.2
161.04541	4.5
161.09796	1.4
167.10834	1.5
167.28952	1.1
179.05623	4.8
283.15524	4.8
291.31894	1.4
297.13431	1.3
303.64154	1.2
317.98907	1.3
345.29993	15.5
507.35358	51.8
563.76514	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	567.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83050	0.4
55.01880	2.5
57.03449	7.5
58.00602	1.0
59.01381	100.0
61.98837	2.2
69.03444	0.7
71.01376	38.3
72.99308	2.3
73.02940	4.8
75.00883	0.5
78.53500	0.4
83.01385	2.4
85.02945	11.7
87.00867	2.1
89.02439	39.3
93.98191	0.4
95.01379	2.3
96.96017	0.9
99.00861	0.6
99.04506	0.5
101.00764	0.4
101.02435	22.0
102.10056	0.4
113.02438	14.6
119.03496	16.6
125.09725	0.6
131.03484	1.6
134.90791	0.4
143.03458	3.1
149.04504	0.6
155.14436	0.7
161.04590	6.3
169.15962	0.5
171.13837	0.6
173.11765	1.9
179.05627	11.3
209.15443	1.6
232.47588	0.4
253.14569	0.5
269.43567	0.4
281.13757	0.5
343.88889	0.4
345.30115	26.1
392.92715	0.5
420.33899	0.5
431.14374	0.4
465.43677	0.6
507.35416	49.5
508.36224	0.5
567.22290	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	567.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03463	4.1
58.00626	1.5
59.01384	100.0
61.98835	8.5
71.01379	36.0
72.99313	3.0
73.02942	11.0
79.15051	0.9
82.92770	0.9
83.01401	4.9
83.05048	1.3
85.02949	15.9
85.03383	0.9
89.02440	20.4
94.88004	0.9
95.01382	1.9
96.96026	4.3
99.00883	4.3
101.02435	25.9
113.02462	13.5
116.88493	1.0
119.03481	10.1
125.02425	1.0
131.03519	4.7
149.04626	1.0
159.03003	1.6
161.04552	8.6
179.05652	4.6
193.07697	0.9
208.62202	0.9
213.12860	4.6
242.91359	0.8
265.65503	0.8
267.16052	8.4
280.31818	1.0
280.42389	1.0
280.64752	0.9
281.13882	4.7
299.25946	1.2
345.30093	5.6
375.18185	14.9
507.22391	3.9
507.35303	52.5
545.89789	0.9
567.25873	4.4
572.88104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62377	0.7
55.01891	3.7
57.03448	6.2
58.00626	1.4
59.01386	100.0
61.53645	0.8
61.98840	6.6
69.90467	0.8
71.01384	34.3
71.01774	1.3
71.05042	1.4
72.99314	1.4
73.02955	11.2
78.72707	0.8
79.03417	0.9
81.03444	0.8
81.82838	0.8
83.01377	6.6
85.02959	19.9
87.00902	0.8
89.02444	20.3
95.01418	5.3
96.96011	3.7
99.00896	3.9
101.02440	26.8
103.02900	1.1
108.81796	0.8
113.02458	15.0
119.03515	4.7
125.02499	1.1
131.03517	6.4
137.05960	1.0
146.41808	0.8
149.04613	1.2
159.02971	1.5
161.04561	9.3
168.35777	0.9
177.09099	0.9
179.05652	4.1
205.16046	1.3
207.13812	0.9
213.12885	5.5
218.08205	0.9
223.17079	1.3
261.35089	1.1
267.15991	8.3
281.13971	1.3
345.30109	6.0
375.18222	18.4
447.02753	1.0
468.85800	1.0
472.83994	0.9
506.34290	1.6
507.22476	5.5
507.35318	50.6
567.26074	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	568.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17365	0.1
59.01384	0.2
61.98834	100.0
70.92938	0.2
89.03260	0.2
92.10056	0.4
101.05650	0.2
101.79438	0.2
131.79219	0.2
138.75490	0.2
140.46390	0.2
149.87778	0.2
162.63101	0.2
163.45166	0.2
195.30176	0.2
392.68332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45529	0.2
51.95635	0.2
55.01894	0.4
57.03465	0.5
59.01392	8.4
60.01744	0.3
60.03077	0.2
61.98843	100.0
69.58430	0.2
70.44229	0.2
71.01398	2.5
71.01757	0.3
73.02958	1.3
75.46566	0.2
76.58273	0.2
83.01433	0.3
85.02978	1.2
87.04515	1.8
88.00415	0.3
89.02473	0.3
92.91434	0.2
96.96011	0.4
97.67362	0.2
101.02422	2.0
113.02453	1.2
121.02945	0.6
151.03990	0.3
175.07674	0.3
205.85191	0.3
207.10291	0.4
309.84534	0.3
345.30228	0.3
346.16406	0.4
377.22089	0.4
462.44781	0.3
507.35434	3.7
508.35815	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	567.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01828	0.8
55.01879	7.4
57.03457	6.1
59.01385	100.0
61.98844	5.4
68.76034	1.0
69.03461	1.3
71.01380	55.9
71.01776	1.9
72.99312	1.4
73.02948	17.3
75.00893	1.6
77.46540	0.9
83.01389	10.5
85.02955	37.0
87.00896	1.8
89.02431	11.7
95.01414	3.6
96.96024	2.1
97.02940	2.0
97.06600	0.9
99.00884	11.1
101.02441	46.3
101.03091	1.8
102.44996	0.8
113.02449	25.5
116.07178	0.8
116.92880	0.9
119.03547	1.1
125.02464	3.8
125.05968	0.9
131.03497	15.9
143.03525	2.1
149.04561	5.1
159.02991	4.6
161.04565	22.7
190.75328	0.9
191.05617	1.3
200.42073	1.0
212.85884	1.0
213.12894	22.5
267.16168	1.9
281.13858	1.4
293.08945	1.6
300.99829	1.0
375.18173	76.3
506.34393	3.6
507.22513	17.9
507.35028	14.3
570.40344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
57.03456	12.5
59.01386	100.0
61.98834	16.2
69.03448	3.2
71.01381	44.4
71.05030	2.1
73.02952	9.8
75.00872	1.5
78.95905	2.0
81.41496	1.4
83.01387	7.5
83.05025	2.6
85.02951	19.3
87.04536	2.8
89.02435	10.4
93.83696	1.7
95.01399	2.5
95.04973	2.0
96.95999	6.0
97.06564	2.6
98.13745	1.6
98.80394	1.5
99.00868	3.2
99.04524	2.1
101.02438	29.0
109.06586	2.7
111.04514	1.8
113.02446	14.1
116.92821	2.2
119.03504	2.3
123.08195	2.4
132.46146	1.5
153.09288	1.7
155.14392	1.7
161.04549	6.6
163.11295	1.8
167.10753	17.9
172.03317	1.4
183.12068	1.4
183.13774	2.0
185.15326	2.1
193.16026	3.1
219.13831	2.2
253.18271	1.8
345.30133	34.0
490.10336	1.6
507.35474	69.1
541.17572	1.5
567.32361	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	567.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.3
57.03457	7.4
59.01386	92.9
61.98842	4.0
69.03453	1.0
70.84221	0.7
71.01386	29.9
71.01774	1.2
72.99345	1.3
73.02950	9.0
75.00872	1.1
83.01387	7.7
85.02950	19.8
85.03393	1.4
86.00147	0.8
87.00912	3.5
88.98811	6.0
89.02442	7.1
92.72433	1.0
95.01407	2.2
96.96018	2.3
99.00869	2.3
101.02441	29.7
111.00890	4.5
113.02459	13.5
119.03485	1.6
125.02407	1.5
136.01659	1.1
137.02452	1.0
137.09750	1.0
151.04047	1.9
152.04349	0.9
159.02959	1.4
161.04477	7.3
168.76849	0.9
193.12428	1.4
243.19643	1.4
265.14444	7.0
297.13654	1.3
299.25919	1.4
340.36487	1.0
343.15652	1.4
345.26529	1.2
345.30099	9.0
363.19699	1.1
405.24609	1.3
439.61169	1.0
507.35468	100.0
508.35739	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	567.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71840	0.6
55.01897	3.0
57.03468	3.4
58.00624	0.9
59.01387	100.0
59.67284	0.5
61.98838	2.6
68.88122	0.6
71.01383	35.3
71.01765	1.3
72.99325	1.3
73.02951	7.3
83.01412	3.1
83.05056	0.7
85.02948	14.6
85.03437	0.6
87.00899	0.9
88.65065	0.6
88.98828	0.8
89.02443	23.1
95.01419	2.8
96.52951	0.6
96.74540	0.6
96.96028	1.4
99.00904	2.7
101.02451	23.3
113.02454	15.4
119.03513	7.2
159.03015	1.3
161.04558	10.3
166.02631	0.8
179.05623	3.9
181.05101	1.1
213.18633	1.0
213.86639	0.7
265.14307	1.0
345.16168	1.2
345.26492	1.4
345.30109	8.5
405.18207	1.0
507.35489	79.9
521.32953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2435
Annotation	Taxumairol W
Peak:m/z	Relative Intensity
54.82275	0.7
55.01881	3.0
57.03455	3.3
58.50610	0.7
59.01376	25.3
61.98837	1.3
71.01372	11.6
72.99300	1.0
73.02950	4.2
74.39878	0.8
81.08690	0.8
83.01405	3.5
83.05032	3.1
83.89613	0.7
84.30848	0.7
85.02956	8.3
87.00885	2.7
89.02435	6.3
95.05021	0.9
96.96024	1.0
97.06577	1.3
99.00880	1.1
100.63090	0.7
101.02439	7.9
108.02145	5.4
109.02966	1.5
113.02453	4.5
119.03465	0.7
121.02925	5.4
123.00929	0.8
123.04523	5.2
125.02374	0.8
137.02426	1.0
140.44093	0.8
148.05328	0.9
153.05457	1.0
188.08389	0.8
189.12933	1.0
197.04559	3.5
200.04716	1.2
209.06035	0.9
211.04028	1.0
227.03522	2.8
228.04282	28.1
229.05011	19.0
243.06616	64.6
244.07422	5.4
251.12831	1.0
253.05084	5.6
256.07361	3.3
257.08136	3.7
258.08871	6.9
267.16165	2.7
271.09741	7.5
281.13882	9.1
330.14752	8.1
331.15341	0.9
345.17023	19.3
345.26273	1.3
360.59155	0.8
507.22327	100.0
508.22220	1.3
567.24615	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	567.2447
Annotation	Taxumairol W
Peak:m/z	Relative Intensity
55.01887	3.4
57.03465	2.7
58.00598	1.2
59.01385	23.9
59.06440	0.5
70.81116	0.5
71.01379	13.6
73.02943	5.4
77.20271	0.5
83.01399	3.8
85.02950	7.4
85.06608	0.6
86.00132	0.6
87.00871	1.0
89.02430	4.6
95.01387	0.7
96.96027	0.7
97.06633	0.8
99.00876	2.1
101.02441	10.4
109.02954	1.3
111.00874	0.7
113.02415	5.8
117.03466	0.7
119.03519	0.9
121.02944	14.0
122.03743	13.9
123.04527	1.1
124.01634	0.9
135.04559	2.3
136.05350	1.0
137.02458	2.7
145.02989	5.0
146.00511	0.6
148.05292	0.7
149.06094	10.9
151.00394	3.0
154.02673	1.2
161.06078	0.6
163.04059	0.6
163.07669	2.3
165.05560	3.0
168.35910	0.6
175.07594	1.1
179.05597	0.9
197.04558	1.4
239.05637	1.1
265.14496	5.3
281.14001	1.1
301.03506	2.9
313.14313	0.8
330.14798	15.3
330.18558	1.1
331.15485	3.5
345.12866	1.0
345.17139	51.3
345.26404	12.0
507.22418	100.0
508.22885	1.2
521.33466	3.7
531.22406	3.6
567.25037	1.0
576.01105	0.7
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	Unknow
Peak:m/z	Relative Intensity
55.66874	1.1
56.53874	1.0
57.03457	1.2
59.01393	6.1
67.05527	14.5
69.03454	34.3
69.03796	1.3
89.02449	2.3
96.96033	6.7
101.02478	2.6
109.06614	6.6
110.03790	1.4
111.04532	89.8
112.53734	1.2
113.02455	16.0
119.08675	12.1
121.06600	2.2
130.46350	1.0
133.02966	21.4
135.04500	9.5
137.09708	10.4
161.02455	100.0
163.04037	1.5
179.03517	12.9
181.08699	37.6
190.70602	1.2
191.05725	1.6
196.22028	1.1
225.07710	88.3
341.08774	32.7
540.10626	1.4
578.73468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73006	0.6
57.03431	0.6
58.00600	1.5
58.86089	0.6
59.01385	50.5
66.69369	0.6
71.01384	19.0
71.49140	0.7
72.99319	0.9
73.02946	5.9
82.41749	0.6
85.02957	6.4
87.04519	0.8
89.02442	21.3
95.01391	1.5
95.05040	1.5
99.04513	1.5
101.02467	10.1
113.02467	11.1
119.03510	4.9
131.03534	0.8
137.06160	0.8
163.11324	9.6
163.12589	1.1
181.12367	42.4
182.12640	0.9
207.10260	3.7
225.11369	100.0
239.12784	0.9
243.12460	1.5
249.11307	0.9
267.12439	2.4
387.16528	7.7
405.17719	75.7
406.17987	1.0
447.18866	0.8
567.23029	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	567.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23457	0.9
57.03455	1.9
58.00593	4.0
59.01375	57.2
59.60957	0.8
60.26686	0.9
68.97340	0.9
71.01369	24.4
71.01725	1.5
72.99300	2.1
73.02950	6.4
73.10109	0.8
79.30220	1.0
80.60431	1.1
85.02938	9.9
85.29618	0.9
87.00868	1.7
87.04518	1.5
87.23907	0.8
89.02428	25.8
92.10087	2.3
92.14817	0.9
95.01379	1.7
95.05021	1.6
99.04522	6.1
101.02438	11.3
107.05047	1.1
108.24635	1.1
113.02435	12.2
119.03456	9.5
131.03453	1.2
163.11316	12.1
179.05634	2.1
181.12335	43.4
195.13947	1.7
207.10295	1.9
225.11320	100.0
239.12842	4.5
243.12418	1.3
249.11423	1.1
265.10153	1.1
267.12430	8.0
291.13605	1.2
371.10736	1.1
387.16507	5.1
405.17657	80.3
406.17728	1.2
447.18646	4.7
476.54929	1.0
507.20639	1.7
567.22931	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	565.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91578	0.5
57.03446	5.3
58.30496	0.5
59.01383	100.0
61.98838	6.1
65.81001	0.5
69.03457	0.6
71.01386	2.8
71.05044	0.7
73.02974	1.0
75.00886	0.5
83.05043	5.1
85.02964	2.8
85.06584	0.6
87.04573	0.6
92.10110	1.0
95.05045	0.9
95.28964	0.6
97.06573	0.9
103.16978	0.6
111.08188	1.3
121.06567	0.6
123.08165	1.3
125.09689	0.9
136.22057	0.5
137.09721	1.1
139.07607	0.6
149.09731	1.1
163.11293	4.9
163.19038	0.6
165.12833	4.5
169.37703	0.6
175.11342	0.7
179.14432	2.3
181.12335	2.8
182.27495	0.6
189.12761	0.7
191.14438	2.6
193.12263	0.7
203.14459	0.7
205.16025	0.7
207.13918	0.9
209.15407	4.0
217.16087	0.9
219.17554	0.7
221.15540	1.1
233.15430	7.7
235.17102	0.9
249.15132	0.7
251.16580	4.1
253.18091	5.4
269.17752	1.0
337.31873	0.6
340.52005	0.7
488.35812	0.6
505.35217	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04344	0.6
54.07262	0.6
55.01877	1.2
57.03449	5.4
58.00599	1.3
59.01374	100.0
61.98829	1.8
69.03450	1.3
71.01369	30.3
71.44321	0.6
72.99299	1.7
73.02934	5.4
83.01388	3.6
83.05035	3.4
85.02941	12.2
87.00877	1.6
89.02422	31.2
89.02926	1.3
92.65382	0.9
93.07108	1.1
95.01388	3.5
95.04998	0.8
96.96018	1.7
97.02946	1.1
97.06571	0.8
99.00854	0.8
99.04477	0.8
101.02421	19.9
104.40005	0.8
107.05076	0.8
109.06597	1.7
113.02416	14.0
116.92778	0.7
119.03475	15.1
121.02929	1.4
125.06068	1.1
125.09669	0.8
135.08159	0.9
137.09677	0.8
143.03508	1.6
155.14404	1.4
161.04568	6.8
163.11269	1.7
167.10789	5.3
179.05598	8.4
207.10268	1.7
209.11809	6.2
225.11203	1.1
251.16370	0.9
266.99994	0.8
269.17670	1.0
297.92670	0.8
343.28561	10.3
430.98413	0.9
505.33939	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03454	6.4
59.01384	100.0
60.01718	0.4
61.98832	4.7
62.33854	0.3
66.32755	0.3
69.03455	2.3
70.39413	0.3
71.01395	0.7
71.05004	3.0
73.02937	0.7
75.00894	0.6
81.03436	0.4
83.05038	3.1
85.02963	0.8
85.06600	0.8
87.04524	0.5
92.10741	0.5
95.05041	0.5
97.02960	0.5
97.06596	1.8
99.04541	0.4
107.05057	0.5
109.06586	2.8
111.08165	1.9
113.11259	0.4
121.06605	0.7
123.04584	0.4
123.08160	1.5
125.06032	0.5
127.07642	4.2
135.08076	0.3
137.09694	0.4
139.07707	0.6
147.04546	0.6
147.08142	0.5
149.09669	0.5
151.11287	0.6
155.10732	0.4
161.09651	0.4
163.11276	4.2
164.49554	0.4
165.12851	2.9
177.12892	0.5
181.04785	0.4
181.12340	1.6
183.13905	1.9
191.14439	2.1
193.12321	2.1
193.15900	0.4
195.13828	0.5
203.14563	0.6
205.15968	0.8
209.15488	5.7
215.14522	0.8
217.15945	0.8
219.14005	0.4
221.15547	0.4
233.15506	8.7
235.17085	1.8
237.14804	0.3
251.16595	3.9
253.18082	6.0
267.16064	0.6
269.17654	1.9
339.05429	0.4
383.34567	0.4
417.26505	2.0
505.35406	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	565.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74226	0.3
57.03454	0.5
59.01383	100.0
61.98859	0.5
70.51438	0.4
71.01383	2.8
73.02939	0.9
79.11258	0.4
85.02956	0.8
89.02450	0.7
101.02448	2.6
121.03000	0.5
133.29506	0.5
228.01735	0.5
229.90602	0.5
234.31313	0.5
249.62259	0.5
269.08151	2.6
283.09836	0.7
299.09229	1.1
311.09366	2.2
314.11618	3.1
326.11459	1.8
329.14011	8.2
341.13913	4.8
343.21393	0.8
373.22351	2.5
407.19559	0.5
505.26447	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71427	0.5
59.01381	6.5
61.98820	1.9
69.57923	0.7
71.01397	4.5
72.50517	0.6
72.99322	1.1
73.02966	1.0
83.05048	0.7
85.02967	1.2
89.02456	3.2
89.44112	0.6
101.02440	1.6
102.43327	0.7
107.05108	0.6
109.02953	2.5
116.92924	1.4
121.02934	1.7
124.01684	3.5
125.02393	1.1
133.02985	0.8
135.04532	0.8
135.08151	1.0
137.02448	16.1
138.03235	7.1
139.04059	4.8
142.18700	0.7
149.28537	0.9
151.04007	4.8
152.04752	3.5
153.05602	4.0
165.05475	0.7
175.04051	3.0
176.04802	3.0
177.05569	8.1
189.05553	2.7
191.07111	5.7
205.05083	5.1
206.05865	13.4
219.06680	3.9
220.07373	9.2
221.08226	4.7
233.08235	0.9
266.09921	0.8
281.08005	0.8
283.09793	5.0
311.09317	9.1
315.08911	0.8
326.11810	6.1
329.14172	0.9
330.11081	2.5
331.91464	0.9
341.13971	12.1
345.13525	4.5
355.12180	1.3
359.14728	0.7
373.12985	47.4
373.22305	2.9
388.15338	48.7
388.20313	1.6
389.16013	1.0
403.17682	100.0
404.18140	1.0
487.20419	0.7
565.29523	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	565.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75569	0.4
59.01385	15.8
61.98844	0.5
65.76365	0.5
66.44551	0.5
67.83970	0.4
71.01395	2.7
73.02980	1.1
83.01406	0.6
84.95146	1.0
85.02972	1.1
87.99884	0.4
89.02464	1.1
91.40456	0.5
95.01397	0.5
101.02485	1.2
108.02187	1.1
109.02970	4.9
111.00916	1.3
113.02450	1.1
116.39106	0.5
120.98355	0.5
121.03076	0.6
123.00893	8.3
123.04472	0.8
123.37525	0.6
124.01666	4.8
134.03685	0.7
135.04449	0.7
136.01660	33.4
137.02441	5.5
138.03238	0.8
148.05273	0.6
149.06123	3.8
151.00418	4.8
151.04022	53.1
152.01117	2.4
152.02324	0.7
160.05287	0.8
161.04601	1.2
161.05962	0.8
163.04027	0.6
163.07675	1.2
164.04808	1.0
165.05585	10.6
166.02710	14.0
167.03513	2.6
173.06110	0.7
175.07629	6.9
176.08395	2.8
178.06358	0.7
179.07094	0.8
181.05078	13.0
190.06398	2.9
191.07138	7.0
203.07172	1.0
205.08650	1.0
206.09586	0.8
213.34215	0.5
295.09799	3.3
310.12048	3.7
313.10904	1.1
325.14487	3.8
328.09332	0.6
328.13214	18.4
343.15552	100.0
349.77728	0.6
403.17691	17.2
505.33838	3.0
565.36804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
58.00624	1.4
59.01387	49.1
66.64285	0.8
67.05534	1.3
71.01382	27.2
71.21852	1.0
72.99308	1.0
73.02940	1.2
74.35634	0.7
79.99287	0.8
82.27950	0.8
83.01398	1.8
83.95082	0.8
85.02966	7.2
89.02436	21.1
95.01390	2.1
96.95990	0.9
99.04498	7.5
101.02435	11.1
111.04521	1.7
113.02425	9.5
116.92906	2.2
119.03465	6.4
124.05267	3.2
125.06084	2.2
131.03543	1.1
135.11798	6.3
137.30472	0.9
161.04588	1.8
161.09711	10.9
165.05461	1.1
179.05644	1.4
179.10782	45.4
181.01505	0.9
196.03503	0.9
203.10858	0.9
205.08714	1.6
211.06195	4.0
223.09782	100.0
248.85107	1.1
265.10849	4.6
325.12875	1.8
361.20920	0.9
385.15131	18.1
403.16165	60.1
404.16544	1.2
408.46350	0.9
418.29535	1.0
440.29910	1.1
565.21600	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	565.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
61.98840	1.5
68.16739	0.6
68.43944	0.6
71.01397	3.7
73.02946	1.0
83.05042	1.2
85.02981	0.8
89.02462	1.5
92.10129	0.8
93.58659	0.7
96.96023	0.9
101.02418	1.5
109.02969	1.1
113.02493	0.8
121.02956	1.0
124.01700	1.6
125.02424	1.8
135.04584	0.8
137.02469	15.6
138.03249	8.8
139.04037	5.3
151.04039	3.9
152.04782	1.6
153.05614	5.8
165.01985	1.3
175.04024	1.1
176.04797	1.4
177.05522	6.6
184.03784	0.8
189.05637	0.8
191.07146	4.8
205.05087	5.7
206.05821	9.5
219.06624	4.7
220.07411	7.8
221.08180	3.0
233.08240	1.1
283.09799	3.7
311.09366	9.5
326.11652	4.8
330.11359	1.6
331.24765	0.8
340.09631	1.0
341.13922	9.1
345.13403	3.9
355.11743	1.6
373.12991	51.9
373.22507	1.3
388.15366	40.4
403.17688	100.0
404.18161	1.3
465.32709	0.8
487.20187	1.1
565.30688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.2
56.03233	0.7
57.03456	6.1
59.01387	88.7
61.98831	1.4
66.69295	1.0
68.69175	0.9
71.01387	57.4
72.47344	0.9
73.02952	19.9
78.71042	0.8
83.01393	13.0
85.02960	30.6
85.03446	1.2
87.00893	1.7
89.02456	8.1
92.10779	1.9
93.52921	1.0
95.01404	3.9
97.02989	2.3
99.00897	11.4
101.02448	54.0
105.21193	1.1
113.02454	24.3
116.92851	6.1
119.03486	1.1
119.05040	4.7
125.02383	1.5
131.03519	19.5
135.08124	1.3
136.01624	1.3
143.03522	1.4
151.00365	4.5
159.02986	4.0
161.04576	22.7
177.01924	1.4
179.07050	1.2
199.80978	1.0
271.06207	8.6
373.22357	100.0
417.21133	7.2
505.26599	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0484
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
50.62825	0.2
62.96408	1.0
78.95905	100.0
79.95756	0.2
92.10120	0.2
96.96003	11.5
96.96957	38.3
103.07237	0.2
111.02013	10.7
112.23025	0.2
120.96983	2.5
136.94035	1.0
138.98051	3.5
150.98036	3.7
158.92558	18.0
164.03598	0.3
164.49068	0.3
174.98029	1.2
176.93585	1.1
192.99034	1.2
211.00163	4.2
233.44078	0.3
241.01230	8.5
272.95761	5.1
280.02307	1.3
305.01813	0.5
320.98083	1.7
323.02914	40.5
376.30542	0.3
378.81253	0.5
380.80817	0.4
384.98651	2.7
391.84317	0.3
402.99792	0.5
420.82462	0.3
422.81699	0.5
490.27548	0.3
565.04871	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	565.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83218	0.6
55.01878	0.8
57.03455	0.8
58.00592	0.6
58.03549	0.6
59.01383	74.8
59.28505	0.6
61.92196	0.5
67.05532	1.0
71.01378	32.3
72.99317	1.2
73.02962	0.9
81.92248	0.6
83.01391	2.7
85.02942	7.3
86.46452	0.5
87.00868	1.0
89.02441	33.7
92.10112	0.5
95.01366	2.7
97.15918	0.6
97.33829	0.6
99.04525	7.5
101.02448	15.5
107.05054	0.7
111.04515	1.4
113.02452	15.0
119.03500	10.9
123.96362	0.6
124.05302	3.1
125.06047	1.1
133.10245	1.0
135.11806	8.6
143.03546	1.1
146.07329	0.9
149.04524	0.8
153.01889	0.7
161.04573	1.4
161.09746	11.8
179.05615	7.2
179.10789	56.9
181.01456	7.8
196.03810	10.6
203.10857	0.9
205.08681	1.4
211.06128	9.3
223.09779	100.0
224.10095	0.7
265.10773	4.6
297.56650	0.6
359.17145	2.6
385.15097	18.3
403.16129	65.3
424.60617	0.6
565.21545	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	565.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.5
57.03469	1.0
58.00606	3.2
59.01384	100.0
60.27949	0.7
63.31641	0.8
67.05527	1.0
71.01382	44.8
71.01769	1.7
72.99326	4.6
73.02959	1.4
75.00872	0.8
76.24505	0.8
83.01400	3.2
83.56313	0.8
83.85006	1.0
85.02939	12.8
87.00890	1.5
89.02441	50.9
93.03535	0.9
93.28583	0.8
95.01409	5.6
99.04501	8.5
101.02442	24.5
104.16130	0.9
107.05019	1.1
111.04573	3.6
113.02450	23.2
115.00425	0.9
116.92933	1.6
119.03499	17.7
123.04601	0.8
124.05313	1.9
125.02444	1.6
131.03493	1.0
133.10258	4.3
135.11807	9.6
143.03537	1.4
146.06229	0.9
157.37120	0.8
161.04588	5.8
161.09731	17.9
161.48035	0.8
175.02499	1.1
179.05646	11.4
179.10782	67.5
186.37599	0.9
191.02116	0.9
193.12601	0.9
197.81650	0.9
205.08708	1.3
221.11813	1.3
223.09778	92.3
241.11023	0.9
265.10904	5.3
269.12936	1.2
299.10181	0.9
325.12726	1.0
359.17184	5.3
384.36139	0.9
385.15115	14.2
403.16171	92.9
404.16528	1.2
431.14847	1.1
445.17252	3.7
505.19495	1.4
565.22827	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	563.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63948	1.3
55.01897	1.8
57.52428	1.6
58.90369	1.3
59.01384	81.1
71.01379	60.3
71.01761	1.7
72.99318	2.0
73.02961	8.8
81.18075	1.5
83.01394	3.2
85.02956	17.1
87.00872	19.5
89.02440	88.2
95.01402	2.4
97.02943	2.4
101.02435	41.8
113.02448	29.2
119.03467	12.1
125.76303	1.5
129.01939	2.0
131.03484	2.7
143.03482	8.7
149.04666	1.7
161.04578	10.0
179.05637	34.6
191.05663	13.9
221.06706	47.3
323.09784	2.9
341.10938	2.8
404.82867	1.7
503.16226	100.0
503.23831	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27479	0.9
51.54678	1.0
55.01894	1.2
57.03474	1.2
58.00610	2.8
58.62830	1.1
59.01384	96.3
67.25953	1.3
71.01380	51.1
72.99301	2.3
73.02946	6.3
75.02254	1.0
75.66608	0.9
82.10619	1.2
83.01394	2.5
85.02947	11.2
89.02439	100.0
96.95994	5.7
99.00866	10.1
101.02441	38.1
103.17743	1.1
113.02448	10.6
115.49742	1.2
116.92911	1.2
119.03517	5.8
125.02441	1.8
129.01926	2.9
131.03500	82.2
137.06155	1.3
149.04568	82.0
167.07118	6.0
171.62080	1.2
173.04596	2.7
191.05626	45.2
221.06700	8.0
251.07747	7.8
263.07782	1.8
293.08899	1.6
293.79749	1.3
311.09811	10.7
401.65262	1.3
445.85559	1.2
563.23425	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37607	0.4
54.93491	0.6
55.01899	5.6
57.03469	5.1
58.00603	0.7
59.01390	61.5
67.38613	0.5
69.03467	0.8
71.01388	46.9
72.27216	0.6
72.99323	2.1
73.02950	18.3
79.76303	0.5
83.01392	9.7
85.02956	26.2
87.00893	2.7
89.02448	16.6
95.01402	4.2
96.96006	0.7
97.02958	1.9
97.18832	0.5
97.75405	0.5
99.00866	7.3
101.02442	47.5
113.02450	24.0
119.03506	4.9
123.08248	0.5
125.02436	0.9
129.01915	0.8
131.03510	6.4
143.03528	2.3
159.02963	4.4
161.04575	14.4
164.00227	0.5
186.13228	0.8
209.15526	6.0
371.20779	100.0
372.20905	1.0
503.25082	39.4
563.27673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98672	0.7
55.01893	3.5
57.03465	4.8
59.01384	100.0
61.98859	1.3
70.14242	0.9
71.01378	47.1
72.99334	1.5
73.02937	12.0
75.00853	1.1
80.75905	0.8
81.03480	0.8
83.01372	7.1
85.02955	22.6
87.00890	3.6
89.01910	2.0
89.02439	29.4
95.01438	1.2
96.96045	0.9
99.00887	4.5
101.02443	38.4
101.03097	1.7
105.72742	0.9
109.51141	0.8
111.04424	0.9
113.02459	24.2
119.03500	10.2
125.02442	1.0
131.03499	24.6
143.03456	3.5
159.03043	1.8
161.04538	13.2
175.07491	1.0
191.05614	3.7
199.31108	0.8
200.91974	0.9
208.93503	1.1
222.69205	0.9
263.12924	0.9
341.91318	0.9
358.03397	1.0
371.20822	80.0
503.25070	37.8
503.32391	1.7
563.28723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83033	1.0
55.01892	1.8
55.17365	1.1
55.94263	0.9
57.03462	4.1
59.01386	100.0
60.02309	1.0
61.98829	2.3
69.03465	1.1
71.01383	44.0
72.35178	0.9
72.99329	1.6
73.02948	14.7
83.01381	7.5
85.02949	24.3
87.00874	2.3
89.02445	30.9
89.02995	1.2
95.01392	2.3
96.96030	1.5
97.02913	1.2
99.00880	5.4
101.02440	35.2
111.00838	1.1
112.07926	0.9
113.02455	21.0
114.53333	1.1
119.03477	10.1
121.02931	1.2
125.02458	1.9
127.77351	1.2
131.03508	20.2
143.03516	1.6
149.04515	1.2
159.02997	1.8
161.04575	14.9
191.05501	1.5
228.90733	1.2
252.39467	1.2
255.03052	2.1
284.03223	1.6
312.34387	1.1
325.32327	1.2
371.20801	72.7
503.17862	1.9
503.25107	51.8
503.32428	2.5
563.17328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79500	1.6
59.01385	100.0
65.78764	1.8
75.84241	1.8
76.23373	2.0
78.28259	1.8
159.33061	2.0
220.14694	2.4
231.80261	1.9
235.17134	2.9
376.54657	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	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37607	0.4
54.93491	0.6
55.01899	5.6
57.03469	5.1
58.00603	0.7
59.01390	61.5
67.38613	0.5
69.03467	0.8
71.01388	46.9
72.27216	0.6
72.99323	2.1
73.02950	18.3
79.76303	0.5
83.01392	9.7
85.02956	26.2
87.00893	2.7
89.02448	16.6
95.01402	4.2
96.96006	0.7
97.02958	1.9
97.18832	0.5
97.75405	0.5
99.00866	7.3
101.02442	47.5
113.02450	24.0
119.03506	4.9
123.08248	0.5
125.02436	0.9
129.01915	0.8
131.03510	6.4
143.03528	2.3
159.02963	4.4
161.04575	14.4
164.00227	0.5
186.13228	0.8
209.15526	6.0
371.20779	100.0
372.20905	1.0
503.25082	39.4
563.27673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	3.1
59.01385	26.7
71.01397	18.0
73.02954	10.4
78.24971	1.8
83.01405	2.7
85.02968	10.0
87.00886	40.8
88.27737	1.9
89.02460	10.0
95.01385	8.9
96.96017	56.1
97.02959	9.9
98.95590	2.5
99.00879	15.5
101.02449	4.8
111.00893	4.6
112.98827	7.5
113.02435	3.8
119.03484	3.6
123.00880	12.0
129.01923	2.5
138.03201	7.9
147.04602	2.1
149.02463	4.3
151.00429	3.0
152.91769	4.0
153.05600	13.2
153.70320	1.9
159.04478	2.7
161.02449	14.1
161.04575	2.3
163.04041	13.5
164.04788	12.9
166.02718	9.9
173.00896	13.4
174.01689	3.2
175.04021	8.3
176.04761	13.0
177.01884	8.2
178.06348	17.5
179.03537	24.0
179.05766	3.3
179.07144	24.8
181.05029	4.7
187.60582	2.1
190.02684	2.6
191.03496	16.1
191.07257	2.7
192.59111	2.0
193.08739	12.8
194.05887	33.9
203.03537	12.5
205.05092	9.3
206.05830	11.3
209.08246	24.3
218.05910	3.0
219.03000	10.3
221.08260	11.4
231.03107	3.0
233.08322	2.0
234.05406	7.0
235.92241	2.0
237.07671	3.1
246.05310	2.5
247.02461	11.0
249.07666	15.9
261.04099	4.0
261.07770	2.8
262.04758	23.3
265.07199	13.5
274.05203	2.3
276.06436	8.3
277.07211	72.6
289.07153	8.6
291.08508	3.3
307.08301	13.4
309.04190	2.2
337.09390	27.5
361.37024	2.1
487.14780	27.6
545.82513	2.3
563.16290	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	563.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.5
56.80589	1.3
57.03466	1.6
59.01382	20.5
61.74817	1.3
64.37937	1.3
71.01382	23.3
73.02950	9.2
83.01395	6.2
85.02962	3.0
87.00877	36.4
89.02457	11.4
95.01370	2.7
96.96007	37.7
96.96595	2.2
97.02955	8.4
99.00872	12.8
101.02453	11.0
107.05074	1.6
109.02939	1.3
111.00877	9.0
112.98808	6.4
113.02441	8.2
115.28843	1.4
117.01913	2.9
117.88300	1.3
119.03483	2.6
123.00870	10.8
129.01953	6.8
138.03226	9.7
142.99872	2.8
149.02463	8.0
151.04037	2.2
152.91847	1.7
153.05571	10.6
158.44753	1.6
159.04434	1.7
160.01584	2.1
161.01221	1.7
161.02435	11.9
163.04007	13.8
164.04808	15.5
165.05573	1.8
166.02707	8.3
173.00954	16.3
174.01689	3.3
174.03146	2.4
175.03987	8.1
176.04817	12.4
177.01874	14.2
178.06349	13.8
179.03546	24.2
179.05627	3.6
179.07062	18.3
181.05052	3.4
189.05666	2.4
190.02734	7.6
191.03523	23.9
191.07155	6.8
192.04175	1.6
193.05154	2.6
193.08687	15.3
194.05862	28.0
203.03522	12.6
205.05066	10.2
206.05864	13.6
207.06618	2.4
209.08223	29.9
215.03412	3.4
218.05840	8.0
219.02991	10.2
221.08240	15.9
231.02921	3.4
233.04555	3.5
233.08221	1.6
234.05325	8.8
235.06253	2.3
237.07797	3.2
246.05339	2.5
246.84505	1.8
247.02438	7.8
249.07701	15.3
250.88766	1.5
252.93082	1.6
261.04001	7.7
261.07581	1.5
262.04788	26.2
265.07193	13.8
276.06418	3.6
277.07184	80.4
289.07233	8.5
291.08838	5.9
302.45389	1.7
307.08301	14.8
335.06360	1.6
337.09314	28.4
339.27527	1.7
353.07593	2.4
439.13092	1.6
487.14688	31.9
518.93909	1.6
550.37183	1.9
563.16254	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	563.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74760	0.2
52.25011	0.2
59.01389	2.4
67.33886	0.3
71.01398	1.1
79.95763	1.5
83.64929	0.2
89.02449	0.4
96.96014	100.0
107.01402	0.5
109.94375	0.3
117.03435	0.3
125.02446	1.1
127.07661	1.4
143.26498	0.3
151.00417	3.4
151.04016	1.3
164.03442	0.5
164.04810	12.1
171.06673	1.4
175.02428	0.3
178.99811	0.4
179.03523	0.3
179.07149	11.3
183.57530	0.3
253.15277	0.3
277.12878	0.3
285.04050	2.0
293.04596	3.3
341.12445	4.2
413.08902	0.6
465.10590	2.2
521.12195	0.3
563.14227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33052	0.1
50.93991	0.1
51.39902	0.1
59.01381	0.2
65.00327	0.3
67.45370	0.1
79.95734	2.0
87.00867	0.3
96.96009	100.0
107.01385	0.8
114.39559	0.2
115.00365	0.3
116.92854	0.2
125.02483	0.2
150.03160	0.2
151.00404	3.0
151.03999	1.0
175.02432	0.2
180.33974	0.1
188.36995	0.1
285.04025	2.3
354.84677	0.1
465.10480	1.6
526.12982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23214	1.4
54.30460	1.2
54.44941	1.2
55.01889	7.9
57.03453	20.2
59.01383	62.5
69.03481	2.5
69.31999	1.6
71.01383	45.4
72.99312	2.2
73.02937	14.5
81.03461	6.8
83.01387	20.7
83.56268	2.2
85.02945	26.2
87.00906	1.6
89.02431	16.8
93.03455	2.9
95.01414	3.4
95.05031	9.6
96.96052	5.3
97.02954	9.1
99.00900	8.7
99.04517	7.2
101.02443	35.9
109.02960	6.4
113.02457	20.2
113.06068	2.1
119.03476	6.5
121.02928	3.6
125.02441	56.0
131.03513	2.9
137.02438	61.0
139.04077	2.8
149.02480	2.6
151.03999	9.5
155.56354	1.5
159.02939	1.6
159.04652	1.5
161.02591	1.6
161.04559	10.5
163.00421	1.7
164.01173	10.8
165.01939	21.1
167.03514	27.0
173.06105	3.6
179.03503	3.3
181.05032	8.9
185.06073	9.8
187.04086	2.1
188.04799	3.0
189.05585	9.6
197.02534	2.2
197.06242	1.6
199.04065	3.4
201.05673	15.0
205.05101	2.5
209.06152	2.7
209.15508	6.1
211.04024	8.3
212.04802	7.0
213.05589	24.4
214.02739	3.3
215.03506	12.8
217.05092	6.8
223.04062	2.3
224.04823	1.7
225.05605	8.6
227.03526	6.4
228.04382	2.0
229.05136	25.7
231.06593	3.9
239.03448	2.7
239.07196	2.1
240.04294	6.8
241.05093	100.0
242.05846	2.4
243.03008	6.7
249.05559	2.6
251.03481	5.8
253.05180	15.0
256.03909	1.8
257.04642	31.1
259.06110	3.2
263.03320	1.9
263.07266	2.4
265.05032	3.3
266.05804	2.3
269.04626	32.2
269.07776	3.0
277.05179	2.6
279.06546	2.6
281.04510	9.3
283.09720	7.6
291.06741	2.4
293.08163	2.1
295.06256	2.3
305.08307	2.1
311.09427	13.9
319.06192	1.6
321.07788	2.6
326.11472	6.2
335.09140	2.5
339.08649	2.9
341.13913	12.7
361.07425	2.7
363.08829	3.7
371.20810	80.4
377.06540	2.1
379.08255	5.8
389.06998	5.9
395.07925	3.8
397.09274	2.3
401.18466	2.0
407.07886	10.1
425.08502	11.0
503.25079	38.7
545.10645	3.7
563.11975	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35537	1.8
51.98061	1.8
56.41269	2.5
56.47926	1.9
57.03458	35.4
58.81385	2.1
59.01388	86.5
61.98837	10.9
69.03486	1.9
72.33954	2.0
73.41914	1.9
74.10408	2.2
75.62871	2.0
83.05067	3.2
83.10950	2.2
85.02989	2.8
87.61026	2.1
97.02967	12.0
97.06609	11.0
99.00879	9.4
104.20448	2.3
111.00903	2.6
118.52924	2.3
121.06612	3.9
125.09734	4.9
137.09764	8.6
151.04027	32.0
151.07668	43.1
152.08470	58.7
158.53683	2.5
162.10576	3.9
171.10326	10.1
184.07404	12.7
190.09973	4.6
191.14441	14.2
193.08713	3.2
207.17575	94.2
208.11060	3.7
209.15509	77.7
247.01016	2.7
247.17096	4.9
247.20872	3.5
251.16573	33.2
252.10095	11.5
265.18082	19.7
290.04501	2.2
291.16391	3.4
291.19678	31.7
309.11612	3.4
309.17117	100.0
309.20779	72.4
320.82428	2.3
466.44458	2.4
501.32065	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.57679	0.7
57.03442	1.1
58.00611	1.1
59.01384	100.0
64.86672	0.9
71.01379	53.2
71.29572	0.8
72.99314	1.6
73.02941	6.7
83.01376	1.9
85.02939	10.5
87.00887	1.1
89.02441	79.4
92.10802	2.5
93.03462	1.3
95.95638	0.7
96.96000	36.2
96.96957	2.0
97.15646	0.7
99.00883	6.0
101.02447	31.0
111.04539	1.1
113.02441	7.8
119.03497	3.5
125.02478	1.1
129.01918	1.2
131.03499	56.2
137.02484	1.2
149.04564	48.2
149.23790	0.9
151.07674	1.2
155.03506	1.1
191.05627	31.5
199.02708	0.9
221.06653	4.4
225.11362	5.1
251.07761	1.3
257.13861	1.3
281.08850	1.1
311.10004	2.1
381.15503	1.4
517.33838	1.3
523.22113	4.5
561.21899	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	561.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
57.03446	0.8
58.00614	2.9
59.01385	100.0
61.96491	0.6
71.01382	43.4
72.99309	0.9
73.02943	5.6
83.01393	3.5
83.91702	0.6
85.02951	8.7
87.00919	1.0
87.02777	0.6
89.02443	69.9
92.10076	1.6
96.95990	8.6
99.00867	6.8
101.02444	29.2
109.00243	0.6
113.02440	6.0
119.03515	2.8
125.02460	0.8
129.01938	1.5
131.03503	56.7
137.09724	2.7
145.15720	0.6
149.04568	45.5
191.05637	31.3
221.06680	3.9
232.17703	0.8
251.07738	3.1
311.09952	2.5
370.73203	0.7
523.21747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82695	0.5
54.96912	0.5
56.54245	0.5
57.03455	1.0
59.01386	100.0
61.98830	7.6
61.99073	0.5
62.05867	0.5
71.01412	0.6
73.02977	0.9
77.37623	0.5
83.05052	2.3
85.02996	0.7
95.05032	0.6
97.06586	0.6
99.04532	0.7
113.30995	0.5
121.03004	0.6
123.04462	0.6
163.11250	0.7
181.12402	2.4
209.15582	0.7
213.03778	0.5
231.53737	0.6
269.17612	1.2
333.26068	0.7
559.32794	0.7
576.89111	0.6
580.34558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01382	30.7
61.98840	2.8
71.01378	4.0
89.02474	2.0
93.03439	2.0
96.96012	4.5
101.02469	2.5
121.02942	2.6
196.37389	2.2
252.71066	2.4
272.04831	3.0
325.54092	2.8
337.23779	2.9
353.18124	2.0
395.22528	2.4
492.05054	2.3
523.34955	10.4
559.32556	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59578	0.5
55.01878	0.9
57.03445	0.9
58.00595	1.0
59.01376	100.0
60.71742	0.4
64.60311	0.4
65.34160	0.5
66.91480	0.4
69.03450	4.1
71.01369	30.0
72.99303	1.9
73.02931	13.0
81.03445	2.2
83.01369	4.2
83.05010	0.6
85.02940	13.4
87.00860	2.2
88.98755	0.6
89.02431	17.0
95.01366	0.8
96.95991	0.9
97.02943	6.1
99.00840	1.9
99.44187	0.5
101.02424	15.7
103.03996	13.4
109.02927	0.6
113.02435	1.9
119.03477	6.9
125.02428	17.9
127.03989	0.7
131.03506	1.9
135.04523	3.4
141.08000	0.5
141.09201	0.5
143.03476	1.6
145.05025	3.1
154.91176	0.5
163.04004	30.3
163.06079	15.0
178.06329	23.1
193.08685	9.9
242.66142	0.4
247.08171	4.4
251.28285	0.5
268.85895	0.4
289.09299	0.6
307.10345	12.9
353.08786	0.5
371.50827	0.5
387.51129	0.5
499.26776	0.6
531.78381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2404
Annotation	Cichorioside L
Peak:m/z	Relative Intensity
57.03470	1.2
59.01385	15.0
60.17030	0.6
61.98820	0.9
71.01379	2.8
71.05023	0.8
73.02946	3.2
78.95889	6.8
79.95734	0.9
83.05030	1.4
89.02462	4.3
90.76790	0.6
96.96007	100.0
96.96902	8.8
97.06625	1.0
99.04507	17.2
101.02446	2.9
131.03497	2.8
135.08171	1.1
143.10797	0.7
191.05621	0.7
203.14481	7.8
213.11313	0.9
221.15485	47.8
247.13281	1.0
265.14481	84.3
337.23987	3.5
347.12778	0.7
452.39276	0.8
559.23590	1.7
559.32233	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	559.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60858	1.7
57.03466	3.3
59.01385	100.0
61.98841	18.6
64.68865	1.9
66.51325	1.7
68.36891	1.8
69.03447	3.2
71.01376	31.6
73.02944	48.6
83.01413	10.7
85.02960	7.6
88.98830	2.5
89.02484	8.2
90.90160	1.9
93.03504	1.8
100.31748	1.8
101.02425	28.7
113.02453	9.7
115.04021	42.4
123.69444	1.8
125.02437	3.4
131.03545	2.9
161.04584	2.7
164.85559	1.9
177.16560	8.9
189.41417	1.9
261.84177	1.9
275.20193	9.1
293.21262	64.1
337.23737	2.6
515.28711	54.0
546.97955	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	559.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03485	4.5
59.01397	23.5
71.01399	19.0
79.97707	4.4
80.36506	4.0
84.44237	4.1
89.02477	6.9
92.10123	15.9
108.09525	4.8
115.00466	5.0
121.02941	6.4
165.05605	9.4
217.68921	5.4
361.16556	36.4
523.21912	100.0
559.19788	20.4
559.32318	6.5
587.61151	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	559.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40469	0.5
57.03453	0.8
58.00607	1.3
59.01385	65.5
65.48963	0.6
71.01384	27.2
72.99304	2.4
73.02966	1.5
75.00876	0.6
76.74484	0.5
79.95718	0.9
83.01424	1.3
85.02962	6.3
89.02447	37.6
95.01395	2.3
96.96012	94.8
98.95594	1.0
101.02445	21.8
101.96125	0.6
113.01712	1.0
113.02463	14.0
115.03983	0.7
117.05579	9.0
119.03510	14.9
128.11197	0.6
133.05107	0.7
135.73300	0.6
157.28288	0.5
181.23096	0.7
201.75603	0.6
213.64633	0.7
261.83755	0.7
278.09601	0.6
279.10864	1.2
295.10388	100.0
315.07330	0.8
432.93976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83455	1.1
55.01887	1.8
57.03455	5.0
59.01384	100.0
61.98844	2.5
69.03462	1.4
71.01380	28.7
73.02942	56.9
77.12701	0.9
77.59461	0.9
77.61749	1.1
78.90533	0.8
83.01390	11.4
85.02961	2.0
86.87830	1.0
87.00903	1.0
89.02462	4.5
92.10063	2.0
93.69297	0.8
97.02963	1.8
97.06588	0.9
101.02445	31.4
113.02452	6.2
115.04018	53.3
121.02998	1.3
125.02468	1.1
131.03503	2.4
143.03549	1.9
148.05315	1.3
161.04572	5.2
163.07635	2.1
167.24345	1.2
175.14900	8.1
184.12675	1.0
229.19693	6.5
258.15829	1.1
273.18832	8.0
291.19708	77.6
309.20642	1.1
335.22427	4.5
364.31491	1.1
408.02463	1.2
471.25854	4.7
496.01071	1.2
513.27136	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42177	0.1
59.01408	0.1
63.50876	0.1
78.95893	0.2
79.95737	1.6
85.02922	0.2
96.96003	100.0
108.02181	1.4
109.02933	1.2
152.01166	1.5
153.01979	0.3
177.01804	0.2
193.27446	0.2
279.10638	0.2
296.00156	0.1
405.30963	0.2
461.13312	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	559.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	1.0
59.01391	2.1
67.17767	1.1
67.75089	1.1
68.76753	1.1
72.99316	22.7
81.07114	2.1
85.02954	1.6
92.10219	2.1
96.95378	2.3
96.96011	66.6
98.95586	1.4
99.08150	12.3
113.06101	2.3
115.07657	86.9
123.04519	1.7
129.05583	58.5
134.03728	2.3
135.04533	29.3
143.07156	33.9
153.05524	1.4
161.02498	1.6
179.03513	25.1
191.05620	48.0
205.05232	3.2
205.07199	100.0
243.08644	1.6
353.08841	27.0
363.52448	1.4
420.70084	1.4
431.41711	1.6
483.12033	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	559.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34661	5.1
57.52895	3.8
59.01387	9.8
59.36657	4.8
62.12621	4.4
80.79108	4.5
84.43430	4.7
94.98080	4.7
95.54680	5.0
96.96046	4.6
113.85661	4.8
116.06184	5.6
117.11610	4.5
122.08732	5.0
124.53513	5.1
163.04019	5.6
171.31888	5.3
180.07956	25.0
195.06581	6.4
227.12975	38.1
275.43625	5.1
295.10513	4.7
311.70630	5.4
331.04755	5.9
331.15237	7.0
361.16449	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	557.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61605	0.6
57.60086	0.7
59.01364	2.5
61.98577	0.6
61.98825	6.7
86.33781	0.8
92.10134	3.1
93.03465	5.5
99.78339	0.8
100.93191	0.7
105.70192	0.8
106.03026	0.8
108.02180	3.5
109.02959	9.6
111.04556	0.9
121.02959	33.0
122.03745	26.8
123.04539	7.0
124.01659	0.9
125.02435	4.2
129.03461	1.5
132.02153	5.4
133.02962	19.9
134.03777	13.7
135.04506	5.2
136.01645	2.9
136.05281	1.4
136.66592	0.8
137.02457	15.2
138.03238	4.5
139.03989	3.1
145.02982	6.1
146.03772	3.4
147.04544	19.2
149.02455	41.8
149.06090	14.2
150.03238	100.0
151.03928	3.1
152.04698	0.8
154.02632	0.9
160.04099	0.9
161.02440	1.6
161.06133	6.5
162.03217	1.8
162.15150	0.8
163.04033	3.4
164.04807	8.8
165.05576	76.4
169.01334	0.8
175.07619	0.9
176.64507	0.8
177.05583	3.0
179.07140	13.7
180.04370	1.8
189.05579	1.1
190.06369	1.7
191.07106	1.7
195.06660	11.4
206.05785	1.1
207.06599	4.5
221.03119	0.8
271.04868	1.0
297.11365	1.2
299.12836	1.3
315.12387	3.4
317.13937	0.9
327.12384	3.0
329.10324	8.0
329.14032	4.7
342.70642	0.8
344.12701	33.1
346.14423	7.4
347.15024	11.4
359.15067	69.7
360.15463	3.3
361.16632	48.2
401.09927	0.9
415.17361	6.7
509.21872	77.2
510.22403	1.0
521.20593	15.0
539.22754	5.6
557.16229	0.8
557.23834	6.6
557.30634	1.5
571.02509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11692	4.4
54.81712	4.8
55.01900	5.2
57.03461	6.0
59.01382	67.4
61.98845	23.5
62.03104	4.9
70.34592	6.1
71.01396	20.0
73.02965	7.0
77.06330	5.0
78.38349	5.4
79.45341	5.6
83.01386	40.6
85.02940	6.5
89.02467	11.6
95.95374	5.4
96.96009	5.6
97.06565	6.8
101.02470	6.5
117.69421	5.9
121.14516	5.4
122.03733	9.3
136.78741	5.2
149.02428	6.9
150.03261	10.9
165.05585	7.5
180.21159	5.3
183.10358	10.5
185.31015	6.4
199.07599	8.0
214.21869	5.4
230.75856	5.5
270.09125	7.2
285.11362	6.9
341.10342	40.5
356.12872	11.5
357.13553	100.0
358.13724	6.1
359.14108	7.1
371.15189	55.5
496.32422	8.7
497.32538	12.5
517.94257	6.0
534.96613	8.3
567.49097	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	557.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94170	0.2
59.01402	1.2
67.01894	0.3
71.01406	0.8
73.88256	0.2
77.18029	0.2
83.05033	0.2
85.02964	7.0
85.03462	0.3
87.00882	1.5
89.02467	0.2
91.05558	0.2
93.03470	2.3
96.96039	2.8
98.95616	0.2
99.04513	0.3
109.02983	0.8
111.04546	1.0
117.05566	0.8
121.02934	0.3
127.04002	1.9
133.02982	0.8
135.04486	1.3
149.06120	0.2
161.02440	1.7
171.02991	0.4
173.04573	1.0
179.03485	1.1
191.05644	100.0
192.05983	0.8
216.96539	0.2
239.05611	0.3
353.08810	10.2
353.94699	0.2
420.20639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	14.0
57.27247	5.7
59.01392	100.0
61.98848	38.8
69.08997	5.6
71.01395	26.3
73.02956	26.1
83.05025	12.7
84.77268	6.7
85.03011	9.6
87.00890	9.8
89.02422	8.2
93.03462	13.2
96.96021	30.7
97.78867	6.8
101.02457	7.9
109.02981	9.9
109.06580	7.9
110.85718	5.7
113.35368	6.0
113.76668	5.5
121.02976	38.2
125.02489	8.2
137.02431	7.9
151.00443	12.1
151.07645	14.5
151.39970	6.6
166.06377	7.7
227.07133	26.1
287.18723	9.8
301.03741	13.8
311.11743	5.9
328.67731	5.7
343.15454	10.0
365.13763	6.9
375.62360	6.1
439.66248	7.4
475.26743	7.5
521.33417	12.6
557.14740	8.3
557.31140	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64002	34.4
59.01392	62.8
61.50686	34.0
116.55364	41.0
117.49448	35.3
124.16658	44.8
242.43208	40.5
283.93796	43.0
289.97876	51.5
329.13959	100.0
516.66168	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	54.9
61.98854	14.0
63.26833	7.5
69.44675	8.2
71.01402	13.3
89.02455	51.7
96.95988	14.6
101.02428	12.7
111.08165	16.7
119.03490	14.0
135.04527	100.0
161.02420	12.4
163.93669	8.8
177.47028	10.5
202.41446	10.4
226.99117	10.8
249.99689	8.9
283.09738	22.7
311.09235	82.3
314.08368	9.7
326.11667	56.5
341.13824	75.8
359.11420	38.3
398.51718	10.4
521.20483	42.5
557.17731	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	555.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	8.4
59.01389	81.5
63.28633	4.0
71.01399	22.2
73.02943	35.2
85.02962	7.0
87.00883	5.2
89.02482	5.9
101.02464	19.0
113.02422	5.6
119.03436	4.8
120.68356	3.6
122.03728	10.0
142.95174	5.5
149.02441	67.7
150.03249	67.3
152.67532	4.2
164.04825	7.6
165.05571	47.3
195.06624	23.6
267.15845	6.6
268.16354	8.2
269.13943	20.0
309.69604	5.0
329.13962	17.2
333.26328	19.3
341.14001	5.5
363.23703	7.5
438.90427	5.1
462.16797	5.6
477.19232	10.6
495.31635	17.2
507.20282	71.4
555.21417	4.8
555.29468	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	555.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58257	1.0
57.03466	5.8
59.01387	15.7
59.01616	1.1
60.89128	1.0
61.98858	2.2
67.10302	1.0
71.01407	2.6
73.02979	1.3
83.05018	1.4
85.02981	2.0
87.04556	1.7
92.10777	2.7
101.02448	2.3
109.06603	1.8
110.16335	1.2
127.07565	1.5
137.09726	1.4
205.16064	1.4
211.20313	1.2
213.82382	1.1
223.02914	1.1
227.16544	6.7
235.62288	1.2
249.14897	1.7
267.16092	14.5
268.16318	9.7
269.14059	1.4
269.16562	3.0
283.15775	1.5
304.25378	1.2
309.43823	1.3
327.25409	7.7
333.21124	1.8
357.26538	100.0
358.26840	1.5
459.87253	1.1
555.29260	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15704	0.4
54.05578	0.5
57.03471	0.6
57.55788	0.5
59.01389	2.8
62.19965	0.5
66.46896	0.5
71.01358	0.8
85.55703	0.5
89.02448	0.8
93.03439	1.4
100.87539	0.6
108.02193	3.5
109.02965	12.2
116.12277	0.6
121.02969	3.6
122.03745	9.4
123.04510	5.5
123.05350	0.6
124.81625	0.6
132.02156	3.2
133.02960	10.9
134.03743	3.2
135.04546	5.9
136.01634	1.4
143.69882	0.7
147.04500	3.3
149.02454	32.0
149.06102	1.3
150.03235	95.5
151.04019	8.1
159.04532	5.0
163.03986	1.0
164.04836	7.6
165.05574	44.1
173.06081	4.0
180.04282	3.3
181.05058	1.4
189.05562	4.5
191.07199	1.2
195.06642	16.0
202.69957	0.6
203.07158	1.5
209.11787	3.5
240.04314	2.6
241.05083	7.1
255.06612	3.0
263.07184	0.8
267.06699	2.5
269.08179	2.8
279.06500	0.6
281.08176	2.5
283.09726	1.0
295.09659	1.0
296.06912	0.8
297.07828	6.4
297.10773	0.8
298.08459	0.8
299.09290	7.9
311.09283	2.4
313.10904	10.4
328.09509	0.7
329.10251	3.7
344.12695	14.8
345.13434	3.6
357.13596	1.0
358.14362	0.9
359.15060	24.1
403.11786	0.8
420.54160	0.7
431.15015	1.3
443.14996	2.7
447.14502	3.7
461.16162	10.6
470.34671	0.6
477.15561	4.1
492.17798	0.7
495.31552	2.6
501.96719	0.6
507.20325	100.0
508.20050	3.2
555.22418	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	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32991	0.8
55.01867	1.3
56.95757	0.9
57.03453	1.2
59.01383	82.0
59.40495	0.8
61.93671	0.9
64.26729	0.9
71.01382	39.3
71.22333	1.1
72.99311	1.4
73.02962	1.7
75.56815	1.1
83.01398	4.1
85.02933	8.7
88.98831	1.4
89.02438	33.2
95.01373	2.2
99.00860	1.2
101.02440	25.8
113.02454	12.0
119.03518	11.5
128.53024	1.1
146.03737	1.5
174.03853	1.2
243.47002	1.0
256.86978	1.3
327.12268	1.6
336.62811	1.1
375.20663	2.1
396.18790	1.1
474.47299	1.2
524.72742	1.5
555.26624	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	555.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11245	0.1
58.08318	0.2
59.01380	2.5
60.48447	0.1
67.60366	0.2
71.01382	0.9
75.35680	0.2
77.01286	0.2
78.95901	0.3
79.95730	1.6
85.17321	0.2
87.03623	0.2
88.98801	0.3
89.02424	1.3
96.96004	100.0
101.02432	0.8
119.03487	0.2
134.98978	0.2
136.01645	0.3
139.96556	0.2
155.67537	0.2
164.68956	0.2
173.04567	0.3
191.05582	0.3
265.08118	0.2
285.16840	0.2
457.17249	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	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14246	0.4
59.01396	0.4
62.79754	0.4
69.25074	0.4
92.10731	0.9
93.03487	4.0
95.05067	0.9
99.01920	0.5
105.03522	0.7
108.02202	0.5
121.02956	13.1
122.03741	13.8
123.04530	2.0
132.02130	0.7
133.02975	3.0
134.03688	0.5
135.04526	0.8
136.01578	0.9
147.04486	0.8
148.01662	0.7
149.02457	98.9
150.03239	100.0
162.03197	0.8
164.04822	18.4
165.05577	75.2
166.06342	0.5
179.07130	1.2
180.04352	7.1
181.08794	0.6
195.06647	29.2
225.09439	0.6
226.06371	0.6
226.08467	1.1
237.09302	0.8
241.08786	2.3
253.08754	0.9
253.52724	0.6
254.09474	0.5
255.10291	0.6
255.48016	0.5
265.08615	0.8
267.10281	2.1
268.07550	0.5
268.11053	1.2
269.08344	6.7
269.11639	5.7
281.08273	1.2
283.09784	2.7
296.10501	3.6
297.11322	16.5
298.08612	1.0
298.11963	1.8
299.09311	4.9
300.10016	2.4
309.11761	0.5
311.09293	6.6
311.12994	3.9
314.11627	8.0
315.12372	3.1
325.10742	1.0
326.11511	4.8
327.12421	0.9
329.13931	11.2
341.13864	6.0
403.12158	0.9
419.15094	0.6
431.14935	7.3
433.16559	7.9
461.16061	1.2
462.16968	6.1
463.17551	0.7
477.19193	21.2
489.19257	2.8
492.18262	2.7
507.20300	94.6
508.20651	2.0
543.94531	0.5
555.22296	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	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
61.98836	2.1
67.39753	0.2
78.95901	18.8
122.98525	0.4
131.67055	0.3
152.99591	2.8
157.72832	0.3
159.15147	0.3
168.04263	3.8
224.06958	7.0
234.21352	0.2
242.08055	1.7
255.23317	100.0
256.23682	0.6
280.07846	0.3
396.00827	0.3
480.31024	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81814	0.4
54.78630	0.4
57.20145	0.4
59.01406	0.4
60.99315	18.2
62.00846	0.4
65.00333	5.3
83.01383	1.9
88.98801	100.0
91.44060	0.5
107.01396	8.4
123.03423	0.4
123.04476	3.0
125.02435	3.5
133.02876	1.2
135.04459	0.7
150.03239	4.5
150.99150	0.9
151.00374	27.8
151.04033	6.9
152.01093	2.1
165.05699	0.5
178.99826	2.7
199.04034	0.6
214.16153	0.5
241.04782	0.5
253.34238	0.5
285.04047	21.8
293.74451	0.5
303.04916	0.8
465.10422	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	555.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01385	4.3
60.99315	19.0
63.95424	0.5
65.00325	3.9
65.61713	0.5
67.30727	0.5
67.68491	0.5
69.22006	0.5
71.01398	2.6
78.49276	0.5
83.01405	2.7
83.05065	0.6
88.98815	100.0
89.02447	0.9
92.88969	0.5
93.03452	0.6
101.02421	1.0
107.01399	7.3
119.03514	0.7
119.05021	6.0
120.99623	3.2
123.04513	0.9
125.02448	4.5
133.02988	0.8
145.02960	0.7
149.02524	1.0
150.03232	2.2
151.00374	31.3
151.03992	5.4
152.01089	0.9
153.94019	0.5
165.01942	1.3
169.01459	0.6
177.02022	1.0
178.99860	0.7
217.05257	0.7
229.04984	0.6
267.12415	0.7
267.16010	1.0
271.06177	14.7
285.04086	11.7
309.65973	0.5
315.47046	0.6
392.18311	1.2
433.11450	8.7
465.10406	16.1
555.26294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00518	0.3
55.01876	0.3
57.03455	6.4
57.58952	0.2
58.96281	0.2
59.01382	6.5
61.98831	0.6
63.35949	0.3
69.03479	0.5
70.42290	0.3
71.01402	1.5
71.05041	1.2
73.02969	1.2
78.23235	0.3
81.03494	0.5
83.01435	0.4
83.05048	1.5
85.02981	1.3
85.06593	0.3
87.00906	0.3
88.85375	0.3
89.02444	0.5
95.01434	0.4
95.05003	0.3
95.08666	0.7
96.64641	0.3
96.96005	1.1
97.06605	1.6
99.04558	0.4
99.64001	0.3
101.02457	0.6
108.48439	0.4
109.06620	1.3
111.08181	0.6
121.06612	0.7
123.08149	0.5
135.11832	1.8
137.06084	1.2
137.09729	4.6
139.07645	0.6
139.11273	0.5
149.09720	0.6
151.11319	0.4
161.04774	0.3
165.12860	0.5
166.54037	0.3
177.12811	1.3
177.83961	0.3
193.12361	1.3
193.15968	2.3
195.13802	0.4
195.17566	4.0
203.14526	0.5
205.12444	0.3
205.16008	8.4
221.15491	0.8
223.17058	3.3
237.15038	0.4
249.14996	6.1
251.16611	1.3
253.14555	0.3
265.14462	3.2
266.14886	1.9
267.16043	100.0
268.16309	0.6
283.15552	2.7
331.19144	1.5
355.24606	0.3
448.12598	0.4
493.34024	0.6
553.33917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.04564	0.1
57.03450	1.3
59.01374	4.4
61.98811	0.1
64.42784	0.1
66.90003	0.1
69.03445	0.7
70.88919	0.1
71.01385	1.3
71.05009	0.7
73.02956	1.0
73.59772	0.1
76.57752	0.1
81.03461	0.4
81.65863	0.1
83.05034	0.9
85.02943	0.2
85.06593	0.3
86.84458	0.2
89.02443	0.3
95.05023	0.3
96.96001	0.2
97.06577	0.6
99.04527	0.2
108.02164	2.2
109.06594	0.3
110.07173	0.2
111.04528	0.2
112.68272	0.2
113.02448	0.2
121.10166	0.2
123.08131	0.7
125.09704	1.4
135.08098	0.2
137.09720	0.3
139.11279	0.2
141.01630	0.2
148.37749	0.2
151.07674	0.2
151.11255	0.3
153.12836	4.1
163.11301	0.2
165.09065	0.2
167.55588	0.2
179.14333	0.2
187.14938	0.3
189.12837	0.2
191.14386	0.2
193.15887	0.4
197.11777	0.2
203.14404	1.2
205.15974	5.2
207.13898	0.3
221.02783	0.2
221.15483	4.0
221.17488	0.3
223.17039	1.1
231.13893	0.7
249.14941	7.6
265.14462	0.2
267.16003	100.0
268.16318	1.5
281.13919	0.2
283.15485	1.0
493.34073	0.3
553.30347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44216	0.1
56.39769	0.1
59.01386	1.1
61.98834	100.0
66.53795	0.1
71.01383	0.5
72.01712	0.1
89.02457	0.5
90.02738	0.1
96.47086	0.1
188.23317	0.1
258.11230	0.1
283.09668	0.2
284.10004	0.4
285.10355	0.4
311.09238	0.6
311.12726	0.1
312.09698	1.0
313.09958	1.1
314.10123	0.6
326.11362	0.2
327.11847	0.8
328.01266	0.1
328.12158	0.6
329.12534	0.2
341.14023	0.1
342.14221	0.6
343.14514	0.8
344.14795	0.6
415.69910	0.1
445.87726	0.1
477.00000	0.1
539.58142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.206
Annotation	Physalin V
Peak:m/z	Relative Intensity
59.01392	6.8
71.01382	2.1
85.02982	2.5
89.02439	3.5
98.54434	1.6
99.90800	1.6
101.02428	2.1
122.65517	1.6
131.03499	2.5
149.04518	1.7
173.04509	2.3
173.98782	1.5
184.33910	1.5
198.78636	1.9
199.52716	1.7
474.12344	1.7
553.20630	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	553.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96865	2.2
55.58514	2.0
56.12075	1.9
57.03461	5.4
59.01390	19.5
61.98864	2.9
63.97806	2.2
67.59722	2.1
68.21069	2.0
71.01401	14.6
81.64462	2.1
88.81947	2.6
88.98839	9.5
89.02477	12.4
92.10738	4.5
93.03503	2.5
97.66311	2.4
101.02466	9.8
112.58721	2.5
113.02448	5.0
120.89019	2.2
121.02928	19.9
124.01700	2.8
126.77968	2.5
131.03534	4.0
149.04573	9.2
150.03227	3.2
157.06839	2.3
165.01979	11.3
165.05600	13.1
166.64828	2.3
167.36688	2.5
171.06641	13.7
179.03619	3.0
195.06644	5.0
221.56303	2.5
276.85858	2.4
287.09305	9.5
493.23306	3.1
553.20703	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	553.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.0
58.76588	0.4
59.01393	10.0
61.81216	0.4
71.01388	3.4
71.05031	0.6
72.18661	0.5
73.02963	1.1
83.05027	2.0
85.02956	2.4
89.02437	0.6
95.01358	0.7
95.05018	0.5
96.96009	1.0
97.06609	0.6
101.02454	1.1
108.45318	0.5
109.06541	0.5
111.08163	0.8
113.02459	4.1
123.08134	0.6
125.09649	0.7
135.08191	0.5
137.09769	0.6
151.11276	0.7
161.04573	0.7
165.12831	0.7
175.14949	0.7
193.15952	1.2
195.17569	0.5
205.15968	14.6
211.13412	0.5
223.17139	0.8
237.14896	2.3
249.14903	2.4
265.14407	2.5
266.14816	2.5
267.16031	38.7
269.19101	2.9
273.14966	2.7
287.16736	1.0
299.90671	0.5
313.18118	54.1
314.12039	0.6
315.15979	1.2
327.19714	2.7
331.19183	100.0
332.19467	1.1
345.20758	7.9
370.62601	0.6
373.20251	15.1
403.21140	0.9
433.22668	0.7
450.89832	0.5
493.24600	1.1
493.34195	1.1
507.35388	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	553.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45676	2.1
52.72002	2.0
52.95051	2.1
54.02639	1.9
54.82903	2.4
57.28470	2.0
58.13054	2.5
59.01381	6.2
61.62437	2.0
63.50327	2.4
71.01385	4.2
73.02956	13.6
83.34546	2.4
96.95996	33.1
101.02452	6.2
108.02207	10.2
112.64101	2.6
123.04508	14.8
161.02457	25.3
176.04811	6.0
191.03520	26.3
225.05615	2.8
241.05038	5.1
243.06909	2.7
244.07272	4.8
257.08240	9.6
268.86710	2.3
270.05334	3.2
271.09702	11.2
285.07813	14.1
295.06265	5.7
300.09995	5.2
310.08453	4.9
313.07184	3.5
325.10571	3.1
328.09589	34.0
331.11935	6.0
340.09576	4.2
343.11923	100.0
355.11682	10.3
361.13000	9.8
373.12906	12.5
389.10107	5.8
391.14209	20.2
534.41333	2.8
536.12988	3.3
566.93787	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76706	0.8
54.82980	1.0
55.01893	1.8
56.38706	1.1
58.00595	2.6
58.28168	1.0
59.01383	100.0
66.49057	0.9
71.01376	51.6
71.85088	0.9
72.99303	2.7
73.02930	1.5
80.11637	1.1
83.01392	1.8
85.02937	15.0
85.03297	0.8
87.00865	5.1
88.98793	1.9
89.02434	57.5
95.01373	2.6
99.00882	1.7
101.02425	26.5
113.02427	19.9
117.03458	7.0
119.03486	22.3
119.04948	2.0
121.02945	7.0
122.03722	5.4
131.03503	2.5
133.02953	2.5
134.03726	1.8
135.04469	2.0
136.01607	2.1
143.03496	3.9
145.02936	22.2
146.03751	7.8
147.04494	6.9
148.01645	5.2
149.02394	1.3
149.04475	1.4
150.03207	2.6
153.05536	4.3
161.02425	30.7
161.04465	2.5
162.03204	34.9
163.03969	12.1
164.04721	2.0
165.05533	5.9
166.23917	1.1
177.05547	13.3
179.05589	11.2
179.06921	1.3
180.04260	20.5
191.05573	17.4
195.06610	27.1
218.59045	1.1
243.45589	1.1
248.13437	1.3
299.09183	1.5
337.09589	1.2
357.11902	16.6
373.12839	4.5
391.13766	1.8
553.19244	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	553.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28057	0.9
55.01870	1.1
58.00591	2.4
58.17248	1.0
59.01387	100.0
60.99303	1.2
69.69168	0.8
71.01384	50.6
71.01779	1.8
72.99311	5.3
73.02966	1.6
76.07877	1.0
76.87809	1.0
78.95947	1.0
85.02947	11.3
87.00888	4.2
88.98830	4.4
89.02444	57.4
89.03002	2.0
92.10808	5.5
95.01387	4.2
101.02442	22.9
108.02186	1.0
110.04522	1.2
113.02457	18.0
117.03477	6.2
119.03509	23.7
119.05018	1.4
121.02917	7.3
122.03735	4.3
123.04572	1.4
131.03438	1.2
134.03658	1.2
135.04533	1.7
136.01762	1.5
143.03455	1.9
145.02972	25.1
146.03754	9.1
147.04544	8.7
148.01743	4.7
150.03154	3.8
151.00371	2.1
151.04070	1.7
153.05557	5.2
161.02461	25.5
161.04536	4.0
161.05829	1.1
162.03242	34.4
163.04063	9.7
165.05562	5.9
177.05579	9.7
179.05621	10.7
179.07060	1.6
180.04321	19.9
191.05656	13.0
192.04170	1.1
193.05234	1.1
195.06636	25.5
202.69200	1.3
207.06648	1.1
217.68050	1.1
297.51419	1.1
299.09259	2.3
306.40344	1.2
315.12143	1.2
337.09308	1.5
357.11978	14.3
373.12653	1.7
374.17700	1.1
391.13940	2.0
553.19342	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	553.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53800	0.1
53.72134	0.2
56.42894	0.1
59.74337	0.1
60.48216	0.1
65.00356	0.2
99.02650	0.2
99.92588	8.0
107.01402	0.7
114.93410	0.2
116.92865	100.0
117.92896	0.4
125.02444	0.2
139.38994	0.2
151.00385	2.2
151.04039	0.3
155.83807	0.2
180.25755	0.2
285.04050	1.0
291.91605	0.2
343.08347	0.3
435.09384	0.8
537.62885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.0
60.99319	19.4
79.36057	0.9
88.98808	100.0
92.10853	2.4
107.01431	1.2
108.02203	1.1
121.02961	1.3
135.04601	1.3
138.79402	1.0
139.82162	0.9
143.17947	0.9
151.00420	11.1
161.06079	1.1
163.00395	2.0
178.99881	6.1
180.07953	5.7
192.07913	1.1
194.05898	1.4
212.06964	1.1
225.13922	1.0
227.03548	2.4
243.02969	8.4
245.04630	1.4
254.02122	3.8
255.03011	24.2
271.02521	61.9
272.03165	1.3
300.02786	99.1
301.03592	36.0
328.13043	1.4
331.15555	6.6
343.15610	1.4
355.10785	1.1
361.16699	14.7
462.36075	1.1
463.08908	83.8
464.09232	1.7
541.34241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10052	0.1
51.67159	0.1
59.01384	0.9
66.12296	0.1
71.01376	0.3
71.09460	0.1
71.66419	0.1
72.99332	0.2
73.02968	0.1
79.95740	1.9
83.24753	0.1
89.02440	1.3
93.07593	0.1
96.96010	100.0
99.00871	0.3
101.02465	0.5
115.07618	0.2
129.05557	0.2
133.04893	0.1
149.04543	0.2
194.34821	0.1
205.07204	0.5
205.73094	0.1
253.10536	0.2
377.90430	0.2
380.77737	0.1
455.17691	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02374	0.4
53.07930	0.7
53.34709	0.5
57.03458	0.7
59.01388	0.8
63.58923	0.5
65.00353	0.5
69.03459	2.4
71.01398	3.2
73.02956	1.0
81.03478	3.7
83.01389	7.6
85.02930	1.0
88.98801	0.6
92.10158	1.2
93.03461	1.4
95.01408	3.1
96.96021	1.1
97.02932	7.0
99.00912	0.7
99.04477	0.8
100.35764	0.6
107.01384	2.4
107.05033	0.9
108.02238	0.7
109.02951	4.7
111.04541	4.2
113.02461	3.5
119.05034	12.6
121.02956	11.5
122.03735	0.8
123.00845	2.2
123.04518	3.5
125.02446	10.3
129.05898	0.7
129.07114	0.6
133.06630	0.8
135.04485	1.2
136.05310	1.2
137.02499	6.0
137.06018	0.7
139.04021	13.9
141.03459	1.3
141.07135	3.2
143.05054	3.2
145.02953	25.5
147.04518	1.5
149.02403	4.5
150.03268	5.1
151.00409	1.2
151.04030	2.6
152.96361	0.7
155.03500	1.4
155.08690	1.3
157.05409	0.8
157.06590	7.6
159.04556	1.3
161.06067	3.9
163.00394	1.1
164.04794	0.7
165.01949	4.0
165.05597	2.3
167.03517	16.6
167.08690	0.8
169.06618	2.7
171.08073	1.3
173.06087	0.7
177.01900	1.2
179.03577	1.1
180.05762	0.8
181.05095	0.7
183.04501	1.5
183.08150	0.9
184.05272	2.7
185.06099	10.1
193.01450	2.9
195.06621	0.7
195.08250	1.1
197.04547	8.5
197.06134	4.3
199.07692	7.1
201.05646	4.6
203.07191	2.8
205.01518	1.0
206.14514	0.7
207.08168	1.0
209.04495	2.2
209.06233	0.8
211.07629	1.1
213.05615	2.8
213.09187	2.7
223.07637	6.4
225.05594	7.0
226.06250	1.0
227.07286	5.0
229.05101	11.0
235.02570	0.7
235.07690	0.7
239.07222	1.5
241.05023	5.1
241.08733	2.2
243.06609	1.3
251.07156	3.6
253.05013	0.8
253.08897	0.9
255.06644	5.4
267.06631	0.9
269.08194	2.5
271.06146	22.4
283.06119	12.4
285.07690	3.0
295.06219	0.9
297.07614	2.2
301.07147	6.9
305.25357	0.7
310.05121	1.0
313.07242	100.0
314.07642	1.2
315.08765	0.7
325.07306	6.2
343.08279	67.5
343.11743	3.2
344.08444	0.8
355.08325	3.6
373.09369	20.6
391.14063	2.9
415.10480	7.5
427.10474	1.0
433.11475	15.6
445.11429	6.8
463.12555	2.6
535.14630	1.5
553.15649	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	552.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84702	0.8
57.03454	1.3
59.01383	27.9
59.01651	1.5
60.01736	1.1
61.98833	34.8
71.05038	1.1
78.95899	29.9
78.96317	1.5
83.05035	1.4
85.02943	1.0
104.92957	1.0
116.92845	1.6
124.04881	0.9
133.13403	1.0
152.99612	4.1
168.04324	5.3
224.06868	10.1
233.22931	1.1
242.08047	1.6
253.21854	2.1
277.21762	100.0
278.22156	1.4
457.71909	1.1
502.29480	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26546	0.3
59.01391	6.3
60.01733	0.4
61.98841	100.0
65.41759	0.3
87.33583	0.3
97.64684	0.3
99.80693	0.3
148.21361	0.3
185.08687	0.3
268.98941	0.4
403.19797	0.3
432.85522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40295	0.4
59.01384	5.8
60.01728	0.5
61.98833	100.0
69.65930	0.4
71.58578	0.4
72.72630	0.4
80.71323	0.4
87.57083	0.4
156.13089	0.5
181.12338	0.5
250.72581	0.5
452.94995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2643
Annotation	Canthiumine
Peak:m/z	Relative Intensity
51.17966	4.5
53.63208	4.5
57.03455	12.5
59.01382	71.8
61.98841	32.8
67.88459	5.2
69.03464	8.3
71.01382	12.3
78.95911	7.8
83.05020	11.4
85.02974	5.5
87.00932	5.6
87.04517	5.7
95.05046	5.7
96.96005	83.3
96.96982	5.2
97.02952	7.9
97.06573	9.8
99.04529	12.9
115.66707	4.3
116.92904	6.4
123.08172	6.5
125.06126	6.0
125.09717	8.2
127.80156	6.1
148.05008	5.3
152.38408	5.5
165.09137	6.4
167.10796	5.7
181.12347	20.3
194.50626	5.4
203.10912	7.1
205.16035	6.0
209.15460	5.5
213.44160	5.4
253.14445	6.6
255.19617	6.7
267.16064	31.3
283.15619	8.6
551.26099	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	551.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29140	0.4
57.03463	4.2
59.01392	8.9
59.57572	0.6
61.98856	2.7
63.05256	0.5
69.03466	2.6
71.01401	3.2
71.05030	1.5
72.67092	0.6
73.02952	0.5
81.03486	1.0
83.05038	10.5
85.02968	3.2
87.00904	1.4
88.98784	0.7
93.07178	0.6
95.05043	1.3
96.96018	2.4
97.02930	0.9
97.06596	5.3
101.02469	0.7
106.35412	0.7
107.05063	1.1
109.06590	3.3
111.04546	1.0
111.08105	1.0
113.06099	1.0
121.02911	0.6
121.06593	1.0
123.08196	1.2
125.06030	0.7
135.08156	1.2
137.09750	1.5
147.11736	0.7
149.09735	1.4
151.07719	2.1
151.11281	0.9
165.09189	0.8
165.12868	5.2
175.11264	0.7
177.12900	0.9
201.12936	0.6
203.14395	2.2
205.12405	0.7
205.15964	0.9
229.12389	0.7
247.13370	1.2
265.14456	100.0
267.16040	11.7
283.15616	2.3
288.90781	0.7
342.72992	0.6
343.15610	0.9
491.32480	1.3
548.44684	0.6
550.61432	0.8
551.31750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27649	0.7
57.03447	6.4
59.01383	12.7
61.74392	0.7
61.98839	3.3
69.03448	6.2
71.01382	8.0
71.05035	1.8
73.02955	3.8
78.97828	0.9
81.07067	0.9
82.70359	0.9
83.01459	0.8
83.05030	11.2
85.02968	4.3
87.00880	1.6
92.10128	1.6
95.05048	1.7
96.96019	4.0
97.06589	6.5
99.04555	0.9
101.02465	3.0
109.06606	7.3
109.65720	0.7
111.04582	1.0
111.08167	7.3
113.02428	1.9
121.02937	1.4
121.06596	1.3
123.04500	0.9
123.08113	2.8
135.08191	1.4
137.09737	1.7
147.08168	4.2
149.06030	1.3
151.07591	1.0
151.11290	3.6
161.09659	1.3
163.11285	20.8
165.12849	1.8
187.40126	0.8
191.14375	1.6
201.12810	3.2
203.14481	6.2
207.13945	0.9
219.13736	2.5
221.15471	5.0
247.13406	1.3
265.14478	100.0
267.15939	3.5
281.13864	1.1
336.58878	0.9
408.99832	1.0
491.22980	3.3
505.33896	4.8
551.31830	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
59.01385	100.0
60.63234	0.8
61.98835	20.8
67.60249	0.7
77.16286	0.7
80.67342	0.7
111.08161	4.0
127.06761	0.8
138.77129	0.9
163.01512	0.9
181.12321	4.9
193.12079	0.9
233.04945	0.9
237.18652	1.0
253.17911	0.8
364.70071	0.9
471.83948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00334	0.2
53.41035	0.3
55.37039	0.3
55.69481	0.3
57.03456	1.7
59.01383	5.8
62.34975	0.3
62.86739	0.3
71.01363	3.2
72.99351	0.4
83.01417	0.6
85.02976	0.6
89.02458	1.7
95.35078	0.3
101.02443	1.4
113.02454	0.6
117.03465	27.9
119.05026	20.2
119.05902	0.5
121.02985	0.5
132.05858	0.5
133.06583	4.4
134.07356	0.5
145.02960	100.0
146.03255	0.6
149.09734	6.2
153.09200	1.2
161.06070	10.9
163.04013	22.4
163.05402	0.7
167.10777	4.1
173.11858	1.2
177.05586	3.2
187.04048	0.4
190.90401	0.3
203.27562	0.3
205.05084	12.7
207.13904	0.4
232.66895	0.4
235.06087	2.0
265.07181	6.7
265.14435	2.0
293.68292	0.3
310.78253	0.5
311.09277	0.8
327.53366	0.3
341.14026	0.5
396.45160	0.4
401.28522	0.3
414.97400	0.4
454.65417	0.3
545.71698	0.4
551.25061	58.3
552.25488	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	551.2638
Annotation	Canthiumine
Peak:m/z	Relative Intensity
50.37226	5.4
51.58165	5.1
57.03459	30.1
58.00608	9.5
59.01382	100.0
61.98862	27.4
63.78817	5.2
67.67181	5.0
69.03474	13.7
71.01396	10.0
73.02937	7.8
75.10378	5.5
80.24833	5.7
83.05068	10.8
85.02976	8.4
88.90681	5.0
96.96011	49.6
97.02975	7.2
97.06591	7.8
101.02431	6.5
109.02946	6.5
109.06629	7.4
113.06161	6.6
121.02967	6.9
122.03777	5.8
123.08176	7.2
128.24800	5.7
130.79178	5.1
134.69724	6.0
136.35310	5.4
149.09808	7.3
186.08643	6.7
205.16034	25.8
219.13843	7.2
223.17047	13.0
251.16499	61.5
265.14484	14.1
267.15964	24.5
281.13959	9.2
283.15598	24.4
314.15280	7.7
329.17596	31.2
331.10800	6.3
497.37140	5.6
551.26007	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37729	0.5
57.03442	3.2
59.01109	0.7
59.01384	13.0
64.65002	0.5
65.84028	0.5
65.92106	0.5
71.01370	5.3
71.04972	0.6
73.02942	1.0
74.25584	0.5
83.01363	0.8
85.02933	3.2
89.02413	2.5
95.01369	0.6
96.95986	1.2
97.06567	0.7
99.00819	0.6
99.74905	0.5
101.02402	2.4
113.02406	2.1
117.03463	32.4
118.03828	0.6
119.05019	22.5
121.02925	0.8
122.94419	0.6
124.68906	0.5
129.06848	0.6
133.06601	5.1
134.07401	0.6
145.02963	100.0
149.09721	5.3
153.09183	0.7
161.06096	11.0
163.04010	26.8
167.10796	3.9
177.05598	4.0
183.10199	0.9
203.14330	0.7
205.05096	12.5
226.51907	0.5
235.06044	2.8
265.07220	7.0
265.14371	2.6
267.15942	2.6
276.95065	0.6
281.13602	0.7
283.15421	0.7
303.24719	0.6
311.22296	1.1
329.23404	4.1
489.30545	0.8
491.28415	3.2
530.08075	0.7
551.24744	56.0
552.25116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06237	0.9
54.11187	0.8
54.76440	0.9
55.40297	0.9
56.16650	0.9
58.92363	1.1
59.01385	36.3
65.92294	1.0
70.09891	0.9
70.29459	1.0
71.01379	15.9
72.99319	1.7
73.90272	1.0
89.02435	30.7
101.02458	1.4
113.02448	1.3
121.68678	1.1
131.03510	4.6
135.36626	1.1
145.02869	1.9
149.04556	8.5
224.04826	1.8
238.06244	1.7
239.10765	2.4
255.10252	9.3
266.05734	1.9
269.11978	2.1
270.12772	2.0
283.09790	42.1
294.08948	2.0
295.09772	2.4
296.10587	5.7
297.11523	2.0
298.12082	7.2
298.15082	1.4
310.12067	2.1
311.09320	100.0
325.10831	8.0
326.07791	2.4
326.11667	75.6
341.13983	81.4
513.64270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01902	3.1
57.03460	8.6
59.01385	93.7
62.63446	1.6
66.26083	2.0
70.91562	2.1
71.01378	30.6
72.99305	3.4
73.02964	9.5
83.01401	4.2
83.05064	2.3
85.02962	14.1
87.00905	8.2
89.02441	17.0
92.10892	3.6
96.96039	3.5
98.95602	2.3
101.02429	22.1
111.08241	1.7
113.02451	13.4
116.92856	8.8
118.83250	2.3
119.03527	2.1
125.02349	2.4
132.02147	1.9
139.07654	2.1
151.04120	2.8
161.04535	4.3
180.07851	2.1
181.08694	2.2
181.14449	1.7
201.11316	2.7
215.12944	20.9
227.12814	2.2
281.14059	14.4
283.06171	3.1
283.15643	3.3
296.06976	2.9
299.09314	3.2
311.09308	12.9
313.10849	8.9
323.09500	2.2
326.11554	2.6
329.10373	2.8
341.10522	6.2
341.14066	2.7
343.08337	3.2
344.12704	7.1
345.13611	2.3
356.12540	3.3
357.13574	3.5
359.15088	10.1
371.15088	4.4
371.23917	2.7
373.12967	2.3
373.22302	2.5
389.25519	10.2
465.72330	2.2
491.15842	8.5
501.42230	2.2
503.15466	15.1
506.17966	13.9
518.18024	4.7
521.20380	100.0
533.20313	80.7
551.30823	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88878	0.5
56.15076	0.5
57.39215	0.4
57.48213	0.5
58.00614	1.0
59.01384	36.7
60.25684	0.5
71.01379	17.1
72.62814	0.5
72.99315	1.2
76.78935	0.6
81.25339	0.6
85.02964	3.2
88.98797	0.9
89.02440	33.4
90.37408	0.6
92.10838	2.5
101.02504	1.7
106.47009	0.6
113.02488	3.6
122.03738	0.6
131.03508	3.1
137.02438	2.3
139.04070	0.6
145.02975	3.1
149.04568	8.0
157.80502	0.7
163.04047	0.7
171.14444	0.5
199.39026	0.7
206.05847	0.7
222.06767	0.7
224.04759	2.8
227.10837	1.0
238.06396	2.6
239.10831	3.1
240.16792	0.7
241.08797	3.1
255.10258	10.5
266.05859	2.8
267.10281	2.5
269.11923	5.1
270.12659	3.3
283.09793	48.0
293.07864	0.7
294.09006	3.6
295.09790	5.2
296.10593	3.1
297.11185	2.7
298.12259	5.7
299.02094	0.7
309.11435	2.3
310.08618	0.9
310.12155	3.7
311.09302	100.0
314.11484	0.7
325.10840	10.7
326.11639	72.4
327.11868	0.7
329.13953	4.7
341.13974	86.0
359.11478	0.9
374.13861	4.4
389.16177	6.7
484.22498	0.6
491.28592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97361	0.7
58.00604	5.9
59.01385	43.7
61.98838	2.3
63.98919	0.8
68.40078	0.9
71.01359	7.0
72.99325	5.1
73.02957	8.1
75.00873	29.3
81.26553	0.9
82.31189	0.8
85.02976	1.2
87.00884	1.1
89.02438	7.4
96.96011	6.4
97.02960	1.6
101.02457	6.1
111.04527	1.2
113.02470	1.6
119.03461	1.8
125.06088	1.1
131.08589	1.1
143.08672	3.9
151.07629	1.0
155.07123	4.0
159.08142	18.3
161.04579	3.9
161.09891	1.1
171.08203	15.7
175.07750	1.5
177.09238	1.2
185.06059	1.0
187.07643	2.4
189.09143	9.1
191.05586	4.6
191.10764	1.7
192.99559	1.5
201.09233	1.1
205.08702	6.3
207.10291	18.1
219.10359	1.9
225.11319	1.5
237.11304	1.5
251.09184	1.5
267.12402	11.7
329.12579	9.3
395.94965	1.0
405.35489	1.0
429.17786	4.3
435.52606	1.2
491.17798	100.0
492.18597	1.3
516.38452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.214
Annotation	Nudiposide
Peak:m/z	Relative Intensity
54.82896	1.4
54.91487	1.3
55.01883	2.2
55.25042	1.3
55.88419	1.2
57.03445	3.5
59.01377	87.3
60.14819	1.5
60.63208	1.3
61.98825	1.7
62.61612	1.4
69.03448	2.2
71.01375	29.3
73.02947	11.8
83.01402	6.9
85.02940	13.5
87.00842	3.9
89.02429	15.1
95.01347	2.6
99.00871	2.2
101.02414	21.2
104.94717	1.8
105.69701	1.6
113.02438	8.9
116.92855	3.8
119.03444	3.7
125.02392	2.0
131.03537	2.1
132.02147	1.8
134.32590	1.5
139.07629	2.2
149.04321	1.5
158.03824	1.7
197.01929	2.3
201.11299	1.7
215.12848	7.0
256.03659	2.3
269.10718	2.0
270.05295	2.0
281.04608	2.4
281.13928	3.9
283.05981	2.3
285.07678	3.1
296.06940	3.1
297.07584	2.7
299.09210	3.7
311.09323	17.3
312.09787	2.2
313.10727	7.9
326.11551	1.8
329.10144	2.8
329.13901	6.4
341.10294	9.8
341.13998	2.7
342.11105	2.5
344.12683	11.6
345.13544	3.8
356.12686	5.8
357.13544	3.6
359.14951	8.1
367.11728	1.9
371.14908	2.9
373.12946	3.2
373.22208	3.2
389.25403	8.7
488.14429	1.9
491.15808	9.4
503.15744	18.3
506.18204	10.8
506.55646	1.8
518.17877	7.2
521.20349	100.0
533.20288	75.2
551.17267	1.8
551.30872	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	549.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05539	1.2
53.57337	1.2
54.44534	1.2
55.01897	1.8
57.03462	7.0
59.01386	100.0
60.17657	1.2
61.98837	9.8
66.38100	1.5
69.13560	1.3
71.01392	9.2
73.02953	2.3
77.53229	1.3
80.69533	1.1
81.03478	1.3
83.01405	2.0
83.05024	3.1
85.02976	5.5
95.65488	1.3
96.96004	8.7
99.04521	1.9
101.02468	6.2
109.06605	1.3
113.02448	3.3
121.02977	1.8
123.04525	2.2
125.02365	1.9
139.07658	1.9
147.04486	1.8
190.30524	1.5
196.38342	1.4
235.55992	1.5
237.14795	2.4
265.14474	2.1
267.16122	2.2
281.13931	9.4
283.15417	1.4
318.53690	1.5
445.31622	2.7
463.32819	7.3
510.52234	1.4
535.72321	1.6
549.30670	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98819	0.8
80.93936	0.4
83.52769	0.4
103.94431	0.5
106.10886	0.4
205.79393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98857	2.4
67.89449	1.7
82.01891	1.6
115.39236	1.7
146.86424	2.1
183.74542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82733	0.6
56.97916	0.6
58.00365	0.7
58.00593	6.6
58.21126	0.6
59.01383	45.8
61.98837	1.7
66.31155	0.6
69.03448	1.0
71.01382	7.2
72.21194	0.7
72.99316	5.4
73.02941	8.9
75.00867	29.2
75.74772	0.7
85.02937	2.8
87.00882	1.2
89.02458	6.5
92.10752	0.9
96.96019	3.2
97.02976	1.0
101.02442	7.9
101.48328	0.7
111.04490	0.9
113.02435	0.9
113.32273	0.6
119.03524	1.4
131.08640	1.1
143.08694	4.3
155.07114	3.1
159.08153	20.8
161.04549	3.9
161.09740	1.2
171.08162	14.0
172.23235	0.7
175.07605	1.7
177.09212	3.0
187.07587	4.8
189.09221	8.4
191.10890	1.0
201.09230	2.8
205.08684	7.0
207.10286	19.4
219.10281	3.5
219.12292	1.0
225.11237	1.7
237.11250	1.2
267.12308	8.4
327.10870	1.5
329.12393	11.1
330.81180	0.8
429.17719	4.8
491.17780	100.0
492.18039	1.7
501.37640	0.9
530.36945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.01425	0.6
58.62654	0.6
59.01387	100.0
61.98841	4.4
63.84246	0.5
68.99604	0.7
69.03498	1.0
70.44717	0.7
71.01386	0.9
75.00874	0.7
83.05048	1.3
85.02966	1.2
85.06611	0.6
118.94996	0.6
120.51247	0.7
123.08095	0.6
144.86180	0.8
165.12865	0.9
184.19962	0.7
193.12344	0.8
209.15553	1.3
235.17024	1.2
237.14824	0.8
253.14520	1.1
253.18083	6.1
277.21545	1.0
304.92493	0.7
349.24899	0.8
489.35858	3.9
547.98297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78839	0.6
55.01882	7.7
56.46830	0.6
57.03456	6.2
57.20289	0.6
58.00601	1.1
58.13724	0.6
58.94532	0.7
59.01382	100.0
59.54715	0.6
60.66247	0.6
61.98842	4.4
63.91868	0.8
71.01381	42.1
72.63355	0.7
72.99316	1.4
73.02942	18.1
75.00897	1.0
81.26401	0.6
83.01380	10.1
83.05017	1.0
85.02948	27.1
86.00117	0.7
87.00891	1.5
87.13503	0.7
89.02423	9.2
95.01399	3.2
96.96012	2.8
97.02952	3.0
99.00890	8.1
101.02438	48.6
109.02991	1.2
111.00865	1.1
113.02460	18.6
115.04065	0.9
116.92882	2.6
125.02479	3.0
131.03497	24.3
132.48907	0.7
135.08231	0.8
143.03479	1.5
152.93970	0.7
159.03004	3.4
161.02501	0.9
161.04576	17.0
263.91116	0.8
265.14462	4.1
265.89706	0.8
267.15994	1.2
283.15479	0.9
305.60190	0.8
312.13803	1.5
327.16034	4.7
357.22867	95.3
358.23273	1.1
372.71429	0.8
392.32822	0.8
401.21567	0.9
403.95844	0.8
489.27112	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
57.03456	3.1
59.01385	100.0
61.98828	6.4
71.01377	8.3
73.02956	3.7
81.03458	0.7
83.01405	1.6
85.02936	5.6
89.02464	1.1
95.01403	0.7
96.96000	4.1
97.02984	1.5
99.00919	0.9
101.02441	5.6
113.02431	3.6
125.02457	1.7
125.06120	1.1
137.06052	0.9
159.08092	0.8
199.13351	1.8
265.14450	1.7
292.96970	0.9
445.31976	8.3
463.32809	4.6
504.89407	0.9
505.34006	1.6
549.30811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05539	1.2
53.57337	1.2
54.44534	1.2
55.01897	1.8
57.03462	7.0
59.01386	100.0
60.17657	1.2
61.98837	9.8
66.38100	1.5
69.13560	1.3
71.01392	9.2
73.02953	2.3
77.53229	1.3
80.69533	1.1
81.03478	1.3
83.01405	2.0
83.05024	3.1
85.02976	5.5
95.65488	1.3
96.96004	8.7
99.04521	1.9
101.02468	6.2
109.06605	1.3
113.02448	3.3
121.02977	1.8
123.04525	2.2
125.02365	1.9
139.07658	1.9
147.04486	1.8
190.30524	1.5
196.38342	1.4
235.55992	1.5
237.14795	2.4
265.14474	2.1
267.16122	2.2
281.13931	9.4
283.15417	1.4
318.53690	1.5
445.31622	2.7
463.32819	7.3
510.52234	1.4
535.72321	1.6
549.30670	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02021	0.5
54.82964	0.5
55.01897	3.6
57.03463	4.3
58.00618	2.5
59.01385	95.0
61.98843	0.6
71.01382	65.6
72.99331	3.4
73.02950	11.4
75.00897	0.6
83.01400	5.8
85.02955	23.2
85.03445	0.8
87.00872	4.3
87.47275	0.6
88.72044	0.6
88.98849	1.0
89.02444	73.3
89.70741	0.6
95.01405	4.1
96.96009	1.5
97.02979	3.1
99.00880	8.9
101.02441	43.9
113.02450	26.9
119.03503	16.0
119.25930	0.5
125.02448	5.0
131.03503	24.7
133.10246	2.5
143.03503	7.2
149.04573	11.2
157.72508	0.7
159.03018	2.5
161.02487	0.9
161.04567	22.7
177.09227	8.8
179.05632	5.9
191.05620	10.4
192.08690	0.7
195.10245	6.0
236.97845	0.7
238.40523	0.7
321.04480	2.6
343.70691	0.8
357.15622	100.0
358.15646	1.0
489.19904	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94423	1.5
59.01392	100.0
61.98847	9.2
62.53630	1.6
68.78009	1.8
102.13626	1.9
118.65621	1.9
277.21759	3.7
489.36093	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	549.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61022	0.7
57.03442	1.1
59.01387	5.2
67.18570	0.7
71.01375	6.1
72.99325	1.0
73.02948	1.4
75.00876	0.9
87.00869	1.7
88.98858	1.0
89.02440	0.9
96.96037	1.9
99.00884	4.2
101.02434	3.2
108.01940	0.7
108.50716	0.8
111.00900	2.9
113.02399	0.8
113.92572	0.9
122.06161	5.6
124.07735	1.1
125.50204	0.9
144.04619	1.2
146.06116	4.6
146.79485	0.8
150.05635	1.7
160.03966	3.0
161.04765	1.1
162.05574	1.4
172.04059	5.4
173.04860	1.0
174.05573	3.6
188.07114	1.1
190.05104	1.6
199.09784	1.0
202.05132	3.1
204.06683	6.6
212.07397	0.9
216.06796	1.0
218.04488	0.9
223.08984	0.8
227.11932	1.1
232.06151	1.2
238.11037	1.4
240.09084	0.9
241.09805	1.0
248.05629	1.1
253.09831	1.3
253.13480	7.2
254.11748	1.2
255.11363	1.7
262.07040	1.0
266.07065	0.8
267.07761	4.1
267.11353	1.3
268.08621	1.6
269.12921	1.1
279.07950	1.4
279.11252	1.6
280.08389	1.4
281.09341	4.5
281.13007	0.9
282.09909	1.3
283.10831	1.8
295.10968	6.0
297.09204	1.1
297.12485	22.5
309.12469	4.4
313.11743	1.3
323.10330	3.8
325.11978	14.4
333.12497	1.0
335.10458	1.0
337.11926	1.6
339.13272	5.9
341.11581	1.6
353.11490	7.7
355.13068	14.3
357.15289	3.4
369.10846	3.6
377.11230	1.9
387.15143	1.1
397.10428	1.7
399.11951	4.9
401.13492	3.1
415.15411	1.0
429.13211	3.4
431.14703	8.2
521.17688	0.9
531.16125	1.1
549.17328	100.0
550.17676	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	549.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99699	0.2
57.03452	0.4
57.59698	0.2
59.01392	2.1
60.99305	1.1
65.03962	0.2
67.01893	4.3
68.99798	0.3
69.03466	1.4
71.01380	2.1
81.03480	1.3
83.05038	0.6
85.02953	5.2
87.00876	6.9
89.02477	0.3
92.10821	0.5
93.03455	26.9
94.79214	0.2
96.96000	7.2
99.00880	0.3
99.04520	0.5
101.02465	0.4
103.95709	0.3
107.37935	0.2
109.02965	1.2
111.04529	4.8
113.02467	0.4
119.05026	8.4
127.04020	1.4
129.01955	1.3
145.02943	1.2
149.06102	0.4
155.03551	1.0
163.04024	8.1
171.02948	0.2
173.04561	7.2
191.05630	100.0
192.06001	0.4
197.30106	0.3
329.56219	0.3
337.09357	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	547.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00723	0.3
55.01885	0.4
57.98736	0.3
59.01390	100.0
61.98856	0.3
71.01387	0.3
71.51711	0.3
83.05044	2.0
121.06578	0.8
123.08167	1.8
161.09721	0.6
173.26401	0.4
203.18803	0.3
219.17567	0.6
230.85486	0.4
235.32463	0.4
253.18062	0.4
266.68161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.05814	0.4
59.01390	16.4
61.98838	5.7
69.03455	0.5
70.29250	0.3
70.92506	0.3
71.01395	0.6
71.05025	0.4
73.02979	0.6
77.03989	2.1
81.03500	0.4
82.95413	0.4
83.05050	1.9
85.02965	5.8
93.03448	0.4
94.86241	0.3
96.96017	2.0
99.04530	0.4
99.25674	0.3
109.06599	0.4
116.92868	0.4
119.05151	0.4
121.02955	100.0
123.08182	0.5
125.06116	0.5
135.08170	0.5
137.02510	0.5
147.04524	0.5
147.72180	0.4
161.09705	0.4
165.01935	30.3
167.10800	0.5
167.88611	0.3
180.05754	0.4
181.06557	2.4
183.82133	0.4
189.12808	0.4
197.06143	3.4
207.04697	0.5
217.28694	0.4
225.05582	1.8
257.09814	0.5
281.14105	0.6
313.07230	1.3
417.09982	1.6
481.19836	0.4
489.35327	0.4
505.11707	0.8
549.10522	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	549.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59604	0.4
50.86537	0.4
53.57393	0.5
55.66590	0.5
58.00605	3.1
59.01391	2.6
69.86704	0.5
71.01366	0.8
71.05035	1.1
72.99316	33.6
75.00871	0.6
91.05534	18.3
96.96014	8.7
103.00341	1.0
104.66528	0.5
115.05594	4.3
117.03464	8.4
119.05024	1.0
131.05011	7.4
133.06590	6.1
134.03758	3.1
135.04510	1.2
143.07135	4.0
147.04486	2.6
149.06090	72.4
150.06413	1.1
163.04010	19.0
171.11530	0.6
177.04045	0.9
177.05576	20.4
178.02785	1.2
191.05647	4.9
193.05046	5.8
195.06560	1.0
239.05638	100.0
240.05858	0.8
241.06168	0.8
309.09628	1.1
340.61707	0.6
350.82147	0.6
451.76450	0.6
463.87723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89022	0.7
57.03445	1.6
59.01384	100.0
69.03466	2.1
70.98166	1.0
71.01382	30.5
71.01771	1.1
72.99350	1.1
73.02962	4.4
80.53520	0.9
83.01389	1.8
85.02973	4.3
89.02442	45.0
96.96092	1.2
97.02961	4.4
99.00897	1.0
101.02426	9.1
113.02451	4.7
113.55891	1.0
125.02442	16.4
131.03510	5.7
135.04536	5.8
149.04556	9.8
161.04558	1.4
163.04016	56.0
163.05388	2.1
165.60191	1.0
178.06377	50.6
193.07076	1.7
193.08727	30.4
233.06689	1.9
293.08804	18.8
296.18430	1.2
354.28009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64166	3.4
55.01907	5.2
55.57888	3.5
57.03458	8.0
58.93625	3.6
59.01388	100.0
59.70954	4.5
61.98837	53.0
69.03474	7.6
71.01394	27.4
73.02956	7.6
74.79485	4.2
81.77998	4.2
83.05039	6.0
85.02970	9.6
89.02462	7.5
90.77614	4.5
90.83942	4.1
92.10458	33.4
96.96032	9.7
99.04539	7.0
101.02458	28.5
111.04497	5.4
113.02467	4.7
131.03531	8.2
135.17259	5.1
147.24101	4.2
158.26567	4.5
165.12900	4.9
166.88408	4.6
176.20045	4.5
182.16887	4.7
189.13054	4.6
195.13698	4.6
238.43382	4.6
286.72998	4.8
355.21478	10.0
367.25021	6.3
385.25754	6.6
455.89594	5.4
480.34976	4.8
547.23328	22.8
547.31403	37.9
552.03339	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	547.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	7.8
57.03464	4.3
59.01396	38.8
61.98836	1.2
66.59246	0.5
69.03463	0.7
71.01391	31.7
71.41089	0.6
72.99324	1.2
73.02954	12.7
81.79889	0.5
83.01398	10.5
85.02962	20.9
85.03456	0.8
86.00126	1.9
87.00878	2.6
87.31159	0.5
89.02458	6.4
95.01401	2.5
96.96043	0.8
97.02934	2.2
99.00887	8.5
101.02449	29.7
111.00893	2.8
113.02459	9.1
125.02448	1.0
131.03503	3.7
141.12048	0.6
143.03497	2.9
153.09149	0.6
159.02945	1.2
161.04555	1.1
205.44759	0.5
371.24362	4.8
415.23352	2.5
547.27667	100.0
548.27869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06451	0.3
55.01874	1.6
57.03437	0.6
58.00594	1.7
58.22468	0.3
58.65285	0.3
59.01377	100.0
67.46728	0.3
69.03450	2.6
71.01371	38.2
72.99297	0.8
73.02928	3.8
81.03474	1.4
83.00961	0.3
83.01364	2.6
85.02940	5.3
87.00922	0.4
89.02431	42.6
95.01390	0.5
95.96552	0.3
97.02927	4.5
99.00863	1.6
101.02430	8.7
113.02429	6.1
119.03454	1.3
125.02429	16.5
131.03473	6.9
135.04465	2.8
140.53911	0.3
143.03511	3.1
149.04544	10.3
161.04533	1.6
163.03990	27.8
178.04759	0.8
178.06332	21.2
193.08688	11.6
213.37114	0.3
215.55669	0.4
233.06561	0.8
293.05444	0.6
293.08755	13.9
351.07550	0.4
508.91162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84867	0.8
55.87588	0.9
57.03452	1.4
59.01390	19.1
63.19621	0.8
71.01385	28.8
72.99316	2.0
73.02963	1.9
83.01404	5.4
84.21813	0.9
85.02960	4.0
87.00874	50.4
97.04700	1.0
101.02429	1.6
111.00895	10.8
112.98824	1.0
113.02378	1.6
115.00368	88.2
127.00398	1.9
139.00378	20.2
157.01434	20.1
163.27139	0.9
175.02480	100.0
265.06100	1.2
280.08502	3.5
295.10928	12.6
297.12442	1.2
307.95163	1.1
325.12173	1.5
327.13602	6.1
333.35971	0.9
339.09912	4.3
342.45926	1.0
355.13181	1.1
371.12567	9.7
397.10818	1.2
429.13098	5.7
435.12466	1.1
459.82483	1.0
467.14429	7.5
485.15643	11.4
547.16132	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1676
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
50.86590	1.2
58.70824	1.2
59.01394	14.0
71.01383	9.0
73.02970	6.3
75.00873	1.7
82.72061	1.3
83.01404	1.7
85.02962	8.6
87.00893	6.1
89.02444	2.8
95.54140	1.2
96.96011	23.3
99.00897	1.8
101.02448	7.5
107.78159	1.2
113.99596	6.0
115.00373	15.5
116.92856	1.8
134.81711	1.3
147.47343	1.3
166.02698	5.8
174.01689	20.3
174.20831	1.3
175.02513	10.5
181.05084	5.4
191.05602	7.0
267.08777	2.6
295.08221	2.0
305.10229	1.6
325.09500	2.3
487.14621	6.5
547.16785	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	547.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.7
59.01383	98.3
59.01649	4.2
59.88581	2.8
71.01386	32.6
72.99319	21.0
73.02962	7.3
83.01413	17.2
85.02970	18.8
87.00883	4.7
89.02454	19.0
96.96006	37.7
98.95595	4.2
99.00916	22.3
101.02512	10.7
111.04520	5.9
113.02473	6.7
115.07637	6.9
116.92877	19.3
119.03497	3.6
127.00372	17.3
135.04471	4.2
137.02522	4.3
141.01712	27.3
142.97815	2.9
143.07141	4.4
147.04430	3.5
151.00389	14.5
154.05215	3.2
163.04012	29.9
165.76472	3.3
166.02730	30.0
178.06339	30.8
181.05057	18.8
191.03546	6.1
192.07983	3.3
193.08754	7.5
193.74115	3.0
205.07173	7.9
217.05241	5.1
219.03024	6.0
237.04106	5.4
276.06396	4.6
290.84937	3.4
291.08701	20.1
303.08749	6.7
321.09741	31.9
336.07150	4.9
501.16281	4.4
547.16803	100.0
565.52148	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	547.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06210	0.2
52.73271	0.2
54.82895	0.2
55.13945	0.2
56.10964	0.2
59.01385	3.7
67.57576	0.2
71.01387	1.2
71.04616	0.2
79.95738	1.8
89.02447	1.1
96.96018	100.0
99.04529	0.4
101.02455	0.9
102.39986	0.2
119.03602	0.2
131.03499	0.3
145.25627	0.2
149.04520	0.4
191.05679	0.3
207.14000	0.3
209.11859	0.9
269.13904	1.6
281.70566	0.2
289.01852	0.2
335.46448	0.2
375.72504	0.2
427.12894	0.4
449.20337	2.7
487.14835	0.3
509.20105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84792	0.4
54.97876	0.4
55.01884	3.1
57.03454	2.4
58.00602	1.1
59.01384	57.3
61.98828	0.5
64.01738	0.4
69.03452	0.5
71.01382	26.5
72.99319	2.9
73.02940	6.3
73.71017	0.4
81.03466	0.4
83.01392	4.3
85.02950	12.2
87.00880	1.0
89.02443	20.2
95.01387	1.1
96.96006	2.9
99.00884	5.5
101.02437	19.5
107.13327	0.5
113.02459	10.4
119.03516	4.9
125.02444	1.1
126.15726	0.5
128.29570	0.5
129.02022	0.5
131.03505	11.1
143.03517	2.9
149.04524	0.6
160.66562	0.5
162.60260	0.5
191.05621	3.1
218.12987	0.6
251.16621	0.7
369.22729	0.6
413.21765	2.0
545.26141	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	545.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82518	0.5
55.01886	5.8
56.15465	0.5
57.03453	4.4
58.00582	0.8
59.01384	40.7
65.38898	0.6
69.03439	0.9
70.37100	0.5
71.01379	33.8
72.99318	2.3
73.02940	10.9
75.00870	1.1
80.60542	0.5
81.03431	0.8
83.01388	8.9
85.02958	18.9
86.00103	0.8
87.00874	1.2
89.02441	9.1
95.01400	3.4
96.96031	0.6
97.02942	1.2
99.00874	6.6
101.02439	29.2
113.02468	11.8
119.03455	2.1
125.02440	1.2
129.01913	0.7
131.03493	10.3
143.03471	1.2
159.03078	1.1
161.04581	2.8
164.80887	0.7
173.11821	2.3
191.05522	2.2
213.11368	0.9
220.76015	0.6
244.18253	0.6
251.16553	0.8
369.22772	3.1
413.21838	0.8
545.26080	100.0
546.26233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57070	0.7
53.91305	0.6
54.83051	0.6
58.00597	1.0
58.67210	0.6
59.01387	4.5
61.93905	0.7
63.42317	0.6
72.99301	16.9
85.02956	7.6
87.00877	1.4
91.05527	10.2
92.18065	0.7
93.03435	1.5
96.96025	3.5
111.04507	0.9
115.05527	1.2
117.03446	3.3
127.04037	1.1
131.05048	2.6
133.06610	3.7
135.04549	3.0
147.04500	0.9
149.02478	0.9
149.06094	32.4
151.85402	0.9
152.01175	0.8
152.47452	0.8
159.04509	0.7
161.02452	1.2
163.03984	10.4
164.04758	1.0
177.05623	8.8
179.03526	3.4
191.05627	100.0
192.05917	1.0
193.01501	1.2
193.05028	1.0
223.06067	3.2
227.64574	0.8
239.05637	50.2
240.06001	1.3
353.08951	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	547.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84867	0.8
55.87588	0.9
57.03452	1.4
59.01390	19.1
63.19621	0.8
71.01385	28.8
72.99316	2.0
73.02963	1.9
83.01404	5.4
84.21813	0.9
85.02960	4.0
87.00874	50.4
97.04700	1.0
101.02429	1.6
111.00895	10.8
112.98824	1.0
113.02378	1.6
115.00368	88.2
127.00398	1.9
139.00378	20.2
157.01434	20.1
163.27139	0.9
175.02480	100.0
265.06100	1.2
280.08502	3.5
295.10928	12.6
297.12442	1.2
307.95163	1.1
325.12173	1.5
327.13602	6.1
333.35971	0.9
339.09912	4.3
342.45926	1.0
355.13181	1.1
371.12567	9.7
397.10818	1.2
429.13098	5.7
435.12466	1.1
459.82483	1.0
467.14429	7.5
485.15643	11.4
547.16132	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	543.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
65.25327	0.2
65.57162	0.2
71.01373	0.4
78.95895	1.8
79.95731	1.3
89.02441	0.5
92.78793	0.2
96.96006	100.0
98.14687	0.2
125.02441	0.4
144.22348	0.2
150.03226	1.1
151.72054	0.2
153.18221	0.2
165.05559	1.4
213.07639	0.3
220.77634	0.2
239.02229	0.2
311.57053	0.2
445.13501	1.2
546.86578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82872	0.5
57.03446	1.1
59.01386	100.0
61.98851	2.3
62.89836	0.5
71.01402	0.8
73.02913	0.5
85.02944	0.9
104.51628	0.5
141.01709	41.4
152.40697	0.6
182.22620	0.6
223.10335	0.6
423.22479	3.8
483.24356	1.1
543.31885	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	543.3314
Annotation	Luvungin F
Peak:m/z	Relative Intensity
51.19048	2.8
53.42033	2.8
57.03473	4.2
59.01384	38.2
60.64268	2.9
61.98830	30.7
62.89728	2.9
71.01418	4.9
73.31675	3.0
81.75374	3.5
88.98837	4.3
105.31199	3.3
123.15603	3.4
275.12592	5.2
543.25342	4.9
543.33221	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	543.3313
Annotation	Luvungin F
Peak:m/z	Relative Intensity
54.83041	5.2
55.87793	3.4
57.03454	6.5
59.01386	100.0
59.01649	5.3
61.98834	35.1
71.01411	16.5
76.68428	3.5
83.05039	6.2
85.02953	7.0
88.98798	6.3
99.04525	6.0
100.51015	4.1
125.02367	5.3
137.02454	4.1
177.32002	4.3
211.17752	3.8
213.11353	5.5
221.11340	4.3
237.35844	4.3
246.04335	5.0
349.50989	4.6
441.69156	4.9
483.29205	5.0
487.72107	4.4
543.32922	66.6
547.90002	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	545.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16019	0.2
59.01385	0.8
71.01378	0.4
72.99295	0.2
79.95732	1.4
85.02972	0.2
89.02439	0.3
96.96008	100.0
98.95578	0.3
101.06117	0.2
108.02168	0.9
109.02955	1.0
122.02720	0.2
152.01178	1.7
153.01945	0.3
191.05658	1.3
279.10818	0.3
447.11545	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	541.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	6.8
55.10527	4.1
57.03453	20.2
59.01385	100.0
61.98846	12.5
62.83622	4.2
69.03466	8.2
71.05020	6.5
71.89307	4.4
83.05038	13.0
97.06584	12.5
106.57345	6.0
111.08166	27.2
121.02974	8.1
123.08200	12.8
125.06143	5.6
125.09719	8.5
126.90622	4.7
163.11290	32.1
163.17247	5.9
165.12871	5.5
181.12344	35.6
233.15448	25.5
251.16502	31.3
261.82922	5.5
267.16162	5.6
284.24994	5.6
311.27969	5.7
541.32581	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	541.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	33.6
59.01388	10.0
61.98837	0.5
63.10455	0.4
71.01395	1.6
71.05033	0.5
73.02944	0.6
76.34473	0.3
83.05019	0.8
85.02987	0.6
85.06602	3.0
87.04510	5.3
89.02464	0.4
95.05023	1.6
97.06590	20.2
99.04593	0.5
101.02461	0.6
101.74529	0.4
109.06610	0.8
111.08199	0.4
125.09717	0.6
137.02505	0.5
139.11314	0.7
141.12863	10.8
167.10796	17.9
168.11145	0.4
179.10774	7.4
185.11853	24.1
193.15871	0.7
196.08740	0.4
197.11891	6.2
211.17043	2.7
237.14993	7.6
255.16054	100.0
256.16272	0.6
285.04068	2.5
332.95178	0.4
488.14804	0.4
492.67520	0.4
513.43243	0.4
541.30939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01383	2.6
60.01716	0.2
61.98835	100.0
71.01390	1.0
73.02935	0.3
75.14934	0.2
82.21220	0.2
85.02969	0.8
89.02413	0.3
90.08775	0.2
92.10184	0.2
101.02449	0.4
113.02486	0.7
117.05933	0.2
157.78549	0.2
161.04524	0.2
164.88461	0.2
167.14371	0.2
182.21887	0.2
194.33018	0.2
195.21716	0.2
246.96533	0.2
256.19116	0.2
316.71408	0.2
320.27905	0.2
481.32727	0.2
482.33282	1.3
542.25983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3021
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01899	0.7
57.03461	2.7
59.01386	100.0
61.20746	0.5
61.98844	4.8
69.03471	0.7
71.01384	9.5
73.02935	4.4
75.00876	0.6
83.01376	1.0
83.05022	6.1
85.02960	5.9
87.00896	1.1
88.98802	0.6
95.05032	0.7
96.96021	0.6
97.02977	0.9
97.06639	0.7
99.00868	1.1
99.04524	1.1
101.02432	6.7
108.14736	0.6
110.80737	0.5
113.02467	3.3
115.04000	0.7
121.02979	0.6
123.08167	0.9
135.08141	0.8
147.14972	0.5
161.04538	5.8
193.12317	0.6
205.58995	0.5
243.06364	0.5
289.21692	3.5
289.76163	0.6
301.21735	0.5
391.24924	3.8
391.93951	0.6
463.27179	2.5
480.05258	0.7
481.28162	16.0
541.30432	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	541.3025
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
53.87706	0.5
55.01883	0.7
57.03447	1.1
59.01384	100.0
59.88400	0.5
61.67353	0.5
61.98835	9.8
64.21445	0.5
69.03463	1.1
71.01385	3.2
73.02951	1.2
81.03467	0.7
83.05025	3.1
85.02961	3.3
89.02435	0.9
92.10115	1.5
95.05032	1.0
97.02959	0.8
97.06595	0.9
99.04508	5.6
100.08376	0.6
101.02428	1.0
109.06606	0.9
113.02459	2.9
119.03514	0.8
119.66779	0.5
121.02958	1.1
121.06633	0.7
123.08169	3.0
125.02450	0.9
125.06089	1.1
137.67194	0.6
149.02470	1.1
150.03174	0.6
151.11293	13.2
153.09088	0.6
161.04555	0.9
165.09027	0.8
167.10739	2.9
181.08376	0.6
189.13034	0.6
237.14911	0.7
271.34647	0.6
287.18515	0.7
319.22821	68.7
320.23026	1.0
343.22806	3.6
361.23895	1.4
481.28278	1.3
541.30475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14299	4.4
55.42826	4.3
57.03458	8.9
59.01385	100.0
61.98849	22.7
64.10921	4.5
66.27208	4.5
70.84007	5.2
71.01403	12.0
73.02960	5.0
83.01403	5.2
83.05064	5.0
85.02965	10.4
101.02476	13.0
113.02448	5.6
117.86475	5.4
151.04039	7.3
151.74200	5.1
203.14386	18.6
213.24380	5.8
227.45442	5.5
247.13423	30.2
343.15637	32.0
446.12167	6.3
480.32715	13.0
481.32901	32.4
541.30872	6.9
556.02588	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	541.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86631	0.8
55.79845	1.1
56.64613	1.0
57.03455	22.7
58.03802	0.9
59.01383	19.6
61.98833	9.3
65.00338	1.4
65.38625	1.0
69.03504	1.1
69.31541	1.1
80.82455	0.9
83.05050	1.6
88.98808	1.5
92.10693	1.0
93.03450	1.1
97.06604	11.0
104.92072	0.9
107.01389	2.3
116.92859	1.9
121.06628	1.6
125.09721	7.7
137.09752	1.8
151.00412	8.9
153.04077	1.1
189.16519	5.9
191.14485	4.1
207.17574	100.0
208.17867	1.4
219.24557	1.2
223.17050	1.5
251.16527	26.3
254.07668	1.1
267.15948	2.5
534.13525	1.4
541.30133	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	541.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89363	0.1
56.18454	0.1
56.56921	0.1
59.01379	0.7
60.99300	0.1
63.37057	0.1
64.34751	0.1
71.01393	0.2
73.02956	0.1
78.95904	2.2
79.95744	1.7
88.98775	0.2
89.02441	0.5
89.09006	0.1
96.58232	0.1
96.96011	100.0
96.96886	3.1
101.02433	0.2
109.02917	0.1
119.05051	0.3
121.65247	0.1
124.82775	0.1
125.02471	0.3
127.32771	0.1
134.03752	0.2
137.02415	0.2
143.07111	0.1
148.56509	0.1
149.06075	0.5
151.04016	0.1
163.04033	0.7
179.07190	0.2
181.05130	0.2
191.05544	0.2
213.05200	0.1
239.05643	0.2
241.05074	0.2
301.07208	0.7
316.09525	0.2
321.04352	0.2
331.11874	0.6
343.10382	0.3
416.70346	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.5
57.03472	5.9
59.01385	100.0
60.06916	0.6
61.98839	3.2
63.95068	0.7
66.03706	0.6
71.01379	35.9
71.04163	0.7
71.05042	1.3
71.89025	1.0
72.86872	0.7
72.99310	1.4
73.02949	10.8
77.69915	0.6
80.18288	0.7
83.01398	6.8
85.02949	15.2
85.86416	0.7
87.00890	1.0
89.02438	16.7
92.10149	1.3
95.01399	3.2
96.96003	1.2
99.00888	5.5
101.02437	28.2
110.13395	0.7
113.02454	15.9
119.03511	5.9
123.89153	0.7
125.98756	0.9
129.01974	1.0
143.03477	1.5
143.10733	0.9
157.12320	1.9
159.03035	1.2
161.04582	11.1
162.22784	0.8
179.05659	1.1
185.11786	0.9
209.15553	1.0
247.49734	0.8
255.16035	1.7
259.62973	0.9
267.16013	4.7
268.16409	3.5
269.14401	1.1
269.17493	10.1
317.27008	10.6
371.78409	0.8
374.99432	0.9
479.32306	81.4
480.32715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
60.13316	0.1
64.34813	0.2
71.01388	1.0
76.58167	0.1
78.95908	1.9
79.16474	0.1
79.95739	2.0
85.02980	0.3
86.59953	0.1
88.98803	0.2
89.02454	0.2
92.03251	0.1
93.03487	0.2
96.96018	100.0
96.96895	3.2
97.33498	0.1
101.02438	0.3
105.65430	0.1
111.04508	0.2
125.02505	0.2
161.02390	0.2
165.05511	0.2
173.04561	0.2
191.05679	1.1
301.07431	0.2
331.47128	0.2
334.02554	0.2
349.18512	0.3
433.68561	0.2
481.22855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.6
56.41323	0.7
56.94331	0.7
57.03471	5.1
58.00603	1.0
59.01384	61.3
61.98835	1.9
69.03466	1.8
71.01377	13.4
71.05029	1.8
72.99323	1.3
73.02943	15.0
73.03294	0.8
75.00889	4.2
76.51604	0.8
81.03454	1.0
83.01408	5.2
83.05044	1.9
85.02961	10.5
87.00904	1.6
89.02459	4.0
89.51985	0.7
93.03510	0.7
95.01362	1.1
96.96038	0.9
97.02950	1.8
97.06584	2.9
98.03717	0.8
99.04536	3.0
101.02441	14.0
109.06602	1.6
113.02426	6.9
119.69233	0.9
121.02963	0.9
121.06580	0.9
123.08186	1.1
125.02527	1.1
125.06089	1.0
127.07653	1.1
136.45169	0.7
137.09755	0.8
150.97009	0.8
151.11340	1.0
158.56125	0.9
159.02982	0.8
161.04573	1.0
165.96330	0.8
167.10783	5.4
169.12296	1.0
185.11850	1.3
195.13995	1.1
199.29935	0.8
201.12883	1.4
223.17119	1.7
251.16530	0.9
253.14433	1.4
269.14105	1.4
269.17627	5.9
285.16895	9.7
297.09445	0.9
317.21246	100.0
323.62735	0.9
425.99640	0.9
479.26559	71.1
480.26987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.9
57.03457	1.5
58.00595	0.8
59.01385	26.8
68.80814	0.7
71.01384	18.8
73.02952	9.4
75.00909	0.8
77.44267	0.6
78.38765	0.6
83.01385	7.4
85.02963	13.0
86.00124	1.2
87.00900	2.7
89.02454	6.0
92.10191	1.5
93.03469	2.7
95.01372	1.5
99.00893	3.7
101.02451	19.5
111.00917	0.8
113.02464	6.1
114.39992	0.7
121.02975	10.4
122.03732	9.2
123.04538	1.7
132.02170	1.6
133.02943	8.8
134.03758	1.3
135.04529	4.3
136.01619	2.7
137.06125	0.9
145.02962	3.8
147.04498	1.0
149.02458	55.3
149.06094	2.9
150.03239	59.0
151.03885	1.0
159.03085	0.8
164.04822	10.2
165.05579	36.2
166.06345	7.5
167.07147	3.4
177.05476	1.2
180.04272	3.8
181.05116	0.8
181.08711	8.3
195.06654	12.8
235.06235	1.0
283.09787	1.3
299.09158	0.8
314.11713	9.1
315.12436	2.9
329.13995	18.1
341.10440	0.9
343.13992	9.7
347.17313	1.3
357.15662	1.1
491.19308	100.0
539.21393	19.5
539.29016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2264
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
57.03450	13.0
59.01384	41.9
61.98846	4.5
66.77898	2.8
69.57764	2.7
71.01374	21.0
75.00870	4.6
78.25209	3.0
80.84947	2.8
83.01407	2.8
85.02972	3.4
88.98793	3.4
89.02435	20.8
90.91330	2.5
91.99803	3.0
92.10863	3.5
94.61678	3.3
96.95993	4.0
101.02426	15.2
109.02967	3.7
121.02979	3.8
131.03386	3.2
135.08105	4.1
151.00333	5.6
161.04523	5.8
164.04716	4.3
167.01624	3.5
168.43544	3.2
169.08737	3.6
179.07144	6.1
185.11797	29.5
334.78979	3.3
347.17282	5.4
377.29187	5.3
479.20218	3.9
539.22589	100.0
539.33850	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	537.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44969	0.5
52.53769	0.5
54.82700	0.6
57.03447	0.6
59.01385	14.7
60.46577	0.6
61.98837	3.6
71.05031	0.8
96.09578	0.6
203.14554	0.9
205.15930	0.7
217.07220	1.3
219.13844	1.0
223.17123	1.2
231.25697	0.6
235.17070	100.0
241.14507	0.8
249.15112	0.7
251.16553	0.7
269.17624	2.8
301.16644	3.6
336.61691	0.7
391.09991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	1.6
59.01388	59.2
62.51820	1.3
63.84393	1.5
66.43710	1.2
71.01387	34.6
73.02924	2.6
73.63332	1.3
78.95933	10.6
85.02968	5.7
87.00884	11.6
89.02452	69.6
89.15733	1.5
93.09196	1.4
96.96948	22.3
101.02447	33.2
102.48019	1.8
113.02461	18.1
119.03491	13.6
129.01978	1.8
131.03513	7.4
140.40356	1.5
143.03493	7.4
146.55397	1.5
161.04579	7.8
179.05609	36.3
195.04988	1.7
214.09482	1.5
221.06670	34.4
281.08823	2.5
323.10092	2.3
341.11041	10.4
377.08554	15.7
394.07379	1.6
426.59387	1.6
503.16257	100.0
539.13922	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65591	0.5
56.77188	0.5
57.03444	5.5
59.01382	19.2
59.01653	0.9
59.28869	0.6
60.94621	0.6
61.98838	2.5
69.03466	1.6
71.01386	1.3
71.05038	2.8
73.02948	0.9
74.11426	0.6
82.95421	1.5
83.05038	2.8
85.02966	1.3
85.06611	0.6
95.05047	2.6
96.96028	3.2
97.02979	0.8
97.06581	1.5
99.04544	4.2
101.02464	0.7
101.06052	0.7
109.06626	2.3
109.93399	0.6
111.08201	1.0
116.92864	1.0
121.02969	1.0
121.06622	0.8
123.04473	1.0
123.08170	2.8
125.06116	0.7
135.08165	2.6
149.09831	0.6
151.11230	0.9
153.09224	1.0
153.12849	1.0
163.07611	0.6
163.11281	1.0
165.12877	0.8
181.12393	0.6
187.09782	1.0
189.12874	0.7
203.14442	0.9
205.16022	14.3
207.13892	0.8
209.15382	0.8
223.17061	100.0
224.17426	2.8
241.14455	0.8
249.14929	2.9
251.16533	21.5
267.16043	87.4
268.16428	2.5
269.17642	5.3
537.34882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77384	0.9
57.03471	7.4
58.00606	31.3
59.01392	29.2
61.98843	4.1
63.81042	1.0
66.25766	1.0
69.03470	1.4
71.01389	2.8
71.05038	1.6
73.02950	18.3
75.00889	1.1
79.27838	0.9
83.05046	2.5
85.02979	4.6
87.04558	1.0
95.05066	1.3
96.96004	2.6
97.06573	2.0
99.04522	2.8
109.02909	1.5
109.06568	2.6
111.08126	1.4
121.02956	2.4
121.06583	1.9
123.04549	1.6
123.08150	2.6
125.09702	2.2
127.07702	1.1
133.06657	1.1
133.72673	1.0
135.08136	1.6
137.09749	1.4
139.83264	1.0
141.09247	1.1
148.52538	1.1
149.09697	6.0
151.11307	1.6
153.09213	1.4
163.11365	1.2
167.10851	4.1
203.14420	4.1
205.16039	9.7
207.88457	1.2
219.13808	1.6
221.15411	1.5
223.17053	100.0
235.13419	8.0
249.14973	2.1
251.16524	2.1
266.14816	1.3
267.16022	53.8
269.17593	2.1
285.17276	1.3
369.80914	1.2
391.37961	1.2
405.65793	1.3
537.33099	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	537.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46431	0.5
52.76363	0.5
53.99926	0.5
55.01899	0.6
56.72358	0.7
57.03454	10.9
59.01386	18.5
61.91216	0.6
61.98838	1.1
66.20770	0.6
69.03467	4.2
71.01375	1.5
71.05026	6.2
71.05373	0.6
72.79571	0.6
72.99298	0.7
73.02959	1.2
75.61718	0.6
81.03468	0.9
83.05041	5.9
85.02965	1.0
85.06618	3.3
87.04530	0.6
89.02441	1.0
94.35231	0.7
95.05020	1.1
95.50092	0.6
96.45424	0.6
96.96004	1.5
97.02946	1.2
97.06596	1.1
97.82106	0.5
98.03732	11.4
99.04530	1.2
99.08149	1.3
104.87376	0.6
105.37119	0.7
108.02173	5.8
109.06589	41.0
111.04546	1.6
111.08150	1.4
112.05302	1.2
115.03996	1.0
117.99010	0.6
123.04522	1.0
123.08166	1.2
125.02507	1.0
125.06041	0.8
125.09715	3.7
127.07651	75.7
137.09688	0.8
139.07639	8.3
139.11287	4.6
147.04637	0.7
151.00371	1.1
151.11305	2.8
153.09151	0.9
163.11331	1.3
179.10863	0.7
191.14377	1.4
203.14423	3.1
205.15993	15.5
207.13922	0.9
211.13425	3.0
221.15485	3.4
223.17036	4.7
231.14093	0.7
239.16449	1.5
249.14951	1.5
251.16548	11.9
252.16946	0.9
253.14479	2.4
267.16037	100.0
268.16278	1.3
269.17551	9.5
281.14044	0.7
329.17416	0.8
427.73996	0.8
537.34607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
57.03448	7.2
58.00607	0.8
59.01382	100.0
61.98836	3.5
65.25426	0.5
66.50896	0.5
69.03441	2.2
70.23775	0.6
71.01379	39.7
72.99309	1.3
73.02938	11.2
75.00884	1.0
75.92553	0.7
76.58398	0.8
81.03457	0.8
82.44398	0.6
83.01399	6.4
85.02946	21.4
85.03442	0.7
86.00117	3.2
87.00336	0.8
87.00872	26.0
87.01369	1.3
88.98806	0.7
89.02438	13.5
92.10779	2.1
93.03466	1.2
95.01391	4.3
95.05035	0.6
97.02934	1.0
99.00874	5.6
101.02433	25.5
105.03397	0.6
111.00875	1.2
113.02462	16.3
113.06019	0.6
119.03517	4.8
121.02971	0.7
123.08154	0.9
125.02472	1.5
129.01956	1.4
137.02457	4.5
141.12813	1.0
143.03487	0.9
143.10771	3.5
149.06067	0.8
159.02969	5.3
161.04585	13.8
171.13937	3.5
179.05618	1.1
183.08243	0.9
187.13434	1.0
205.15936	0.8
206.38246	1.0
212.52567	0.6
215.16484	1.0
251.12680	0.9
267.16037	14.2
269.17633	0.8
283.15567	2.6
299.44598	0.7
315.25412	24.5
319.17642	0.7
334.57462	0.9
343.71954	0.7
375.27451	1.0
387.27545	7.5
429.10226	0.8
447.29947	0.8
459.29626	4.5
477.30774	52.2
537.23370	1.2
537.32520	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	537.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79581	0.9
57.03451	14.6
59.01382	52.1
61.98845	1.6
69.03464	15.1
71.01397	6.0
71.05029	6.0
72.99326	1.2
73.02958	2.5
80.02682	2.2
81.03477	5.2
83.05042	7.4
85.02977	5.4
85.56384	1.2
89.02443	2.1
93.07138	1.3
95.01424	2.0
95.05053	5.0
96.96047	1.8
97.02946	57.9
97.06584	4.8
98.03731	19.9
98.04263	1.4
99.08214	1.4
101.02483	1.6
109.06591	28.5
111.04531	2.2
111.08170	1.5
113.02467	6.5
115.04069	1.3
121.02968	1.3
123.04515	1.3
123.08184	1.5
125.02428	2.2
125.06027	1.8
127.07658	11.5
133.10257	1.9
135.08174	1.5
137.06084	2.8
137.09731	2.2
148.89119	1.2
149.04602	1.7
149.09818	1.1
151.11292	2.6
153.12854	2.3
161.04610	1.4
165.09253	1.4
177.12888	5.7
179.14423	7.7
183.13979	2.1
191.14447	2.4
203.14476	8.0
221.15509	4.6
239.16519	1.9
251.16708	1.4
265.14499	14.5
267.16043	2.8
283.15549	41.1
283.26465	1.7
315.19720	100.0
329.21176	4.9
357.20779	8.5
403.15158	1.4
537.34619	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46431	0.5
52.76363	0.5
53.99926	0.5
55.01899	0.6
56.72358	0.7
57.03454	10.9
59.01386	18.5
61.91216	0.6
61.98838	1.1
66.20770	0.6
69.03467	4.2
71.01375	1.5
71.05026	6.2
71.05373	0.6
72.79571	0.6
72.99298	0.7
73.02959	1.2
75.61718	0.6
81.03468	0.9
83.05041	5.9
85.02965	1.0
85.06618	3.3
87.04530	0.6
89.02441	1.0
94.35231	0.7
95.05020	1.1
95.50092	0.6
96.45424	0.6
96.96004	1.5
97.02946	1.2
97.06596	1.1
97.82106	0.5
98.03732	11.4
99.04530	1.2
99.08149	1.3
104.87376	0.6
105.37119	0.7
108.02173	5.8
109.06589	41.0
111.04546	1.6
111.08150	1.4
112.05302	1.2
115.03996	1.0
117.99010	0.6
123.04522	1.0
123.08166	1.2
125.02507	1.0
125.06041	0.8
125.09715	3.7
127.07651	75.7
137.09688	0.8
139.07639	8.3
139.11287	4.6
147.04637	0.7
151.00371	1.1
151.11305	2.8
153.09151	0.9
163.11331	1.3
179.10863	0.7
191.14377	1.4
203.14423	3.1
205.15993	15.5
207.13922	0.9
211.13425	3.0
221.15485	3.4
223.17036	4.7
231.14093	0.7
239.16449	1.5
249.14951	1.5
251.16548	11.9
252.16946	0.9
253.14479	2.4
267.16037	100.0
268.16278	1.3
269.17551	9.5
281.14044	0.7
329.17416	0.8
427.73996	0.8
537.34607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43036	0.2
59.01386	0.5
71.01373	0.3
72.99274	0.2
73.02930	0.4
78.95915	2.9
79.95714	1.6
87.00856	0.2
89.02413	0.2
96.96003	100.0
96.96889	4.8
98.95577	0.3
101.02415	0.3
111.00873	0.4
117.01880	0.3
125.02446	0.5
135.02982	0.3
143.03464	0.2
157.62924	0.2
161.04576	0.4
169.01343	0.9
265.09229	0.4
297.08624	0.4
330.93878	0.2
331.06589	0.5
495.53830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36069	0.6
54.82926	0.7
57.03468	4.0
59.01384	48.8
59.10877	0.7
61.98839	3.3
68.20326	0.6
69.03466	1.2
71.01392	3.6
71.05025	1.2
72.99315	3.7
73.02947	3.5
73.79330	0.7
81.03479	0.8
82.95448	0.8
83.05012	1.4
85.02972	3.4
85.06575	1.1
89.02478	0.7
93.03462	1.1
95.05073	0.7
96.95995	1.3
97.02933	0.8
97.06596	1.4
99.04517	1.4
101.02451	2.9
109.02953	0.8
109.06604	3.1
111.04540	0.9
111.08160	1.2
115.17650	0.8
121.02962	100.0
121.06593	1.4
123.04503	1.1
123.08159	1.0
125.09811	0.8
135.08139	1.4
137.09715	1.1
138.10349	0.7
139.07660	9.4
140.60332	0.8
147.08186	1.2
149.09714	3.2
151.07703	0.8
151.11336	1.0
163.11351	0.8
165.05623	1.5
165.09225	0.9
172.06792	0.8
177.09207	2.7
189.12888	5.0
197.11647	0.7
200.35318	0.7
203.10733	1.1
205.08511	0.8
207.13914	6.3
215.10776	1.0
221.08185	3.0
225.11247	1.0
233.11743	0.8
235.09769	0.8
239.12903	1.3
251.12967	7.1
251.16560	16.0
253.14401	3.4
256.11481	0.7
265.14401	0.9
267.16055	15.4
277.10751	0.9
281.10327	1.7
295.11887	11.4
315.25473	3.0
337.12857	1.3
355.14127	1.5
417.15326	0.8
461.98547	0.7
477.17786	3.6
477.30316	1.2
537.34351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18988	0.5
58.93415	0.5
59.01390	29.0
61.41133	0.5
64.35323	0.6
71.01389	14.0
71.01717	0.7
72.99305	0.8
73.02973	1.0
85.02975	2.4
89.02451	31.9
100.32809	0.5
101.02452	2.7
113.02470	2.2
121.31719	0.5
131.03526	4.8
135.04486	0.8
145.02979	3.0
149.04572	11.8
224.04796	2.6
225.09256	0.9
238.06418	2.6
239.10806	2.2
241.08698	1.4
251.07158	0.7
252.04285	2.1
254.09639	0.8
255.10414	7.4
265.08734	0.7
266.05807	2.8
267.10184	1.2
267.16034	3.6
269.11777	3.6
270.12662	3.4
283.09769	45.0
294.09021	2.8
295.09830	4.8
296.10516	3.0
297.11429	2.5
298.12253	5.3
309.11240	0.9
310.08569	2.1
310.12155	3.3
311.09293	100.0
312.09848	1.1
325.10858	8.9
326.11642	68.7
327.12231	1.1
341.13974	94.6
350.89536	0.6
372.76755	0.6
537.32556	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33992	0.2
59.01388	2.1
61.98825	0.4
67.01887	0.4
71.01394	1.5
78.11767	0.2
79.35804	0.2
83.01377	0.3
85.02942	0.5
89.02391	0.2
92.10061	0.3
93.97835	0.2
95.01412	0.6
96.96024	0.4
101.02443	0.5
106.18154	0.2
108.02180	1.6
108.86691	0.2
109.02961	4.3
111.00893	2.2
113.03844	0.2
119.04996	0.3
121.06676	0.3
123.00883	9.0
123.04513	1.3
124.01670	7.4
125.02460	0.5
127.00442	0.4
133.06615	0.3
134.03732	0.3
135.04523	1.1
136.01663	23.8
137.02451	5.6
138.03267	2.4
139.00363	2.2
139.03996	1.9
146.03732	0.4
149.02487	0.3
149.06081	0.5
151.00383	8.1
151.04016	22.9
152.01158	5.0
153.01949	1.0
154.02673	0.3
160.05313	1.3
161.06065	0.4
163.04021	2.6
163.07652	0.4
164.04816	5.5
165.05583	8.8
166.02727	26.3
167.03505	6.0
173.06076	1.0
175.07671	5.8
176.04790	0.3
176.08476	2.5
178.06348	2.0
179.07140	5.2
180.04337	0.6
181.05084	27.9
181.12360	0.2
186.06821	0.2
188.04787	0.4
189.05446	0.4
190.06372	3.5
191.07162	8.6
191.10814	0.3
193.08717	1.4
194.05858	0.3
195.06653	0.6
201.05617	0.5
203.07179	3.1
204.07848	0.3
205.08687	3.1
206.09511	1.2
221.08144	0.3
221.11612	0.2
234.74440	0.2
251.16536	2.3
267.16095	1.0
310.08557	1.0
315.12552	0.4
325.10831	2.9
340.13141	3.5
343.11923	5.6
355.15417	2.7
357.13681	0.3
358.09824	0.5
358.14285	14.4
373.16620	100.0
374.16995	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80048	0.2
54.86739	0.3
57.03458	1.5
57.41658	0.2
58.05014	0.3
59.01390	1.8
61.76333	0.3
66.01344	0.3
71.01401	0.5
81.05928	0.3
83.05049	0.6
85.02948	0.4
88.98812	0.4
89.02466	0.3
89.82173	0.3
98.55457	0.3
101.02404	0.7
109.02943	3.0
116.92858	1.2
121.02944	3.6
121.88158	0.3
122.03740	2.8
123.04527	3.4
124.01674	1.5
125.02522	0.4
135.04504	1.4
137.02443	9.2
137.09735	0.7
138.03241	3.0
139.04013	2.8
151.04039	0.6
152.04871	0.4
153.05615	2.1
161.06099	3.2
163.04083	1.2
171.91751	0.3
175.03937	0.4
176.04822	0.8
177.05565	3.7
189.05583	4.1
190.06343	3.8
191.07132	3.1
203.07162	0.7
205.05074	1.6
206.05873	5.6
207.06609	0.6
207.13890	0.4
220.07420	1.3
221.08142	2.4
250.98257	0.3
287.12970	1.2
297.11459	0.3
313.10870	0.4
315.12445	6.7
329.14075	0.6
343.11899	47.3
344.12271	0.7
357.13419	1.2
358.14273	52.2
359.14575	0.5
373.16608	100.0
373.25781	3.4
374.16840	1.6
535.31396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3129
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01871	0.4
55.43229	0.4
56.23879	0.4
57.03453	3.4
58.00608	0.4
58.44797	0.3
59.01387	10.7
60.99315	0.7
61.98849	0.6
71.01382	5.2
73.02960	0.9
80.98118	0.4
83.01389	0.6
83.05040	0.9
85.02965	2.1
88.30432	0.4
88.98811	3.1
89.02435	3.7
91.79274	0.5
93.07088	4.6
97.06596	0.6
101.02453	2.5
111.08192	0.5
113.02460	1.8
114.16003	0.4
116.92927	0.7
117.03434	0.5
119.03505	0.5
123.04517	0.8
123.08176	0.9
135.08244	0.5
145.02986	2.8
181.12364	0.5
183.13931	8.8
185.11858	17.3
199.13461	4.3
225.14992	8.7
226.33253	0.4
265.14572	0.5
267.16052	2.2
281.13919	0.5
313.23996	0.6
325.24048	0.6
338.95224	0.5
343.25043	6.4
355.24969	8.5
355.93384	0.5
373.26022	100.0
374.26773	0.6
403.18015	0.6
415.26675	0.5
475.29367	0.7
535.31378	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83074	0.2
59.01377	0.4
71.01392	0.3
72.36342	0.2
72.97718	0.2
75.00875	1.3
78.95905	40.0
79.28770	0.2
85.02937	0.2
87.00863	0.3
88.52800	0.2
92.50209	0.2
96.96059	7.1
96.96957	100.0
107.23688	0.2
129.01959	0.4
157.10242	0.3
158.24759	0.2
158.92543	2.1
159.02991	0.4
176.93600	7.2
191.05568	0.3
194.94691	6.3
195.05106	2.7
222.10361	0.2
283.11755	0.3
327.10968	1.5
439.08594	9.9
534.96295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43684	0.5
57.03453	0.7
59.01385	15.4
60.99311	15.6
61.98833	1.4
63.07077	0.5
70.89877	0.5
71.01386	5.8
73.02968	2.6
75.00898	0.8
83.01406	1.1
85.01456	0.7
85.02954	4.1
87.00897	0.9
88.98804	69.8
89.02444	6.7
89.02894	0.6
96.96046	0.6
99.92579	5.9
101.02441	6.1
107.01402	2.4
109.02962	0.6
113.02473	2.2
116.92858	60.4
119.03526	1.0
121.02945	2.8
131.03537	1.4
133.02969	2.8
134.03815	0.7
135.04503	0.9
145.02922	1.2
149.02397	1.3
149.04626	1.9
151.00359	3.1
161.02441	1.0
175.03973	0.7
177.05435	0.8
181.12199	0.8
183.10268	0.7
185.57298	0.6
191.05554	0.7
199.04138	2.2
212.04793	0.9
227.03583	0.8
228.04341	0.7
241.04881	0.8
243.03165	0.9
256.03799	4.4
267.06616	1.2
268.07141	1.0
269.07944	2.6
270.08524	0.8
271.09048	0.9
283.09521	0.7
284.03299	59.6
285.04083	100.0
286.04501	0.7
327.04993	1.0
327.08713	0.8
330.11020	2.9
340.09299	0.8
341.09824	2.6
342.10690	4.8
343.11887	3.8
344.12289	5.2
345.13223	9.0
355.12006	0.9
356.12421	3.5
357.13278	5.7
374.13492	0.9
399.20169	0.7
442.47400	0.6
447.09406	85.0
459.22284	0.8
491.19217	1.0
537.20453	3.7
537.32959	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	535.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80048	0.2
54.86739	0.3
57.03458	1.5
57.41658	0.2
58.05014	0.3
59.01390	1.8
61.76333	0.3
66.01344	0.3
71.01401	0.5
81.05928	0.3
83.05049	0.6
85.02948	0.4
88.98812	0.4
89.02466	0.3
89.82173	0.3
98.55457	0.3
101.02404	0.7
109.02943	3.0
116.92858	1.2
121.02944	3.6
121.88158	0.3
122.03740	2.8
123.04527	3.4
124.01674	1.5
125.02522	0.4
135.04504	1.4
137.02443	9.2
137.09735	0.7
138.03241	3.0
139.04013	2.8
151.04039	0.6
152.04871	0.4
153.05615	2.1
161.06099	3.2
163.04083	1.2
171.91751	0.3
175.03937	0.4
176.04822	0.8
177.05565	3.7
189.05583	4.1
190.06343	3.8
191.07132	3.1
203.07162	0.7
205.05074	1.6
206.05873	5.6
207.06609	0.6
207.13890	0.4
220.07420	1.3
221.08142	2.4
250.98257	0.3
287.12970	1.2
297.11459	0.3
313.10870	0.4
315.12445	6.7
329.14075	0.6
343.11899	47.3
344.12271	0.7
357.13419	1.2
358.14273	52.2
359.14575	0.5
373.16608	100.0
373.25781	3.4
374.16840	1.6
535.31396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23013	0.2
59.01397	1.1
59.48272	0.2
60.02632	0.2
60.02938	0.2
71.01376	1.2
83.05029	1.3
85.02973	0.4
88.98882	0.3
89.02438	0.4
89.47549	0.3
101.02445	0.3
103.43561	0.3
108.55059	0.3
109.02959	4.2
113.02490	0.3
116.92860	2.2
121.02940	2.4
122.03750	2.0
123.04513	4.1
124.01655	1.3
125.02412	0.5
135.04544	1.5
137.02452	13.1
138.03253	4.3
139.04024	2.6
151.04018	1.6
152.04774	0.7
153.05609	2.0
154.30956	0.3
155.57286	0.4
160.05273	0.4
161.06104	2.9
163.04025	1.4
173.06081	0.6
175.03995	0.5
176.04765	0.7
177.05615	4.1
189.05630	3.6
190.06392	4.4
191.07188	3.8
198.05269	0.3
203.07158	1.3
205.05182	1.1
206.05855	6.4
207.06773	1.1
219.06653	0.4
220.07422	2.1
221.08202	2.0
244.10995	0.4
287.12833	0.7
314.11740	0.6
315.12433	7.4
329.14258	0.5
343.11932	51.2
344.12222	1.5
357.13681	1.3
358.14294	51.9
359.14557	0.7
373.16626	100.0
374.16962	2.4
404.79785	0.4
478.53867	0.4
535.31281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
71.01375	1.3
85.02954	1.1
96.96037	0.6
97.06577	0.5
98.48295	0.6
101.02489	0.6
103.61240	0.5
108.02193	0.8
109.02956	2.7
111.29575	0.5
119.08615	0.6
123.00873	2.5
123.04514	0.8
133.06589	1.0
134.03712	0.8
136.01660	49.5
137.02449	5.0
139.00316	0.7
146.03676	1.0
148.05315	0.9
149.06108	2.3
151.00394	14.2
151.04022	51.8
152.01144	7.2
160.05267	1.0
163.07677	2.4
164.04826	2.3
165.05580	0.9
166.02716	48.7
167.03549	10.4
173.06093	1.0
175.03973	0.7
175.07632	7.9
176.04846	0.7
176.08423	3.1
178.06314	1.3
179.07092	1.3
181.05078	43.0
181.12291	0.9
190.06400	6.8
191.07176	5.9
201.05577	1.0
203.14427	2.2
205.08714	4.5
206.09520	2.8
235.13428	0.6
236.69472	0.7
247.13268	1.0
265.14529	9.3
267.16122	1.1
295.06238	0.8
310.08569	2.8
325.10928	6.7
340.13214	6.2
343.11661	1.1
355.15488	5.7
358.14288	4.7
373.16626	100.0
374.16873	0.9
507.03986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53878	0.5
55.01887	1.5
55.44403	0.5
57.03445	3.1
58.00592	0.9
58.78214	0.6
59.01384	56.0
61.98835	4.1
68.00645	0.6
68.89896	0.6
69.01535	0.6
69.03442	0.7
70.39526	0.7
71.01383	24.1
71.71885	0.7
72.99304	0.8
73.02939	6.2
79.95760	0.8
83.01371	5.5
84.95105	0.8
85.02941	11.6
85.42130	0.6
87.00874	1.1
89.02445	18.4
92.10818	0.6
95.01367	0.8
96.96004	3.5
97.02940	0.9
99.00885	7.3
100.38556	0.6
101.02441	18.1
113.02451	5.7
114.40095	0.7
116.92844	1.2
117.03445	1.2
119.03466	3.0
125.02417	1.6
129.01910	1.6
131.03503	39.7
137.09735	0.8
143.03468	0.9
145.02950	5.8
149.04509	0.9
161.04536	0.9
173.04576	0.9
175.07629	3.9
179.05597	0.8
179.10773	3.5
180.74663	0.7
191.05602	12.5
199.13364	4.6
205.08157	0.7
219.06625	6.2
221.15506	5.7
231.07050	1.0
239.16550	1.6
265.14432	1.5
267.16144	2.4
274.94791	0.7
279.12433	5.0
331.26541	0.9
341.18811	1.0
358.05771	0.7
393.34647	0.7
401.21576	4.2
473.27710	4.0
533.25983	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	533.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51982	1.4
59.01390	100.0
64.05634	1.6
67.53291	1.8
67.84269	1.6
82.99735	1.7
108.72260	1.5
117.40147	1.7
169.86443	2.0
181.82605	1.6
235.16971	2.6
250.71898	2.5
256.70099	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68595	0.3
56.68039	0.3
57.03442	0.3
59.01386	100.0
61.98839	1.2
69.03494	0.3
71.05026	1.3
90.19325	0.3
105.75710	0.3
107.70924	0.3
111.08173	1.2
111.69659	0.3
123.08180	0.4
145.11559	0.3
155.10776	0.5
162.44165	0.3
181.12404	2.5
218.87253	0.3
225.71094	0.3
255.23296	0.4
348.35214	0.3
473.35773	0.3
518.77393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35459	0.3
54.82899	0.4
59.01392	100.0
60.55192	0.3
62.76358	0.3
92.10119	0.5
120.13542	0.5
186.84674	0.4
189.61412	0.4
240.00882	0.4
255.23300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78561	0.2
59.01392	100.0
59.21870	0.2
59.29274	0.2
60.01722	0.3
61.98840	1.4
69.83272	0.3
76.58181	0.3
83.05031	1.5
90.29836	0.3
97.06606	0.5
104.28850	0.3
111.08141	0.4
112.65554	0.3
125.02452	0.4
133.27602	0.3
134.51770	0.4
163.11313	1.3
181.12331	0.7
194.71606	0.3
254.30153	0.4
255.23270	1.2
276.86331	0.3
294.43756	0.3
361.60532	0.3
369.33652	1.0
480.54834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81082	1.5
58.00598	1.9
59.01388	100.0
59.95319	1.4
60.00911	21.7
63.73132	1.6
69.03484	8.7
69.85189	1.6
71.01387	48.4
71.01769	1.8
72.99319	2.9
73.02959	20.8
75.36131	2.0
83.01417	3.1
83.92089	1.7
84.42436	1.8
85.02956	22.8
87.00868	2.8
89.02454	25.8
92.10114	3.3
95.01422	2.2
97.02975	10.0
99.92595	2.7
101.02455	25.4
103.04002	27.8
116.92857	41.5
117.92872	27.7
118.18113	1.7
119.03512	10.3
119.05022	7.6
125.02428	34.4
138.68982	1.8
143.03490	2.2
143.76926	1.9
145.05139	3.9
163.06133	34.2
166.05096	54.8
176.58490	1.7
243.23582	2.0
247.08182	8.7
307.10403	59.2
346.17926	1.9
474.16269	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90924	0.9
56.30533	0.8
58.00589	8.4
59.01377	65.7
61.98828	9.9
67.18211	1.0
69.03461	1.7
71.01370	25.5
72.99311	7.2
73.02948	7.4
75.00859	39.7
83.01377	2.4
85.02962	4.7
87.00871	5.9
89.02426	30.6
93.03510	1.0
96.95996	18.3
97.02933	2.6
99.00863	2.3
101.02448	7.3
109.02965	2.4
113.02439	1.5
115.29838	1.2
116.92873	6.2
119.44115	1.1
121.02964	4.7
125.02412	14.5
125.06055	1.3
131.03503	2.2
133.06558	1.3
135.04588	1.1
137.02400	5.1
143.08647	5.2
145.05115	1.7
149.04546	5.1
155.07141	2.1
159.04480	1.6
159.08138	15.9
166.02689	9.7
166.06380	11.7
167.03445	2.2
171.08141	12.7
173.06105	4.6
175.04005	2.1
175.07643	2.6
177.05537	1.4
177.09218	2.2
181.08722	4.4
185.06096	1.9
187.07664	5.0
189.09233	7.2
191.05429	1.4
191.07130	1.4
191.10760	2.2
201.05540	4.6
201.09251	4.2
205.08743	5.2
207.10245	18.6
209.04671	1.5
216.43822	1.2
219.10237	2.3
225.11313	1.7
233.06616	2.7
237.11295	2.5
251.05644	2.2
251.09079	1.8
259.06250	1.7
265.10724	1.3
267.12372	17.4
293.08713	15.6
295.08173	1.5
310.10236	2.4
325.09436	1.9
329.12369	10.2
337.24384	1.1
413.18439	4.2
473.16891	1.4
475.18201	100.0
535.18353	2.3
559.80200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
65.29115	0.2
65.88290	0.2
67.81762	0.1
68.32434	0.2
69.37221	0.1
71.01403	0.2
71.56589	0.1
72.99303	0.2
78.95911	2.2
79.95747	1.8
89.02481	0.2
96.96014	100.0
113.02427	0.2
125.01472	0.2
125.02393	0.2
167.03467	0.3
216.95633	0.2
223.21025	0.2
294.99396	0.2
359.93661	0.2
513.55255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Phellavin
Peak:m/z	Relative Intensity
53.65024	0.7
54.44168	0.7
59.01385	14.1
60.46039	0.6
61.98855	0.9
71.01408	5.1
72.17847	0.8
73.02956	2.0
84.78469	0.8
85.02988	1.9
86.12239	0.7
89.02460	3.0
89.48298	0.7
91.66278	0.8
93.03448	0.9
96.96025	3.0
101.02446	3.4
108.02203	0.8
109.02973	1.4
113.02470	1.1
114.93414	1.7
117.03428	6.2
119.05029	5.4
121.02949	20.3
123.04517	4.4
125.02427	1.1
125.71769	0.8
130.41736	1.0
135.04526	3.4
137.02489	1.4
145.02972	21.8
147.04512	7.5
151.04054	1.2
159.04536	3.9
160.05280	1.3
162.06897	1.0
163.04027	1.7
163.11307	1.4
164.04736	1.1
175.07645	1.4
179.03537	4.5
194.05807	6.1
208.05319	0.9
209.08278	1.0
223.07640	0.9
225.09250	1.6
227.07195	1.0
237.05573	1.4
239.07127	4.4
240.04262	1.7
240.48428	0.9
241.05148	2.8
241.08736	3.3
251.07256	3.4
252.07974	1.1
253.05095	3.1
253.08818	3.9
254.05968	1.7
255.06685	13.6
257.08185	0.9
265.08838	1.4
267.06647	23.3
268.07434	9.1
269.08218	37.4
280.07495	8.1
281.08243	12.0
282.08893	1.6
283.09793	22.7
284.10504	7.0
285.04254	1.5
295.09775	12.0
296.10571	1.9
297.11459	0.9
299.12955	3.5
307.08295	7.1
310.08289	1.3
311.09317	25.8
311.12704	1.6
323.09299	1.5
325.07098	1.4
325.10693	0.9
328.09604	11.7
329.14087	3.9
340.09586	40.5
343.11923	100.0
355.11932	60.5
373.13055	20.3
447.09564	1.3
450.00934	0.9
535.17981	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43623	0.8
55.01876	1.4
55.68637	0.8
57.03458	4.4
59.01385	74.4
61.98838	6.8
71.01382	32.1
71.01773	1.4
72.99289	0.9
73.02940	9.3
81.03457	1.0
83.01382	6.4
83.05024	1.5
85.02959	11.8
87.00867	1.7
89.02439	23.1
94.55357	1.1
95.01382	1.5
96.95996	3.9
97.02964	1.4
99.00890	7.7
99.04545	1.0
101.02441	26.9
113.02435	7.0
116.92849	1.5
117.03462	4.3
119.03502	4.2
119.34212	0.9
125.02489	1.2
129.01866	1.4
131.03490	36.4
137.02443	0.9
145.02951	12.1
163.04033	1.0
175.07626	2.2
179.05565	1.1
179.10797	1.9
184.91066	1.0
191.05647	15.2
193.06476	1.4
199.13351	4.2
219.06610	4.7
221.15422	3.8
239.16621	1.2
253.42799	1.0
263.87997	1.0
265.14410	4.6
267.16016	2.1
279.12332	5.2
317.95151	1.0
341.19083	1.0
371.24384	2.1
392.95364	1.2
401.21915	4.6
473.21576	1.1
473.27704	6.2
533.26001	100.0
534.26563	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	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26020	0.5
51.75918	0.7
52.03191	0.6
54.83140	0.7
55.01877	5.5
57.03460	4.2
58.00604	1.0
59.01384	38.5
59.50412	0.6
61.98810	2.5
69.03459	1.3
71.01377	29.3
72.99310	1.0
73.02946	11.7
78.24831	0.6
81.29946	0.7
83.01385	7.7
83.05018	1.2
85.02945	15.9
86.00107	0.8
87.00888	3.2
89.02446	8.5
91.70942	0.7
95.01378	3.8
96.95988	5.7
97.02955	2.7
97.06556	0.8
99.00867	6.8
101.02441	27.4
108.05819	1.0
109.02979	1.0
111.04533	0.8
113.02445	9.0
113.06046	0.9
116.92830	2.8
117.03456	1.6
119.03512	0.8
119.05103	0.8
120.99624	2.9
122.03728	1.4
125.02449	1.4
125.06030	0.9
125.09733	1.1
131.03487	3.7
136.05244	1.3
138.06868	1.7
139.07648	4.8
143.03452	2.9
145.02982	8.2
149.06062	0.8
151.07646	5.8
152.08386	3.1
153.09206	1.2
161.04549	4.5
163.03964	0.8
175.11322	0.9
179.10887	1.2
201.12840	3.8
203.10837	1.1
204.11554	4.0
219.13927	8.9
231.58649	0.8
263.12885	9.4
265.14447	4.2
337.20505	1.0
357.22885	3.0
371.24457	2.8
401.21884	1.2
475.51541	0.8
497.21890	4.9
522.76886	0.8
523.89795	0.8
533.26007	100.0
534.26221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03446	0.6
59.01385	40.8
60.73457	0.4
64.35172	0.5
71.01388	16.1
72.99310	8.3
73.02953	1.9
83.01394	2.2
85.02950	6.9
87.00878	11.5
89.02451	15.3
95.01381	1.0
96.96019	0.6
101.02446	11.6
107.05074	0.5
111.15645	0.4
113.02453	6.6
119.03514	3.6
123.04533	0.6
126.90413	0.7
175.11256	5.6
177.12724	0.6
187.11266	0.6
191.05659	2.1
196.59340	0.5
203.10808	0.7
205.12292	0.7
231.10236	2.3
249.11378	2.7
282.87549	0.5
293.10373	8.8
306.95016	0.5
411.16672	4.8
425.08640	0.5
429.17813	2.8
473.16724	100.0
474.17316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88374	0.4
59.01389	2.9
60.99310	3.0
61.98886	0.4
66.49565	0.4
71.01383	0.8
72.99303	4.5
76.57943	0.5
83.57321	0.5
85.02946	6.2
87.00879	2.2
87.99162	0.4
88.98801	14.9
89.02425	0.7
91.05530	2.5
92.10827	0.6
93.03470	3.2
96.96003	4.6
101.02422	0.6
107.05011	3.2
108.02158	0.5
111.04528	0.8
113.17081	0.4
115.05516	0.6
117.03478	0.8
119.03345	0.6
121.02950	3.4
124.93002	0.4
127.04026	1.8
131.05014	0.4
133.06599	2.4
135.04532	0.7
137.06070	0.9
149.06090	12.9
163.04002	2.8
165.01884	0.7
173.04564	2.3
177.05545	5.8
179.03520	7.9
189.12965	0.5
191.05620	100.0
192.05984	0.6
239.05629	28.4
239.08075	0.9
255.61139	0.4
311.11429	5.3
322.76376	0.4
473.16571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28017	0.1
59.01385	1.8
59.21362	0.1
60.99320	0.1
62.66521	0.2
62.75436	0.2
67.01905	0.3
71.01400	1.0
73.02930	0.3
78.95928	0.4
81.03442	0.2
83.05035	0.3
85.02950	12.1
86.13776	0.1
87.00880	2.2
90.63088	0.2
93.03451	3.7
99.00860	0.2
99.04527	0.2
100.65153	0.2
109.02963	1.1
111.04521	1.4
113.44647	0.2
124.58006	0.2
127.04012	2.6
137.02420	0.2
155.03453	0.2
171.02989	0.7
173.04562	1.3
191.05626	100.0
192.05962	0.3
225.02184	0.2
380.81894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14600	0.2
55.01883	0.2
57.03462	1.1
59.01394	4.1
59.22173	0.2
61.59175	0.2
67.01910	0.3
69.69272	0.2
71.01386	3.3
72.99331	0.3
73.02962	0.4
75.00892	0.4
81.03470	0.3
83.01391	0.5
83.05036	0.3
85.02957	10.5
85.03448	0.4
87.00880	3.1
89.02440	2.4
92.10766	0.9
93.03475	3.4
99.00900	1.2
99.04568	0.4
101.02460	0.5
101.06092	2.4
109.02955	0.4
111.00864	0.5
111.04536	1.3
112.98824	3.2
113.02454	0.5
115.04013	1.2
119.03516	1.2
126.62737	0.2
127.04014	2.9
129.01962	1.1
129.05579	0.5
142.99878	1.5
157.10220	0.5
171.02965	1.0
173.00914	0.5
173.04601	1.8
179.05640	0.6
191.05637	100.0
197.04662	0.6
327.10898	1.5
341.11160	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	533.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84632	1.6
55.28843	1.3
58.00608	1.6
59.01385	71.0
69.03478	1.7
71.01380	25.0
72.99306	100.0
76.17537	1.4
80.08761	1.6
83.05058	7.0
85.02973	7.1
87.00864	2.5
89.02450	28.6
97.06583	1.6
101.02453	9.9
113.02477	6.7
119.03519	8.9
121.06590	2.3
144.30522	1.5
161.09756	1.7
162.78368	1.8
179.05623	3.1
189.08313	1.5
190.06294	1.8
243.12390	27.4
249.11317	3.3
293.10339	43.2
369.06595	1.6
473.16785	76.5
517.67554	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	531.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.3
58.00616	1.0
59.01384	100.0
61.98848	1.2
69.04697	0.5
71.01381	26.0
73.02959	2.9
83.01403	0.9
85.02962	6.2
87.00922	0.9
87.77467	0.5
89.02443	33.2
91.35529	0.5
95.01390	2.7
95.04999	0.8
96.96013	5.8
99.04534	0.9
101.02432	10.7
102.77741	0.5
113.02460	9.6
119.03503	10.9
125.02448	0.7
131.03494	1.1
143.03511	2.4
145.02943	3.0
161.04599	3.6
163.04024	0.5
179.05650	11.1
185.89458	0.6
251.68098	0.5
253.04979	2.5
263.12796	0.7
331.24863	0.9
369.22830	1.0
431.19684	0.9
471.26132	1.0
531.14856	0.8
531.21625	0.7
531.28931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
59.01385	100.0
61.31184	0.8
64.77337	0.8
68.37991	0.9
69.22249	0.9
71.18441	0.8
75.67358	0.9
81.94295	0.8
98.06546	0.9
136.82092	1.0
209.15436	2.1
233.15485	6.0
251.16626	1.4
323.04785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86849	0.6
59.01384	100.0
61.98836	1.1
63.66964	0.6
66.11419	0.6
69.53625	0.5
80.21552	0.6
86.97765	0.6
280.63763	0.7
352.18396	0.7
354.34253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
79.65191	0.2
83.05064	0.3
97.06593	0.5
110.01733	0.3
111.08191	0.3
121.06549	0.5
148.16048	0.2
163.11287	2.4
169.44576	0.3
196.92049	0.3
238.86713	0.2
256.33722	0.2
355.08289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03488	0.2
59.01393	1.0
63.46304	0.1
64.11456	0.1
65.00326	0.3
69.99890	0.1
79.95750	1.9
83.05038	0.4
93.25164	0.2
96.96009	100.0
97.12354	0.2
104.09799	0.2
107.01376	0.3
125.02367	0.2
128.87547	0.2
150.03203	0.3
151.00392	2.3
151.04031	0.6
152.01117	0.2
178.99959	0.2
213.11401	0.2
225.08531	0.2
285.04053	1.3
335.93845	0.2
375.59183	0.2
435.09265	1.3
517.74414	0.2
544.16260	0.2
559.07733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.9
58.00601	1.0
59.01386	100.0
61.98851	1.0
69.03482	0.6
71.01390	24.7
72.99319	0.8
73.02950	2.1
78.68307	0.6
83.01406	0.5
83.05055	0.8
85.02956	4.6
87.00893	0.9
89.02451	28.8
95.01410	1.1
96.96003	6.6
97.50818	0.5
101.02445	9.5
111.39951	0.7
113.02460	8.6
116.92805	0.6
117.03472	1.2
119.03506	10.9
119.05024	2.3
122.32973	0.6
125.02463	1.0
131.03453	1.1
141.09299	0.6
143.03520	1.1
145.02939	6.1
149.04521	0.7
151.00386	2.2
155.05069	0.6
161.04573	2.8
163.04076	0.8
178.99934	1.0
179.05588	8.9
179.12717	0.6
225.31911	0.6
253.05066	2.8
255.02911	0.8
284.03268	2.5
331.24945	0.7
369.23056	0.9
381.09695	0.9
471.30145	1.1
513.31488	0.7
531.15088	2.8
531.22449	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	531.224
Annotation	Rzedowskin A
Peak:m/z	Relative Intensity
56.24613	0.3
57.03459	1.7
59.01384	11.5
60.06298	0.3
61.98837	1.9
71.01376	6.0
71.05048	0.4
71.66477	0.4
73.02939	2.8
75.18626	0.4
82.95428	2.0
83.05048	0.7
85.02978	1.9
85.06583	0.5
89.02450	2.5
92.10120	0.4
93.03468	0.7
96.95967	0.6
99.04549	1.0
99.30653	0.4
101.02464	2.3
113.02518	1.9
116.92872	0.7
117.03468	32.7
119.05019	16.2
121.02964	0.6
123.04574	0.6
131.03519	0.5
132.28857	0.4
133.06554	2.0
135.04529	0.5
138.06837	0.6
141.09274	0.5
145.02960	100.0
151.07683	0.7
152.08490	0.7
153.09222	1.6
161.06081	3.8
163.04013	16.9
163.11273	0.5
177.05569	1.6
205.05052	3.8
205.12347	2.4
208.71645	0.5
255.02907	0.9
265.07144	0.9
265.14267	0.5
284.03156	0.7
305.17477	0.6
307.18881	0.5
414.01059	0.5
471.30334	1.3
493.29678	1.3
531.15631	2.6
531.22357	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
58.00602	0.2
59.01385	8.4
64.34608	0.3
69.03484	0.2
71.01380	3.7
72.03246	0.2
72.99319	0.3
73.02949	0.5
83.01423	0.3
83.05029	0.4
83.82166	0.3
85.02973	1.7
87.00870	0.3
89.02448	1.9
89.80891	0.2
93.03475	0.5
96.96011	0.6
101.02444	2.1
113.02475	0.7
117.03468	32.4
119.05024	16.1
121.02944	0.6
133.06581	1.7
135.08224	0.4
136.05292	0.6
138.06879	1.1
145.02966	100.0
146.03279	0.5
151.00391	0.6
152.08342	0.5
153.09248	1.4
161.04709	0.4
161.06078	3.3
161.09663	0.3
163.04016	16.7
163.11290	0.6
168.67424	0.3
171.38454	0.3
177.05656	0.5
205.05110	3.1
205.12325	3.4
223.38103	0.3
235.06099	0.4
255.32799	0.3
265.07190	1.3
270.16852	0.3
301.03583	1.1
307.08340	0.7
331.24854	0.3
339.18213	0.4
369.22473	0.4
471.29916	0.5
531.22412	55.7
532.22522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15757	0.1
58.99868	0.1
76.49825	0.1
78.95911	1.9
79.95756	1.7
89.41653	0.2
96.96007	100.0
96.96992	2.8
98.95598	0.9
101.02438	0.2
101.56193	0.1
127.69740	0.2
162.23083	0.2
191.74911	0.2
475.77072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.6
55.37870	0.7
57.03462	3.9
58.00605	1.7
59.01385	100.0
59.62100	0.7
61.98829	1.6
62.09600	0.7
69.03474	3.6
71.01381	41.4
71.05016	0.7
72.99323	3.8
73.02939	16.0
74.27065	0.9
81.03474	4.6
83.01412	3.6
83.05025	14.7
85.02943	16.5
87.00889	1.4
87.04553	1.1
89.02438	16.0
96.95981	7.9
97.02917	6.1
99.00861	2.1
99.04514	1.2
99.08212	1.0
101.02429	20.2
103.04011	15.3
106.41738	0.8
113.02464	4.3
119.03496	6.8
125.02432	20.6
127.03969	1.3
143.03542	3.4
145.05052	3.7
147.31285	0.9
148.05292	41.8
163.06126	17.0
163.07643	11.9
183.10324	1.4
183.13818	1.2
245.13968	1.0
247.08269	4.5
266.87555	0.8
307.10306	18.6
332.70419	0.9
487.66040	0.9
495.24344	1.1
495.31982	1.5
531.29474	6.7
539.04486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29184	0.6
56.31512	0.6
58.00608	1.4
59.01385	1.5
61.21817	0.5
61.62304	0.5
71.01403	0.6
72.99313	28.6
73.25195	0.5
88.62453	0.6
91.05537	25.2
92.10744	1.0
95.06030	0.6
96.96037	1.1
99.06219	0.5
105.73399	0.6
107.05067	2.6
111.23117	0.5
115.05560	4.0
117.03496	7.3
122.58664	0.6
122.83669	0.5
131.05034	7.7
133.06589	7.7
135.04575	1.3
136.40497	0.7
136.67982	0.6
147.04527	1.4
149.06088	64.3
163.04018	15.4
177.05579	19.6
179.03491	9.9
195.06679	0.7
239.05638	100.0
349.39664	0.6
443.74640	0.6
529.15277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14216	1.0
53.46325	1.1
55.01888	5.7
55.15092	1.3
55.18987	1.1
57.03463	2.4
58.00610	1.5
59.01388	69.2
59.98526	1.5
61.98840	7.2
65.00333	2.5
71.01383	60.5
72.99312	3.2
73.02947	1.2
83.01390	55.8
83.05035	1.5
85.02949	11.1
87.00896	1.5
88.98811	5.3
89.02439	53.8
92.66000	1.4
95.01395	2.2
96.96021	12.2
96.99336	1.6
99.00879	19.4
99.08155	22.8
101.02443	33.7
107.01382	6.1
109.02934	2.0
111.00869	4.9
113.02467	19.1
119.03495	18.7
121.02976	2.6
123.04522	11.1
124.98820	10.6
125.02396	6.3
125.06085	7.8
125.22594	1.4
126.99459	2.5
127.00368	57.7
129.01938	10.8
139.00336	2.2
143.03526	1.5
143.07150	100.0
145.01431	7.0
151.00395	18.0
151.04005	7.1
152.00812	3.2
152.04353	1.9
153.01910	1.3
154.99817	2.5
157.01421	1.7
161.04591	1.6
167.03523	20.9
173.00896	5.8
178.99823	2.1
179.05632	10.0
182.25217	1.2
191.03499	3.1
193.43504	1.4
197.32204	1.3
209.04533	1.8
232.02017	1.3
241.10751	1.7
285.04004	5.5
286.04413	7.8
329.08771	5.8
335.06213	9.0
336.07034	50.5
466.10660	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	529.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35094	0.5
51.76188	0.5
59.01392	15.8
61.98836	1.2
70.28064	0.6
71.01424	0.6
79.25293	0.6
80.91701	5.0
95.05026	0.8
117.03470	13.7
119.05025	5.3
121.02942	1.1
123.04546	1.0
124.05272	0.6
132.05820	0.9
143.06851	0.7
145.02965	50.8
147.04510	1.0
160.29617	0.5
163.11292	0.7
185.02168	5.3
198.95091	0.6
199.11176	0.8
201.12854	2.8
217.22717	0.6
257.39368	0.7
269.19122	4.2
299.20190	7.3
431.22327	1.2
447.25473	26.2
448.26065	0.8
469.23660	100.0
470.24054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.5
61.98835	100.0
63.09296	0.3
63.93423	0.3
64.80066	0.3
68.34339	0.3
76.14693	0.4
76.52209	0.3
80.31537	0.4
96.42937	0.4
97.06588	0.4
137.71292	0.4
145.02876	0.4
224.29910	0.4
246.03387	0.4
251.15736	0.4
377.88553	0.4
445.23642	0.5
463.25003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59246	10.7
55.86848	12.7
71.50336	15.2
72.60542	18.9
92.10795	36.6
97.23846	14.6
100.66644	16.0
182.38722	14.5
299.15524	16.4
311.09308	71.2
326.11563	84.7
341.13974	100.0
354.23410	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01387	1.1
61.98832	33.6
63.02409	1.1
65.00326	17.6
81.84037	0.4
83.01389	6.6
95.01411	0.6
97.28575	0.4
103.24329	0.4
105.03513	0.5
107.01396	28.6
109.02959	0.8
117.06200	0.4
122.03741	0.5
123.04530	10.4
124.01672	0.9
125.02440	10.5
133.02940	5.1
135.04523	2.8
149.02461	2.4
150.02138	0.6
150.03244	10.9
151.00383	100.0
151.04008	26.1
151.05244	0.9
152.01184	7.5
159.04453	0.5
169.01433	0.9
171.04576	0.6
175.03995	2.2
176.01161	1.8
177.01941	0.9
178.99870	7.0
182.02351	0.4
185.06050	1.0
187.04167	0.6
189.05692	0.8
198.03310	0.5
199.04007	3.8
212.05043	0.5
213.05608	1.8
215.03680	0.7
217.05029	2.1
229.05063	0.6
241.05142	2.4
257.04614	0.8
259.25046	0.5
272.96564	0.5
285.04083	63.6
297.09058	0.5
303.05069	3.5
313.09314	0.6
339.07199	3.3
446.39429	0.5
465.10455	56.3
525.95886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.3
59.01392	3.1
61.98833	57.2
63.02419	1.1
65.00329	16.0
68.58498	0.6
69.53870	0.7
71.01383	1.1
83.01381	9.7
90.03763	0.7
95.01392	1.7
101.02484	0.8
107.01395	30.9
109.18271	0.8
121.02979	0.9
123.04520	11.3
124.01644	1.9
125.02448	35.5
133.02954	7.1
135.04555	1.7
138.08821	0.8
149.02400	3.6
150.03226	11.5
151.00380	100.0
151.04004	28.0
152.01201	13.4
153.01877	0.9
169.01425	3.6
173.05917	1.0
174.03157	1.1
175.03970	3.2
176.01231	0.9
177.01971	2.7
178.99829	10.1
185.06081	1.3
189.05548	1.3
193.05028	0.9
199.04025	3.8
213.05554	1.4
217.05025	3.5
241.04948	2.7
257.04517	1.7
259.06134	3.2
275.05573	3.5
285.04071	64.1
286.04327	1.1
303.05127	4.6
329.86874	0.9
339.07156	1.5
352.94122	0.7
355.26987	0.8
413.63062	0.8
432.35815	0.8
437.11075	1.2
447.09610	1.0
460.80179	0.9
465.10461	84.4
466.11389	1.3
495.58398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	52.7
61.75216	22.4
92.10085	49.4
136.74023	23.9
163.11290	33.1
190.27481	22.2
191.14346	100.0
233.15430	46.1
234.98480	26.9
332.14700	26.1
489.32404	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	73.9
65.14343	49.7
72.92190	51.2
82.05367	58.5
83.05035	82.0
90.55596	49.3
92.65872	54.6
92.86699	61.0
106.12601	51.6
121.06628	91.1
143.89844	56.4
161.09636	77.0
204.40129	65.9
231.76202	56.8
255.23344	100.0
284.99777	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96637	12.7
54.34700	14.4
64.34374	14.8
80.83487	17.4
107.29215	16.7
123.08142	22.4
132.89438	18.3
191.14410	76.6
210.37852	18.4
233.15501	32.8
235.17033	100.0
368.82492	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	525.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48424	0.4
54.34410	0.3
57.03451	28.1
59.01381	8.8
61.98826	6.2
63.53481	0.4
69.03445	0.6
71.01385	1.0
71.05021	6.9
76.47469	0.4
83.05033	4.5
85.02983	0.6
87.04539	0.5
89.02431	0.8
97.06598	1.8
99.04520	0.6
123.08183	0.6
125.09705	5.3
141.12888	3.5
171.13896	0.9
185.11832	42.7
197.11865	2.4
211.13409	0.6
211.17050	1.0
237.14958	0.8
253.14442	0.8
254.14874	0.5
255.16039	100.0
255.23274	2.3
256.16492	0.9
333.72522	0.5
362.08908	0.5
463.41208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83315	0.5
59.01397	0.7
61.34903	0.4
61.98839	11.4
63.19626	0.4
65.00328	0.6
71.01386	0.4
72.49746	0.4
77.36175	0.4
78.50524	0.5
83.01405	0.9
85.01920	0.4
88.93562	0.4
89.02440	0.5
92.10792	1.0
107.00266	0.4
107.01421	3.6
108.02143	1.1
109.02972	1.1
121.02958	2.1
124.01588	0.4
135.00906	0.7
135.04488	0.5
148.01688	0.9
151.00381	10.4
163.00388	2.8
164.01151	1.0
175.67392	0.4
178.99831	3.3
180.07896	2.0
181.08234	0.5
211.04065	0.6
215.03419	0.6
216.04320	0.6
226.02744	2.3
227.03531	2.4
229.05069	0.6
243.03001	10.7
245.04535	0.9
254.02261	3.7
255.02998	26.8
271.02499	57.7
272.03116	2.0
273.04242	0.7
283.02634	0.6
299.01981	0.9
300.02777	100.0
301.03568	30.6
329.70013	0.6
362.16901	0.5
363.17130	0.9
463.08902	64.9
465.22672	0.6
529.58282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.4
71.01389	11.7
72.99350	0.6
73.02979	0.7
85.02982	1.2
89.02443	9.0
93.03454	0.6
95.01402	0.6
101.02441	4.0
107.05048	3.3
108.02197	0.7
109.02969	0.8
113.02421	3.8
117.47246	0.6
119.03508	4.9
119.04977	0.8
121.02963	15.5
122.03742	10.7
129.03468	0.9
134.03740	69.5
135.04533	24.3
137.02451	0.7
137.06070	0.8
143.03482	0.7
145.02956	1.2
146.03746	85.7
147.04559	8.8
149.06085	63.2
150.03256	3.9
154.02721	0.6
161.06090	37.3
162.03261	9.1
163.03970	2.2
164.04802	44.0
165.05571	42.6
166.06351	28.0
167.07135	62.7
174.03258	1.1
177.05544	4.9
179.07141	100.0
180.07568	0.6
189.05597	1.1
283.09930	0.7
289.63531	0.6
312.10062	0.8
315.12427	15.6
327.12439	13.1
345.13608	4.6
484.78729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.2
57.03469	3.3
58.02325	1.6
59.01385	100.0
61.98833	2.0
62.99872	1.6
70.70383	1.4
71.01379	58.8
71.01763	2.0
73.02946	13.1
83.01402	6.3
85.02951	29.2
87.00869	2.0
89.02445	17.9
95.01427	6.7
96.96012	2.7
99.00890	7.2
101.02441	42.9
113.02454	29.2
119.03513	2.5
121.02925	3.0
122.03743	7.4
125.02434	3.0
131.03503	23.9
134.03766	20.6
135.04469	3.9
136.16473	1.6
139.04088	1.7
146.03810	11.9
149.04977	2.9
149.06105	30.2
159.02948	3.1
161.04567	27.1
161.06067	7.6
164.04805	7.8
165.05548	8.3
166.06360	9.4
167.07138	64.2
167.08566	2.4
174.92387	1.8
179.07172	22.4
189.81433	1.7
220.12390	2.0
221.08214	2.7
294.00476	1.8
307.19989	1.8
315.12454	12.4
333.15399	3.6
333.19263	81.7
345.13492	3.7
351.14420	1.6
363.14722	7.8
425.92599	1.8
465.17697	2.5
465.23563	44.3
525.19775	7.0
525.29126	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	525.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28293	0.5
57.03466	1.0
59.01388	18.4
61.98832	0.8
71.01391	1.0
71.05050	0.9
72.16759	0.7
80.97740	0.7
81.03471	0.6
83.05032	1.3
85.02960	0.9
87.00896	0.9
95.05022	0.8
96.96019	4.4
121.02914	0.8
123.08213	0.8
137.09770	0.9
141.01735	0.7
149.09763	0.8
171.13922	1.1
177.12849	5.6
195.13936	19.2
221.11903	0.9
239.12929	100.0
239.16365	5.5
241.14445	1.5
280.03421	0.7
460.16339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3206
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
50.59647	0.3
57.03455	28.3
59.01387	3.0
60.99318	0.3
61.18378	0.3
74.36993	0.3
83.05026	0.4
92.10145	0.8
97.06589	14.6
97.07195	0.6
108.61073	0.3
125.09724	8.3
127.25122	0.4
137.09731	2.5
137.10698	0.3
149.09653	0.4
175.07692	0.3
189.16492	5.7
191.14427	8.5
207.17569	100.0
208.17889	0.9
209.91998	0.4
225.18607	0.5
233.15500	12.7
251.16559	12.3
257.11630	0.6
273.14771	22.4
507.31021	0.8
525.32080	47.2
526.32330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32064	0.5
60.99308	19.3
65.00340	2.5
82.11469	0.4
83.01369	0.6
86.72673	0.5
88.98803	100.0
92.10857	0.6
102.17918	0.5
107.01402	2.1
125.02451	1.1
150.03226	1.3
151.00389	10.3
151.04015	2.7
152.01160	0.9
178.99837	1.0
285.04041	7.0
303.05319	1.3
337.63678	0.5
435.09372	6.7
494.80569	0.5
521.55182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.6
59.01390	14.5
60.36654	0.5
61.95464	0.6
71.01385	5.0
73.02975	0.7
76.45343	0.7
81.03474	2.9
83.01403	6.1
83.05042	1.2
85.02948	3.7
89.02441	7.3
95.01334	0.6
95.05042	1.5
96.96037	1.3
97.02952	10.5
99.00856	1.4
99.04517	1.0
101.02443	8.8
111.04505	2.7
113.02456	2.6
119.03511	2.2
121.06541	0.6
124.22411	0.7
125.02453	3.0
127.00349	3.2
133.06642	2.1
135.08192	1.1
139.04062	0.9
141.01891	1.2
142.43983	0.6
145.01434	2.9
149.09731	0.9
151.03976	0.8
151.07652	4.8
153.05685	0.7
157.10213	1.4
161.02429	2.3
161.06053	1.1
161.09714	1.0
163.07687	1.2
169.01407	8.6
175.07758	0.8
175.11292	6.7
177.09225	0.7
179.05678	2.2
179.07127	3.6
181.08621	1.4
185.09695	4.4
187.02509	1.1
187.07675	0.9
188.08383	0.7
193.12341	2.3
203.10857	4.8
205.08626	0.8
219.10248	1.1
221.11835	0.7
229.08702	1.1
231.06577	0.8
247.09740	4.8
265.10782	4.2
283.11771	0.9
291.08722	3.0
309.09836	5.2
327.10901	100.0
354.23547	0.7
369.11859	4.3
429.13895	4.4
489.16232	13.9
519.20850	0.6
525.13635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1751
Annotation	Physalin F
Peak:m/z	Relative Intensity
50.27474	1.6
55.01891	2.7
59.01385	35.6
61.98844	20.6
63.99247	2.9
67.67755	1.7
71.01382	20.6
73.02968	4.2
73.67648	1.9
77.34759	1.9
83.01413	2.1
85.02956	10.0
87.00880	3.1
89.02437	14.2
92.10804	1.9
93.84865	1.9
95.01386	2.1
96.96000	4.6
99.00846	2.5
101.02454	20.4
108.02151	2.3
113.02435	10.3
114.39288	2.1
116.92824	2.6
121.02966	3.6
123.04563	3.1
145.53880	2.4
146.51540	2.0
161.04547	6.9
333.15527	15.9
357.15677	3.0
465.24033	6.7
489.19797	2.2
525.17499	100.0
525.29193	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22214	38.2
53.10767	36.0
53.44026	39.4
58.57493	33.1
58.77398	38.0
59.01392	44.2
61.30425	34.2
63.91549	33.2
65.31113	38.6
71.19591	35.5
83.05032	58.7
92.10074	77.8
96.72652	37.9
114.99986	39.8
123.08168	100.0
133.82550	50.6
142.85292	58.0
225.53647	44.9
295.66180	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83138	0.6
57.03467	2.8
58.68513	0.6
59.01387	100.0
61.98839	5.2
65.03971	0.6
71.05035	1.1
79.20267	0.5
83.05048	3.7
85.02981	0.8
87.00934	0.8
97.02985	0.9
97.06620	1.0
99.04498	0.9
109.02930	0.7
123.04627	0.8
123.08206	3.2
139.07600	0.8
149.05984	0.8
151.11327	0.9
160.86581	0.7
163.11298	0.9
165.12894	0.8
177.13000	0.8
191.14458	1.5
193.12338	1.0
205.16025	1.0
209.11850	3.3
209.15518	3.9
217.00426	0.7
217.15993	0.8
226.64934	0.6
233.15392	0.8
235.17149	1.1
253.14482	2.2
253.18109	7.2
297.17255	0.9
318.99347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
57.03460	2.9
59.01385	100.0
59.31098	0.7
61.98851	0.9
66.83440	0.7
71.01381	16.4
73.02944	5.6
83.01401	1.6
83.05048	0.8
85.02956	9.9
87.00948	1.1
89.02454	1.6
95.01376	1.4
98.12543	0.7
99.00887	1.4
101.02447	13.3
113.02431	6.4
114.80701	0.7
133.91663	0.7
139.11153	1.0
161.04472	5.8
179.14354	1.0
236.58125	0.9
239.16487	3.1
253.14415	1.6
255.15939	1.7
285.89539	0.8
299.25800	0.7
331.21304	0.9
350.42331	1.0
360.57062	0.8
380.50293	0.8
463.26364	1.7
463.32877	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83187	0.7
55.01896	1.1
57.03465	3.4
59.01386	100.0
61.98837	1.0
69.03481	0.7
71.01376	12.5
71.05032	0.7
73.02940	5.8
83.01417	2.6
83.05032	1.1
84.74403	0.5
85.02944	7.5
87.00853	0.6
89.02467	1.3
95.01371	1.1
96.96033	1.0
97.37330	0.5
99.00901	3.2
101.02447	11.3
111.00890	0.6
113.02458	5.7
113.80834	0.6
114.65925	0.5
119.03539	0.7
137.09746	0.8
152.16118	0.5
159.02972	1.2
161.04591	6.3
253.14491	1.1
255.16144	0.7
267.16180	0.7
269.17493	0.8
301.27487	1.0
331.21188	1.1
420.25195	0.6
463.32840	41.8
470.18146	0.6
472.08231	0.6
523.32971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	5.2
57.03453	5.4
59.01383	85.1
69.03469	1.3
71.01382	100.0
72.99331	2.1
73.02942	29.0
75.00874	1.6
83.01399	12.9
85.02956	51.5
87.00876	4.6
89.02457	9.2
95.01397	8.4
95.91016	1.0
96.96008	6.9
97.02944	2.0
99.00879	13.2
101.02437	64.2
113.02451	40.1
125.02436	2.5
129.01889	1.4
129.54410	1.0
131.03510	18.4
143.03525	4.5
149.04434	1.1
159.02975	11.8
161.04562	63.3
163.04099	1.4
191.05597	2.6
205.03558	1.9
325.09052	1.2
331.17682	99.3
391.10043	1.2
463.21939	79.6
505.31436	1.1
523.24414	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67424	0.9
54.13209	1.0
54.27686	1.1
54.90614	1.1
55.01888	5.8
57.03458	5.6
57.14026	1.2
57.97672	1.1
59.01385	78.3
61.30604	1.0
69.03441	1.0
71.01379	100.0
72.99327	1.8
73.02944	33.6
83.01387	12.6
85.02948	45.1
85.03448	1.8
87.00883	2.6
87.41863	1.2
89.02454	12.3
95.01411	6.8
96.96025	7.4
97.02947	2.2
99.00882	11.3
101.02436	63.1
113.02448	42.0
117.97276	1.8
119.03519	1.4
119.05013	2.2
125.02444	5.0
129.01973	1.5
131.03494	21.7
143.03519	2.5
159.02975	10.9
161.04568	65.7
163.04021	2.5
179.67517	1.4
191.05656	2.8
205.03532	1.9
293.08490	1.2
331.17667	92.8
336.28610	1.4
375.16711	1.6
463.21957	72.2
523.18152	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	523.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82986	15.9
60.62395	12.8
61.23043	14.6
72.98739	15.4
90.58564	17.7
128.64320	18.4
225.62393	16.7
255.23277	100.0
265.00656	22.3
266.36472	19.8
320.47729	16.7
527.46362	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	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82626	0.3
55.01890	0.6
57.76347	0.3
58.26876	0.4
59.01388	7.1
71.01390	6.4
73.02966	0.8
85.02981	2.2
89.01984	0.3
89.02428	2.8
93.03485	1.5
95.01390	0.4
99.00871	0.4
101.02436	4.3
103.07324	0.4
108.02189	0.6
109.02971	6.5
113.02478	2.1
121.02959	23.7
122.03738	21.1
123.04561	3.1
124.01668	1.4
129.03455	1.6
134.03734	0.8
135.04549	2.0
136.05305	2.2
137.02454	1.9
146.03780	1.5
147.04535	10.7
148.05348	0.7
149.06070	2.1
154.02702	2.5
160.05304	0.5
161.04556	1.5
161.06100	2.5
162.06892	0.7
164.04826	0.5
165.05577	33.9
175.07750	0.5
178.06314	0.8
179.07143	12.0
191.07146	0.5
209.08264	0.6
223.01181	0.4
223.09778	0.8
234.47644	0.4
285.11557	0.4
298.12161	0.6
301.10791	0.4
304.68539	0.5
313.14517	1.9
315.12256	3.9
316.13083	0.6
331.17792	7.5
344.12796	0.4
346.14270	13.0
361.16614	100.0
362.16953	1.6
456.85910	0.4
463.22034	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03460	3.8
58.00613	0.6
58.96067	0.3
59.01387	37.7
69.03463	1.1
71.01385	17.2
71.05022	0.4
72.99307	0.8
73.02960	2.7
74.42287	0.4
76.57949	0.4
81.03490	0.5
83.01403	0.7
85.02962	3.0
87.00930	0.4
89.02444	19.1
94.22062	0.4
95.01379	0.6
96.96027	0.8
97.02953	1.1
99.00872	1.1
101.02451	6.8
113.02460	3.2
118.84155	0.4
119.03469	0.7
125.02452	9.6
131.03511	11.5
139.11308	9.8
143.03516	0.7
146.92937	0.5
149.04570	7.1
151.11299	1.0
169.12357	100.0
180.21806	0.5
191.05663	4.4
191.14493	0.8
207.14017	0.7
227.14207	0.5
251.12962	0.9
252.13437	0.5
253.14529	8.0
293.08810	9.0
367.69507	0.5
463.21802	3.2
477.30829	0.5
493.22916	0.5
498.69876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.3
55.80861	0.5
57.03453	4.6
58.00607	0.9
59.01389	90.4
69.03455	1.1
71.01385	68.6
72.99341	2.2
73.02947	22.8
75.00905	0.7
83.01392	11.3
85.02951	33.2
87.00893	2.7
89.02443	18.8
95.01405	4.7
97.02982	1.0
99.00878	10.1
101.02441	59.4
111.00903	0.9
112.69606	0.5
113.02454	32.2
119.03529	2.8
125.02493	4.9
129.01994	1.0
131.03513	15.5
137.09727	1.0
143.03500	5.9
145.03598	0.6
155.10812	13.1
159.03008	8.1
161.04565	33.9
179.05708	0.8
199.09782	9.7
244.18980	0.7
331.17679	100.0
332.18140	0.9
361.15308	1.0
382.77567	0.7
463.21924	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42394	0.4
53.84938	0.4
54.36746	0.5
58.73900	0.5
59.01394	3.3
67.98154	0.5
71.01385	3.3
73.02963	1.0
85.02970	1.1
101.02454	2.4
109.20995	0.6
113.02460	0.8
121.02985	2.4
122.03762	5.6
123.04512	0.8
134.03731	0.5
135.04539	22.3
137.02486	0.9
138.03067	0.6
147.04550	0.9
147.84106	0.5
149.06100	6.3
150.03300	0.7
151.04047	1.2
161.06091	7.9
163.04028	5.7
164.04796	0.8
166.02774	0.9
166.06331	2.2
167.07147	3.4
175.07718	0.8
176.04829	0.6
179.03529	1.0
179.07121	7.8
180.07939	58.7
181.05045	0.8
181.08453	0.8
182.05852	3.0
190.06456	2.3
191.07182	2.4
192.07941	11.1
193.04997	0.7
193.08693	7.5
194.05849	9.7
194.09550	0.8
195.06656	5.9
195.10234	0.9
209.08302	1.8
212.06924	7.5
226.08488	3.6
254.05891	1.0
284.10605	0.7
285.11234	0.9
296.10779	0.6
297.11514	4.0
299.12939	0.6
303.58942	0.6
313.10867	9.4
316.13324	6.6
328.13281	11.1
331.15347	19.6
343.15536	12.2
346.14218	0.6
361.16635	100.0
362.17020	0.7
378.50891	0.6
463.21967	4.6
473.38000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	5.8
57.03471	3.5
58.00601	1.3
59.01390	100.0
71.01383	51.5
71.88683	1.3
72.99320	2.0
73.02948	16.4
83.01405	7.0
85.02952	29.3
87.00879	2.3
88.98808	3.4
89.02442	16.5
92.10854	1.5
95.01377	3.0
96.96020	2.6
99.00883	9.7
101.02431	33.0
109.02956	3.4
113.02460	18.9
114.86667	1.4
119.03529	1.7
121.02979	11.5
122.03744	15.1
123.04555	2.2
125.02444	1.6
131.03496	22.0
135.04533	2.1
147.04503	9.0
159.03020	2.5
161.04587	18.9
161.05949	2.6
165.05539	22.3
179.07184	5.9
209.48590	1.5
257.37967	1.4
263.07657	1.4
300.02744	1.9
314.59311	1.6
331.17661	36.8
339.99936	1.7
343.15524	2.7
346.14236	7.1
361.16632	56.1
463.21732	32.0
523.21912	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50983	0.2
59.01393	100.0
59.07882	0.3
61.98836	0.3
66.13638	0.3
71.01406	1.7
72.55650	0.2
73.02988	0.3
78.03318	0.3
79.67804	0.2
85.02972	0.6
89.02458	0.5
101.02422	1.7
119.03542	0.4
128.74522	0.3
139.91908	0.3
161.04474	0.3
166.69722	0.3
331.17630	1.6
342.63470	0.3
343.11127	0.4
463.21988	0.5
523.23779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26023	1.2
54.65610	0.9
55.28266	0.9
57.03480	1.6
57.29053	1.1
59.01394	13.2
64.34866	1.1
68.40617	1.1
71.01392	60.4
72.99315	26.8
80.25166	1.1
84.67903	1.1
85.02959	1.1
87.00884	28.9
96.96018	100.0
101.06104	1.3
115.00378	14.8
129.01958	2.8
131.73184	1.1
147.03009	47.7
147.04097	2.3
147.06683	2.1
165.05643	1.3
191.05669	4.3
195.06598	1.3
338.93567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.5
57.03460	1.8
58.00602	0.7
59.01390	36.5
71.01390	25.4
72.99309	1.5
73.02953	6.5
74.98055	0.8
83.01409	5.3
85.02962	12.8
87.00884	3.5
88.98817	1.4
89.02452	9.5
89.68700	0.8
93.03459	1.3
95.01364	1.6
96.96014	10.9
98.60381	0.8
99.00892	1.7
101.02451	14.7
109.02993	5.8
113.02466	6.5
119.03493	4.8
121.02963	19.3
122.02879	1.2
122.03737	20.4
122.85059	0.7
123.04531	4.0
124.01702	0.9
131.03397	0.9
134.03702	1.1
135.04488	3.1
136.05315	1.2
137.02405	1.8
147.04526	8.4
149.06163	1.0
154.02731	1.9
161.04608	1.4
161.06099	3.6
162.06783	1.5
164.49948	0.8
165.05583	31.2
175.07582	1.4
179.07166	8.6
179.32474	0.8
180.07893	1.7
191.07205	1.4
209.08319	1.0
209.11897	7.0
253.09073	1.4
298.12192	1.1
300.02640	0.8
302.54575	0.8
313.14484	1.7
315.12338	1.1
328.13214	1.8
331.17670	4.7
343.15558	4.6
346.14249	10.5
347.14804	1.5
361.12030	1.9
361.16571	77.1
463.22165	7.2
523.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
55.63640	0.6
57.03463	3.8
59.01379	21.5
61.98838	1.2
66.06335	0.5
69.03488	0.5
71.01380	5.7
73.02964	2.5
80.53207	0.6
83.01395	0.8
83.05029	0.7
85.02961	3.4
85.06613	0.6
89.02444	1.3
94.16772	0.6
95.04997	2.4
96.96007	1.0
97.02956	0.9
97.06584	0.8
99.00866	0.7
101.02445	4.0
109.06610	1.2
110.81633	0.6
111.04458	0.6
113.02456	3.8
113.06165	0.7
121.02975	0.7
123.04496	0.6
133.06642	0.8
137.09723	1.4
148.05292	0.6
149.06113	2.7
149.09778	1.3
151.11256	2.5
157.21230	0.6
161.04562	1.1
165.09145	0.7
177.12941	0.7
189.12840	5.0
191.05563	0.7
192.07793	0.7
205.15959	0.8
207.13947	4.5
233.11722	2.0
234.36002	0.6
237.10985	1.0
249.25714	0.7
251.12894	19.6
251.16534	100.0
252.16905	0.9
267.16013	7.6
299.19058	0.7
329.19742	3.6
359.15121	1.4
359.28058	19.1
377.25146	0.6
461.23993	0.8
461.31226	1.3
479.32370	1.2
521.33472	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54345	6.8
53.07249	6.7
55.13979	7.8
59.01381	100.0
59.29366	7.0
60.41191	7.1
67.04172	7.3
67.23451	7.4
71.01382	62.2
73.02956	15.0
75.45071	8.0
75.52604	8.8
85.02923	9.3
89.02448	39.9
89.93088	8.3
92.10094	9.9
98.14510	9.1
101.02440	34.2
113.02483	11.6
125.02372	10.5
131.03517	8.9
163.03998	9.1
247.13371	10.0
293.08768	46.9
301.20068	10.8
308.03897	8.5
331.17679	47.3
400.60587	9.8
463.21420	16.0
523.16272	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	521.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.6
59.01387	9.1
60.19283	0.4
60.99321	0.8
61.22506	0.3
61.98831	0.8
64.34659	0.4
67.26572	0.4
69.03468	1.1
70.24320	0.5
71.01401	0.9
71.05025	0.4
73.53687	0.4
83.05035	0.9
84.48107	0.4
85.02995	0.7
88.98809	4.6
95.05008	0.5
96.96024	0.9
97.02964	0.6
101.02427	0.8
105.14618	0.4
106.48487	0.5
109.06628	0.6
121.02916	0.7
123.08131	0.5
125.09725	3.2
137.09758	0.5
139.11275	0.6
153.09203	0.4
191.14453	1.0
207.13922	2.9
207.17508	3.0
233.15508	0.7
251.12936	6.9
251.16544	100.0
252.16948	3.0
253.14389	0.6
267.16019	1.8
351.38293	0.5
359.18512	1.0
377.72125	0.5
461.31015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03450	13.2
58.11475	0.4
59.01384	12.4
61.98857	0.6
64.29554	0.4
69.03468	2.9
71.01398	0.4
71.05020	0.6
73.02931	0.5
76.60319	0.5
81.03465	0.6
82.95436	0.5
83.05032	2.6
83.40984	0.4
84.71508	0.4
85.02972	0.5
92.65350	0.4
97.02967	0.5
97.06638	0.5
99.04509	0.9
100.66409	0.5
107.05072	0.6
111.08195	0.7
121.06682	0.4
123.08160	1.7
129.24529	0.4
129.84955	0.4
134.22826	0.5
135.08099	0.6
151.11295	1.0
167.10796	0.5
189.12859	0.8
191.10803	0.7
191.14430	25.8
207.17523	6.3
233.15483	12.9
251.16554	100.0
252.16864	0.6
303.46414	0.5
343.77765	0.5
370.43729	0.5
408.80084	0.5
412.47247	0.5
516.44940	0.5
521.34442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83287	0.2
57.03463	0.4
59.01388	1.8
61.98842	0.3
62.73603	0.2
69.03476	0.3
71.04990	0.2
75.00891	0.2
75.08271	0.2
77.54012	0.1
83.05040	0.7
85.02958	0.2
87.04532	0.2
95.05040	0.2
99.04519	0.3
101.06042	0.2
109.06593	0.3
111.08213	0.2
119.82321	0.2
119.83297	0.2
121.02946	0.2
125.06081	0.2
137.09715	0.2
138.87285	0.2
139.11267	0.3
149.09766	0.3
151.11325	0.3
167.10770	0.2
195.10371	0.6
205.15977	1.2
207.17589	0.2
209.15491	7.6
209.17462	0.3
223.17065	8.8
224.17413	1.1
249.15042	0.3
251.16556	100.0
252.16901	3.9
253.14470	2.2
253.17162	1.8
266.23065	0.2
267.16031	6.1
268.16412	0.7
269.17554	1.1
390.61490	0.2
392.60068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03452	11.6
58.00583	0.6
59.01105	1.0
59.01385	21.5
60.92916	0.5
61.98840	2.0
62.21412	0.4
69.03465	2.2
71.01385	10.7
71.05015	5.1
73.02926	3.6
81.03452	1.1
83.05046	1.2
84.00404	0.4
85.02941	3.8
85.06571	0.7
87.00910	0.7
87.04544	0.4
89.02441	11.4
93.03456	0.7
95.05025	4.6
96.96011	2.6
97.02934	0.6
97.06593	2.3
99.00914	0.6
101.02420	5.7
107.05039	2.0
109.06624	0.9
112.19746	0.5
113.02457	2.5
119.03431	0.9
121.02966	2.3
123.08166	0.7
125.02463	2.2
131.03505	5.3
135.08179	0.6
137.02444	0.5
137.09727	0.6
147.08214	0.5
149.04565	3.2
151.11293	0.9
153.12886	0.6
165.12866	1.0
167.10776	10.5
177.12952	0.7
191.05621	2.2
203.14453	3.3
205.12434	1.2
205.16019	16.4
207.13940	3.5
223.13513	0.8
223.17027	2.6
227.07265	0.8
249.14972	0.8
253.14433	2.1
267.16046	100.0
268.16327	0.9
293.08832	1.1
343.15402	0.8
359.24542	0.7
461.24609	0.7
521.33203	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.0
57.45244	1.0
58.00606	1.4
59.01384	43.5
61.98837	3.0
62.37304	0.9
71.01379	25.3
71.05038	6.3
72.99313	2.6
73.02949	4.8
74.16985	1.4
75.00891	1.8
75.73892	1.3
79.46553	1.1
79.80305	1.1
81.03465	1.4
81.17467	1.1
85.02954	10.0
85.28307	1.2
87.00905	1.2
89.02448	24.7
93.03448	1.5
95.05040	3.0
96.96030	15.1
97.06615	1.4
99.00916	1.4
101.02447	14.1
107.05006	1.3
113.02458	5.1
121.02928	6.7
125.02468	5.2
128.70496	1.2
131.03510	5.4
137.02390	1.5
137.09708	2.2
145.02937	1.5
149.04588	8.6
161.04579	1.3
165.38383	1.4
167.10756	19.8
177.12881	1.3
189.12900	2.7
191.05659	2.8
191.14371	2.1
205.15967	15.4
207.14027	2.6
216.24005	1.3
223.17114	1.9
227.07141	1.8
242.55319	1.3
251.12941	1.4
253.14415	6.9
261.63312	1.2
267.16025	100.0
293.08817	3.0
315.18256	2.6
359.24362	4.7
359.28165	1.5
461.24030	2.9
479.43066	1.4
500.27710	1.4
521.33575	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	521.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30111	0.6
52.96266	0.6
55.65388	0.8
56.99718	0.6
57.03444	0.9
58.00597	64.8
59.01384	4.3
62.38889	0.7
72.99286	0.9
73.02952	7.9
78.86604	0.8
83.79593	0.7
88.60323	0.7
121.06568	3.7
134.98978	0.7
143.81841	0.8
149.09711	4.5
158.07317	4.0
187.15051	1.4
189.12756	1.1
190.06358	4.1
191.14481	1.0
193.15875	1.1
201.12854	3.4
203.14363	1.2
205.15981	33.8
208.07469	1.0
219.13857	1.1
221.15504	1.1
223.17064	100.0
224.17575	0.9
249.14920	1.7
251.16409	1.9
267.16037	68.7
267.35645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90412	0.3
57.03455	9.0
59.01101	0.5
59.01386	7.6
61.98838	0.7
69.03461	0.7
71.01388	0.8
71.05041	0.4
79.56824	0.3
83.05042	0.5
85.02997	0.6
85.06631	0.5
88.98822	1.9
95.04995	0.3
97.02982	0.5
97.06585	0.4
99.04506	0.6
101.02473	0.5
111.08174	0.4
121.02917	0.3
121.17416	0.3
123.08180	0.4
125.09741	2.5
130.18143	0.3
130.52333	0.3
137.09731	0.4
139.11276	0.4
151.11313	0.3
163.11285	0.4
167.10822	0.6
177.12903	0.7
191.14471	1.4
207.13948	5.5
207.17462	3.3
209.15530	0.5
233.15494	0.4
251.12933	14.5
251.16556	100.0
252.16893	0.8
253.14467	0.4
267.16043	1.3
359.18631	1.2
461.31070	0.6
521.32605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42838	0.8
53.74718	0.7
54.82750	0.9
55.01889	3.3
57.03459	8.1
58.00588	1.3
59.01387	100.0
66.52596	0.8
71.01385	51.6
72.99318	1.9
73.02946	19.8
75.00876	4.2
76.57841	0.9
76.67337	0.8
81.03455	0.8
83.01408	5.2
85.02960	15.8
87.00900	1.8
89.02454	50.2
93.07114	1.9
95.01392	1.8
95.15829	0.8
96.96020	12.1
96.96946	1.2
97.02974	1.5
99.00900	1.0
101.02454	29.3
108.02182	1.0
111.00925	1.1
113.02466	17.3
119.03510	12.4
121.02979	1.1
122.78381	0.9
125.02445	4.0
128.18237	0.8
131.03503	11.8
143.03508	1.9
146.28371	0.9
149.04565	8.1
161.04541	5.3
167.10791	72.2
171.13910	10.9
179.05688	6.5
191.05608	3.6
205.16060	1.2
267.16113	9.1
293.08798	8.4
333.19064	1.4
359.28079	10.9
461.20248	3.7
521.33386	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.8
59.01382	5.4
61.98836	1.0
66.83694	0.4
69.03477	0.9
71.01398	1.0
71.05032	0.5
73.02975	0.6
83.05078	0.9
85.02980	0.4
85.06618	0.8
90.76645	0.4
92.10737	0.8
95.05029	0.8
96.96058	0.5
97.02962	0.6
97.06595	0.7
108.02188	0.8
109.02984	1.0
109.06616	4.3
111.08185	2.0
121.02937	0.5
122.03711	0.5
123.04512	0.9
125.06115	0.5
125.09750	0.6
127.07645	4.4
137.02454	1.6
139.04021	0.6
139.07625	0.5
139.11423	0.7
141.90742	0.5
149.06255	0.5
149.13374	0.6
151.04033	0.4
154.53407	0.4
162.83307	0.5
163.11313	0.6
165.12886	0.6
186.79057	0.5
189.12859	0.5
191.14450	6.1
205.16005	2.9
207.13905	0.8
207.17656	1.9
209.15547	0.9
221.15337	0.5
227.10805	0.6
235.13351	0.6
237.15001	0.8
250.15192	0.7
251.16565	100.0
252.16908	2.0
253.14490	5.7
267.16049	13.9
269.17819	0.6
301.14569	1.8
329.14050	5.1
330.75140	0.5
344.16415	4.7
359.18680	9.8
362.06216	0.4
467.89481	0.5
522.82031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40594	0.4
57.03454	9.8
59.01376	9.8
60.99319	0.9
61.98829	0.7
65.29177	0.4
69.03455	0.8
71.01392	0.8
71.05013	0.4
71.62463	0.5
73.02940	0.8
82.95421	0.6
83.01384	0.6
83.05038	0.9
85.02976	0.6
85.06593	0.9
88.98815	6.3
92.10188	1.1
95.05038	0.7
95.90738	0.4
96.96040	0.6
97.02940	0.5
97.06596	0.6
99.04516	0.5
101.02453	0.5
109.02921	0.5
111.04506	0.6
121.02935	0.5
123.08195	0.9
125.09723	3.2
131.79182	0.5
133.21992	0.5
143.53790	0.5
148.54932	0.5
151.11317	0.6
157.85158	0.6
161.09679	0.7
173.90317	0.4
191.14372	1.1
207.13893	2.8
207.17624	3.2
233.15456	0.6
251.12897	7.5
251.16541	100.0
252.16917	2.4
253.14391	0.7
253.17130	0.7
267.16052	2.3
359.18607	2.0
461.31094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03454	1.8
59.01382	4.9
61.98820	0.6
71.01387	2.4
71.05046	0.6
73.02955	1.6
81.03437	0.5
83.05043	1.8
85.02972	2.1
89.02391	0.4
93.03428	0.6
95.05033	0.4
97.06557	0.6
99.05637	0.4
101.02460	0.6
108.02177	0.7
109.02950	11.0
113.02458	0.8
121.02956	7.3
122.03752	6.0
123.04547	3.4
123.08139	0.9
124.01659	5.9
125.02442	1.9
135.04523	2.1
136.01598	0.5
137.02437	15.0
138.03236	3.7
139.04030	10.4
149.06096	4.8
151.04002	3.8
152.04805	3.6
153.01894	0.5
153.05611	0.8
154.02765	0.5
158.86797	0.4
161.04538	0.5
163.07652	2.3
164.04816	2.2
167.10896	0.4
177.09303	0.8
179.07146	0.5
184.03702	0.6
189.09348	0.4
192.07954	0.8
204.07759	0.4
205.15933	0.6
214.10014	0.5
235.13347	0.5
238.27411	0.5
251.16495	2.6
253.14549	1.6
267.16083	6.7
273.14807	0.5
301.14471	9.3
311.12869	0.6
329.14001	53.8
330.14447	0.8
343.15540	0.6
344.16327	49.5
345.16855	0.6
359.18695	100.0
360.19037	2.6
388.23462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49058	0.3
55.01880	0.6
57.03456	1.5
59.01385	29.0
60.35004	0.3
61.98835	0.5
69.03455	0.6
71.01378	12.6
71.05998	0.3
73.02956	3.0
75.00883	1.8
81.03453	0.4
83.01404	2.0
83.18071	0.3
85.02956	3.3
87.00880	0.5
88.98782	0.3
89.02440	12.3
95.01405	0.5
95.05045	0.4
96.96001	0.5
97.02935	0.4
99.00896	1.8
99.04510	0.6
101.02457	7.2
113.02460	3.9
121.02896	0.6
122.03755	1.6
123.08179	0.5
125.02425	4.4
126.85751	0.4
131.03519	9.8
149.04575	6.0
151.04004	0.4
153.02002	0.4
167.10788	100.0
171.14029	0.4
181.12407	0.6
191.05676	3.8
205.63318	0.4
223.13504	0.7
223.17111	0.9
233.06625	0.4
267.12418	0.5
267.16043	4.2
273.11395	2.3
293.08899	7.0
359.14984	0.5
461.20114	5.7
521.26434	0.6
521.33411	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	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.56319	0.3
57.03445	0.4
58.00595	0.7
59.01384	54.6
59.98528	0.7
60.51224	0.3
61.98862	0.4
63.40625	0.3
64.99118	0.3
69.03477	0.8
71.01379	22.4
72.99310	0.8
73.02943	3.0
78.66399	0.3
81.03457	0.7
83.01399	1.5
85.02937	4.2
89.02441	26.2
96.96003	2.8
97.02965	2.1
98.03736	0.9
99.00882	1.5
99.04528	1.9
101.02435	9.4
113.02438	3.8
119.03542	0.8
125.02451	9.6
131.03502	12.7
143.03502	0.9
148.04465	0.4
149.04559	10.7
161.04636	0.6
163.66240	0.3
167.10780	100.0
191.05653	6.1
191.10771	0.8
201.14949	0.6
233.06734	0.8
251.16527	0.8
267.16025	0.8
273.84161	0.4
293.08810	10.8
359.28082	1.7
461.20273	3.1
498.58527	0.4
521.33649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28448	0.7
57.03460	3.6
58.93482	0.8
59.01372	8.0
61.98859	1.2
69.03453	1.4
71.01398	4.7
73.02966	1.1
74.27216	0.8
77.35084	0.7
82.95451	0.8
83.05002	2.7
85.02967	1.2
91.30178	0.9
95.05022	1.8
98.03739	1.0
99.04429	1.4
101.02448	1.5
104.37274	0.9
109.02943	14.8
109.06608	4.7
111.08165	4.5
113.02446	1.1
121.02922	8.5
122.03708	7.4
123.04517	4.0
123.22916	0.8
124.01661	7.1
125.02506	0.9
125.06090	0.8
127.07636	9.3
135.04555	1.4
137.02431	15.0
137.09735	1.2
138.03215	3.3
139.03998	11.7
139.07619	0.9
139.11273	1.8
146.04999	0.9
149.06068	5.6
151.04018	4.3
151.11284	5.4
152.04796	1.2
153.05594	1.7
161.04514	1.0
162.94467	0.9
163.07671	1.7
163.11337	0.9
165.12833	1.3
167.14377	6.1
173.13383	0.8
179.07120	1.2
191.14381	7.8
195.13905	1.9
204.07954	1.0
205.16005	1.4
207.13913	4.0
209.15433	1.6
211.13347	6.1
239.12849	4.0
251.16519	75.5
253.14450	9.5
267.09216	9.9
267.15982	15.6
269.17557	6.6
280.90100	1.0
281.10648	1.5
301.14444	8.1
309.10126	7.0
329.10995	0.8
329.13925	52.3
344.16269	52.8
359.18640	100.0
360.18976	1.8
409.00250	0.9
461.22174	6.9
521.24377	1.4
526.34937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29141	0.9
55.01888	1.8
56.72942	0.8
57.03453	1.9
58.00600	0.8
59.01385	100.0
71.01379	41.8
72.99322	1.2
73.02942	7.3
74.52525	0.9
74.71846	0.9
83.01392	3.6
84.95112	1.1
85.02959	10.7
86.00101	18.6
87.00889	5.1
88.98842	1.2
89.02446	35.4
95.01372	1.8
99.00906	4.4
101.02441	19.9
113.02460	14.5
119.03511	6.6
121.02984	4.0
122.03748	1.3
125.02459	5.5
131.03508	24.2
143.03529	1.8
147.04611	1.0
148.05257	1.4
149.02562	1.3
149.04581	12.0
150.03189	4.4
158.03726	1.9
159.03214	0.9
159.04529	7.1
160.05316	33.5
161.04538	8.5
161.06087	8.4
163.04080	2.0
164.04808	5.1
167.10847	1.1
173.06104	4.5
175.07666	27.7
177.05577	5.3
177.93323	1.1
178.06360	11.8
189.10796	1.0
191.05699	10.4
192.07938	2.2
193.08757	1.6
193.12354	4.5
202.23601	0.9
211.13496	2.0
221.06694	1.2
228.43634	1.0
239.12900	23.7
240.22488	1.0
273.28949	1.0
293.08807	4.7
312.17474	1.1
314.12021	1.5
329.13498	61.3
357.49423	1.0
359.11392	1.1
359.15405	4.4
374.14072	1.5
389.16238	1.8
461.20270	34.5
521.19824	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	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62310	0.8
54.82673	0.8
55.01900	1.6
57.03455	1.1
58.00589	1.1
59.01384	100.0
60.38250	1.0
61.50251	1.0
65.14380	0.8
66.43373	1.0
71.01383	38.9
73.02956	7.5
74.42450	0.9
83.01404	3.8
84.95159	1.5
85.02957	14.3
86.00103	18.6
87.00884	2.3
89.02441	35.0
95.01389	2.3
97.02971	1.3
99.00893	3.9
101.02450	24.8
113.02473	12.6
116.92850	1.6
119.03515	4.2
121.02937	2.4
125.02460	4.8
131.03499	21.6
143.03482	1.9
147.04483	1.2
148.05333	1.8
149.04576	9.8
150.03242	1.8
159.03101	1.3
159.04529	5.6
160.05299	17.1
161.04567	7.5
161.06071	4.1
163.04025	1.4
163.07739	1.2
163.10219	1.2
173.06012	1.3
175.07649	13.5
177.05602	1.7
178.06351	5.0
191.05696	7.8
191.07132	1.1
192.07835	1.6
193.08754	1.5
193.12338	1.1
211.13417	1.5
222.21123	1.0
239.12930	21.6
255.26270	1.0
293.08670	4.4
311.09705	1.1
314.11368	1.2
329.13892	25.7
329.16470	13.2
359.15140	4.8
389.16180	1.5
461.20334	28.9
493.92499	1.3
532.83203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48853	0.7
55.01887	1.3
57.03459	1.0
58.00618	1.1
59.01385	100.0
60.99321	4.5
64.81926	0.9
71.01382	42.0
71.01778	1.6
72.99326	3.8
73.02950	1.5
83.01389	1.1
85.02949	9.2
87.00851	3.1
88.98807	26.6
89.02447	50.5
91.05576	1.3
93.03465	0.9
95.01379	2.0
101.02443	22.8
106.99628	0.8
107.05039	11.6
113.02452	17.8
119.03503	21.3
121.02948	2.1
122.78513	0.9
131.03487	1.1
133.02940	1.1
134.03751	2.1
135.04527	44.3
143.03453	1.0
145.02948	1.9
146.03758	4.9
149.04662	1.6
149.06087	3.8
159.04530	2.1
160.05363	6.5
161.02431	1.9
161.04597	3.7
161.06041	2.0
164.04778	2.0
166.05106	1.0
173.06088	1.7
175.07658	4.0
178.06358	1.0
179.05627	8.0
179.07048	2.2
181.05064	1.1
189.05605	1.8
190.06371	1.9
195.06673	4.8
205.08676	1.6
224.04764	1.6
238.06412	1.7
239.10725	1.2
241.08769	1.1
255.10242	5.1
266.05750	1.4
269.11969	1.6
270.12769	1.1
281.08350	1.1
283.09805	26.8
295.09720	1.8
296.10516	4.4
297.11252	1.4
311.09348	48.4
311.12903	3.3
325.11008	4.8
326.11667	26.9
329.10373	2.0
329.14011	4.8
341.10471	2.0
341.14005	38.3
359.11472	6.5
359.15250	1.0
521.20313	21.6
521.27075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48853	0.7
55.01887	1.3
57.03459	1.0
58.00618	1.1
59.01385	100.0
60.99321	4.5
64.81926	0.9
71.01382	42.0
71.01778	1.6
72.99326	3.8
73.02950	1.5
83.01389	1.1
85.02949	9.2
87.00851	3.1
88.98807	26.6
89.02447	50.5
91.05576	1.3
93.03465	0.9
95.01379	2.0
101.02443	22.8
106.99628	0.8
107.05039	11.6
113.02452	17.8
119.03503	21.3
121.02948	2.1
122.78513	0.9
131.03487	1.1
133.02940	1.1
134.03751	2.1
135.04527	44.3
143.03453	1.0
145.02948	1.9
146.03758	4.9
149.04662	1.6
149.06087	3.8
159.04530	2.1
160.05363	6.5
161.02431	1.9
161.04597	3.7
161.06041	2.0
164.04778	2.0
166.05106	1.0
173.06088	1.7
175.07658	4.0
178.06358	1.0
179.05627	8.0
179.07048	2.2
181.05064	1.1
189.05605	1.8
190.06371	1.9
195.06673	4.8
205.08676	1.6
224.04764	1.6
238.06412	1.7
239.10725	1.2
241.08769	1.1
255.10242	5.1
266.05750	1.4
269.11969	1.6
270.12769	1.1
281.08350	1.1
283.09805	26.8
295.09720	1.8
296.10516	4.4
297.11252	1.4
311.09348	48.4
311.12903	3.3
325.11008	4.8
326.11667	26.9
329.10373	2.0
329.14011	4.8
341.10471	2.0
341.14005	38.3
359.11472	6.5
359.15250	1.0
521.20313	21.6
521.27075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83123	1.2
55.01880	1.7
57.03450	1.5
58.00597	1.0
59.01382	34.6
66.65089	0.9
71.01381	20.7
73.02950	6.8
76.99728	0.8
83.01394	3.6
85.02943	7.8
87.00874	3.4
89.02451	8.3
94.05141	0.9
95.01451	0.9
99.00897	0.9
101.02438	12.4
108.02198	0.8
109.02972	1.3
113.02475	4.7
119.03450	1.9
121.02972	9.4
135.89545	0.8
145.02901	1.9
146.03738	0.9
147.04550	4.1
159.04482	5.1
240.04340	1.6
253.08812	1.5
255.06641	4.3
263.07092	3.0
265.08777	1.9
266.05908	1.6
267.06644	1.6
267.10489	1.2
268.07376	5.4
269.08209	9.6
270.08960	1.8
280.07413	1.7
281.08194	18.3
282.08948	5.5
283.09714	10.9
288.50656	0.8
293.08197	3.6
294.08987	1.4
295.09717	5.3
296.10480	3.5
297.11337	1.4
299.09256	8.6
300.09952	3.5
302.07974	1.9
309.11069	1.4
311.09219	5.8
314.08014	3.3
314.11618	13.5
315.12372	7.2
326.11639	13.4
327.12198	8.4
329.13916	13.0
341.14087	9.8
343.11874	3.9
355.11942	4.5
385.14987	1.4
461.14462	2.0
473.14392	6.7
476.16891	13.0
488.16873	8.1
491.19305	100.0
492.19684	3.1
503.19330	73.7
504.19717	1.1
506.42657	1.0
506.50076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32972	0.3
54.39837	0.3
57.59680	0.3
58.02866	0.3
58.18705	0.3
58.92313	0.3
59.01390	0.8
60.96927	0.3
61.37236	0.3
61.98840	0.8
65.96723	0.3
71.01394	0.5
71.39053	0.3
83.01414	1.3
85.02973	0.4
98.31550	0.3
109.02976	4.3
111.77705	0.4
121.02938	0.8
122.03738	1.8
123.04559	3.7
125.02445	6.5
135.04544	1.7
136.05284	0.5
137.02454	26.8
138.03242	9.8
139.04028	4.3
149.06136	0.6
149.59329	0.4
151.04002	0.7
152.04807	1.5
161.06041	3.5
163.03972	2.5
165.05565	1.6
168.38010	0.4
173.06078	0.7
175.03972	0.5
177.05638	3.0
179.07126	0.7
189.05649	1.4
190.06352	3.1
191.07211	3.7
193.05087	0.7
205.05067	0.7
206.05849	3.6
207.06636	9.4
271.04300	0.5
313.10770	0.4
314.11429	0.4
315.12454	0.5
326.12161	0.4
327.12424	2.9
329.10373	11.0
329.14005	0.8
343.11642	0.6
344.12720	53.9
345.12973	0.5
359.15063	100.0
360.15329	0.8
396.10089	0.4
521.20483	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09317	0.9
55.01896	1.4
57.03476	1.2
58.00566	1.1
58.49302	0.8
59.01395	100.0
59.90910	0.9
63.40557	0.9
67.64247	1.0
71.01389	44.0
72.99323	1.3
73.02946	8.9
73.56074	1.0
79.85650	1.0
83.01411	5.0
84.95144	1.5
85.02966	16.3
86.00103	18.6
87.00900	6.5
88.23108	1.1
89.02448	39.1
92.10137	2.0
99.00906	5.5
101.02441	25.6
113.02454	13.1
113.06009	1.0
119.03526	5.7
121.02994	4.0
122.03755	1.3
125.02473	5.3
131.03505	25.5
136.05266	1.7
143.03493	1.9
143.05057	1.6
147.04523	2.0
149.02504	1.9
149.04552	11.6
150.03229	9.9
158.03769	1.6
159.03232	1.5
159.04530	12.4
160.05313	45.5
161.04550	10.0
161.06099	11.1
163.03992	6.9
164.04805	6.8
173.06094	6.1
174.06975	1.5
175.07666	38.2
177.05577	6.5
177.18896	1.1
178.06357	15.0
191.05609	9.4
192.07983	2.1
193.08707	4.5
193.12354	2.1
194.34070	1.1
211.13525	2.6
239.12898	25.2
268.45285	1.2
293.08792	5.5
294.52457	1.1
322.79669	1.1
329.13599	87.0
359.15088	5.2
389.15762	1.2
446.24057	1.1
459.34830	1.2
461.20370	33.2
521.19867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
54.33805	0.6
54.82553	0.6
56.26068	0.5
57.03449	5.0
59.01377	5.7
61.98822	2.4
63.86792	0.5
67.51866	0.6
71.01395	2.6
73.02965	0.9
77.22787	0.6
80.97493	0.7
81.98641	0.5
87.88091	0.6
89.02464	2.2
91.95475	0.6
93.70917	0.6
101.02434	0.7
109.02965	4.5
110.65919	0.6
113.02486	0.6
122.03726	1.5
123.04532	5.2
125.02436	5.5
129.91156	0.6
135.04532	1.1
137.02431	28.8
137.09679	5.1
138.03221	9.4
139.04001	2.9
152.04691	0.7
161.06049	2.4
163.04013	1.5
167.10754	3.2
177.05487	4.3
189.05507	2.8
190.06305	3.3
191.07138	3.0
203.07161	1.1
204.13815	0.6
205.04965	1.0
206.05832	3.3
207.06668	8.4
219.06610	1.0
281.40405	0.7
293.08698	1.0
301.10834	0.7
327.12430	3.7
329.10291	14.7
343.11911	1.4
344.12677	58.9
359.15015	100.0
521.19916	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	521.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65587	0.6
57.59190	0.5
59.01385	18.5
59.01650	0.9
60.30966	0.5
61.73644	0.6
65.15766	0.6
67.35850	0.6
71.01382	11.8
71.01732	0.8
71.05037	1.1
72.99310	4.8
73.02966	3.7
75.00872	41.3
81.03473	2.9
85.02971	3.0
87.00886	4.6
89.02444	13.1
96.71220	0.6
97.02971	0.7
99.00885	5.6
99.04566	1.0
101.02464	4.0
103.71442	0.6
113.02476	4.0
119.03504	3.1
143.03513	8.5
157.75696	0.6
161.04578	8.7
179.05620	100.0
257.35056	0.8
320.48520	0.8
341.10931	10.3
346.51089	0.7
364.18030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61160	1.0
57.03456	1.4
58.00602	4.6
59.01386	21.0
62.31926	1.0
68.56955	1.1
71.01379	12.4
73.02956	7.3
85.02969	4.5
87.00877	1.5
88.98795	1.6
89.02445	8.8
93.60298	1.0
99.00911	1.9
101.02456	5.1
111.55096	1.1
113.02435	4.3
113.49536	1.0
115.04041	1.7
118.06652	1.1
119.03532	1.3
122.06126	6.6
125.02448	2.1
131.03445	1.8
132.04558	2.4
137.53534	1.3
144.04547	5.6
146.06134	5.5
147.03342	1.5
149.04518	1.9
150.05602	2.6
153.09164	8.1
160.04076	5.0
161.04726	4.3
162.05630	2.1
172.04063	7.1
173.04781	1.7
174.05609	6.9
175.06371	1.3
176.07169	1.5
188.07181	1.8
189.23148	1.2
190.05083	4.4
191.05644	8.1
197.08209	4.4
200.38222	1.1
202.05109	2.3
203.05930	2.1
204.06729	18.6
206.47264	1.1
218.04565	1.5
223.08716	1.1
229.13509	2.1
230.04601	1.3
232.06146	2.4
237.10417	1.9
238.11093	2.6
239.11874	1.5
240.09042	1.3
241.09760	5.0
248.05624	8.2
251.11876	1.3
253.06186	2.0
253.13445	13.1
254.11946	2.0
255.11488	2.3
262.07074	5.2
263.07993	1.7
267.07788	5.5
267.11365	1.2
268.08618	2.3
269.12878	2.7
281.09332	8.4
282.10110	2.0
283.10846	2.5
295.10815	8.2
296.11737	2.2
297.12485	38.9
311.14017	4.4
323.10559	1.6
325.11954	7.8
325.70023	1.4
328.10553	2.7
329.15372	2.6
337.11984	1.7
341.11331	1.7
341.19791	1.4
353.11642	1.8
355.13010	57.4
367.13135	4.8
381.10791	2.5
387.15451	5.2
399.12009	20.9
401.13611	6.6
431.14642	100.0
443.14706	7.4
461.14954	8.1
467.14841	1.5
485.15817	4.2
503.16257	1.5
521.17871	48.1
521.25433	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	521.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91235	0.4
53.12490	0.3
59.01385	2.4
72.99311	23.9
73.02950	1.9
75.00873	0.7
81.07114	2.3
84.25185	0.4
84.43068	0.5
85.06625	0.6
92.66963	0.5
96.96005	2.7
99.08159	10.3
101.06104	0.5
101.67269	0.5
113.06100	3.2
115.07654	80.0
117.79224	0.5
125.06102	0.7
129.05582	48.0
131.44196	0.5
143.07141	27.1
149.25519	0.6
159.06628	3.7
161.08218	0.6
178.92752	0.5
197.83925	0.5
202.35175	0.6
205.07199	100.0
349.79300	0.5
369.96298	0.5
499.07019	0.5
531.01166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05028	0.4
59.01376	1.2
60.03685	0.4
60.80796	0.4
68.43610	0.4
69.31767	0.5
72.99293	21.4
72.99685	0.7
73.02947	0.7
75.00874	0.8
75.73740	0.4
81.07076	1.2
85.02970	0.6
85.06583	1.8
96.46568	0.4
96.95984	5.0
96.98815	0.5
97.06546	0.5
99.08131	10.0
101.06050	0.7
113.06085	2.6
115.07623	78.0
125.02382	0.5
125.06059	0.7
129.05548	44.1
143.07111	27.1
159.06577	3.8
161.08173	0.6
179.99174	0.5
205.07152	100.0
206.07520	0.7
280.76910	0.5
448.50919	0.5
455.87799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80753	1.0
54.83196	1.0
55.01882	2.5
55.92076	0.9
56.28963	0.9
56.33384	0.9
57.03453	1.8
58.00611	1.8
59.01387	100.0
60.00925	1.1
62.21994	1.1
63.57744	1.0
64.14146	1.0
69.03455	25.2
71.01383	81.6
72.01728	1.4
72.99302	5.1
73.02949	9.1
75.00924	1.4
79.01903	2.3
81.03465	5.2
83.01402	7.0
85.02960	15.4
87.00890	1.9
89.02443	87.2
90.02765	2.2
95.01434	2.2
96.96053	1.5
97.02942	18.1
99.00899	5.6
101.02438	20.2
107.01398	22.4
108.02194	6.9
109.02335	1.3
109.02972	11.5
113.02460	14.1
115.03993	2.8
119.03483	4.3
123.00901	2.8
125.02454	68.3
131.03479	11.9
132.04535	2.4
134.06142	1.7
135.00899	67.9
137.02492	2.0
143.03511	5.6
149.04584	17.3
150.05640	2.6
151.00410	2.2
152.01157	5.4
153.01953	12.1
159.04532	1.8
161.04567	2.7
166.02733	2.4
167.03514	47.1
177.01862	1.6
185.31360	1.1
191.05649	4.9
196.07352	1.2
197.08235	1.2
227.06320	1.2
233.06644	5.7
241.05067	2.0
255.06685	1.4
269.55127	1.5
279.11392	1.3
284.51837	1.2
293.08844	41.9
294.09155	7.6
299.08884	1.7
329.16220	5.2
344.12723	8.2
359.15042	18.1
429.10397	24.9
461.13928	1.3
461.20322	7.3
477.18604	2.5
496.59390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64768	1.0
59.01384	49.3
61.98834	94.0
71.01377	24.1
72.56531	1.2
75.74921	1.1
75.82763	1.3
85.02948	4.8
87.00900	1.7
89.02438	20.8
95.01404	1.5
96.96016	2.5
101.02435	14.7
113.02465	6.2
115.31168	1.3
116.92876	6.3
119.03506	6.8
123.08154	1.7
125.02380	1.6
140.55499	1.4
171.11769	3.3
189.12878	6.5
212.05371	1.3
216.57689	1.5
233.11783	1.8
265.15253	1.4
277.10867	2.8
299.13675	1.9
315.00104	1.4
457.17236	100.0
458.17926	1.6
460.19241	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51603	1.8
55.01869	2.1
57.03461	2.8
58.00595	2.0
59.01377	100.0
60.00898	27.3
60.01125	1.5
61.43814	1.8
67.14688	1.7
69.03460	3.9
71.01373	78.7
71.90712	2.0
72.34546	2.1
73.02956	4.6
75.49293	1.9
75.49734	2.1
75.78935	2.0
81.03470	3.9
83.01392	3.0
83.12476	2.1
85.02961	13.3
87.00870	2.7
89.02432	87.1
94.91602	2.2
96.96021	8.6
97.02972	4.3
99.00877	3.5
101.02418	17.6
109.22185	2.0
113.02462	10.8
116.92865	2.6
119.03492	3.0
119.04997	2.2
125.02428	39.6
131.03496	19.5
143.03503	7.7
149.04562	23.1
161.04492	2.8
166.05075	73.0
173.04585	4.3
179.10239	2.5
199.32430	2.3
224.69038	2.1
224.93042	2.2
233.06723	2.3
293.08795	57.0
358.12772	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82690	0.2
57.03462	0.5
58.46672	0.2
59.01376	0.6
59.24384	0.2
61.98829	0.7
66.24796	0.2
74.77912	0.2
91.30126	0.3
124.29626	0.3
127.51163	0.3
134.05325	0.3
151.11275	0.3
180.07121	0.3
195.10185	0.5
205.15985	2.1
223.17026	12.2
249.14946	1.1
251.16521	100.0
252.16820	1.1
267.16019	13.2
269.17572	0.3
366.24103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40179	3.2
57.03448	45.2
59.01381	68.3
59.39669	3.7
61.98822	30.3
69.03465	8.2
70.05118	3.7
72.82446	4.7
78.66297	4.9
79.12986	4.0
83.05026	9.4
85.02937	7.0
95.05064	5.8
96.95995	6.9
97.06607	19.1
99.04530	6.6
104.89618	4.5
109.06596	5.8
111.04482	4.5
121.06561	5.4
121.55300	4.6
123.08125	6.6
125.09737	5.7
125.87939	4.0
136.99722	4.3
149.09679	5.9
151.11272	4.7
163.07651	4.5
181.12445	4.8
191.14471	7.6
203.14430	5.8
207.06500	4.9
207.17595	100.0
221.15489	16.5
223.82669	5.3
247.07584	4.9
249.14978	10.6
251.16522	77.0
265.14417	7.0
267.15698	4.9
286.43887	4.6
362.55191	4.7
519.33380	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	519.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69906	0.7
54.82827	0.9
57.03462	49.3
59.01391	14.8
59.75163	0.7
61.98846	14.0
63.59868	0.8
69.03473	1.8
69.43364	0.7
71.01420	1.0
71.05034	3.4
73.02956	1.3
73.33694	0.8
74.22292	0.7
75.23974	0.8
76.57822	0.8
79.21482	0.8
81.07107	1.0
83.05038	3.9
85.02989	1.0
96.96014	1.3
99.04514	1.2
105.95361	0.9
109.06577	1.9
111.08168	1.4
123.04433	1.1
123.08155	1.6
153.12944	6.1
161.09692	1.4
171.44830	0.8
191.14479	1.3
207.17564	34.5
231.13962	1.3
232.47588	0.9
233.15520	13.3
244.06221	0.9
245.88295	0.9
249.15025	6.1
251.16551	100.0
252.16898	4.3
267.16098	0.9
357.57721	0.9
447.67233	0.9
496.66791	0.9
519.33618	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	519.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02761	0.5
57.03454	41.6
59.01384	7.6
60.50856	0.5
61.98832	9.7
69.03472	1.5
73.02950	0.9
75.00845	0.7
83.05028	10.9
85.02959	0.6
95.05038	0.7
97.02980	0.8
97.06603	0.8
99.04559	0.9
101.02440	0.6
104.43272	0.7
107.62206	0.7
107.77962	0.7
109.06613	1.4
123.08173	0.7
135.08200	0.7
136.22650	0.6
143.98697	0.6
149.16025	0.7
151.11281	1.0
165.12888	6.2
179.10686	0.9
181.12393	0.8
203.14455	0.8
205.16022	3.4
207.17615	0.7
221.15521	2.9
221.82765	0.7
223.17143	1.0
228.20412	0.6
249.14989	100.0
250.15364	1.5
251.16571	6.5
265.14459	13.0
266.14832	0.7
267.16055	45.9
283.81122	0.6
519.33032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.3
57.03448	1.9
58.00607	0.8
59.01389	29.6
61.98834	0.9
64.34581	0.5
69.03445	0.5
71.01389	14.0
72.27396	0.4
73.02940	1.8
81.82381	0.4
83.01402	2.5
85.02958	6.2
89.02450	8.8
95.01410	1.0
100.91434	0.5
101.02447	7.7
113.02472	5.3
119.03486	2.5
120.83845	0.4
130.68819	0.4
191.22160	0.5
227.16568	4.6
239.20178	0.6
279.23242	3.1
291.23141	0.7
303.23428	0.5
309.00449	0.6
309.24384	8.6
321.24429	0.7
327.25504	4.1
327.75949	0.5
339.25452	24.4
339.29565	0.8
357.26508	12.8
376.32828	0.5
489.30728	0.8
497.03638	0.5
519.31793	100.0
520.32153	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	519.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.7
59.01387	22.8
60.99331	1.3
61.98829	9.1
69.03470	0.8
71.01389	6.4
72.02167	14.4
73.02933	8.4
80.91682	1.0
82.70432	0.8
83.05033	1.2
85.02964	1.0
88.63872	0.8
96.95985	0.8
101.02422	1.5
109.06612	1.1
111.08170	1.4
123.08116	1.2
127.49378	0.8
135.08261	1.1
137.09734	1.2
149.09769	1.3
151.11327	3.5
153.12851	3.2
163.11267	5.6
165.12816	3.8
167.14404	3.9
177.12901	0.9
179.14400	5.8
187.14972	1.3
189.12857	7.7
193.12347	51.0
198.43291	0.8
203.14461	4.7
205.15984	27.3
207.13898	4.9
207.17645	1.5
211.13513	1.7
221.15463	2.0
223.17068	18.2
249.14980	12.7
251.16519	6.4
265.14441	2.0
267.16040	100.0
519.33325	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	519.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68530	0.3
53.72604	0.4
54.04671	0.3
59.01385	21.7
60.32060	0.3
61.98839	0.6
71.01375	8.5
73.02960	2.0
83.01395	0.5
85.02962	1.8
88.98829	0.4
89.02443	10.0
92.10827	1.0
96.96029	1.7
97.02955	0.5
99.00890	0.9
101.02451	4.1
113.02457	1.7
125.02456	2.8
127.87310	0.4
131.03479	5.8
149.04572	4.0
152.56253	0.4
165.09219	100.0
191.05563	3.1
212.07115	0.4
246.15971	0.5
256.97232	0.4
282.10110	0.4
293.08786	7.1
459.18781	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	519.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16216	0.7
54.82648	0.8
55.01899	1.3
55.99861	0.7
57.03464	1.8
58.00589	1.3
59.01388	70.0
61.98851	4.3
67.25397	0.8
67.86217	0.9
69.03489	0.8
69.96606	0.8
71.01381	24.8
72.99321	1.4
73.02959	7.5
75.00918	0.9
78.95943	1.2
81.07105	8.4
83.01407	0.9
83.05038	1.8
85.02951	8.5
88.98833	1.0
89.02439	37.9
92.16629	0.9
95.05009	0.9
95.18653	0.9
97.02953	1.4
99.00908	3.8
101.02444	15.1
113.02461	4.8
119.03544	1.2
121.10229	21.4
123.08178	1.2
125.02447	7.2
125.56945	0.9
131.03511	24.0
149.04573	17.2
165.09216	100.0
191.05646	11.6
265.14490	10.5
272.32458	0.9
293.08813	6.6
301.40860	1.1
393.10928	0.9
459.18994	5.4
519.31891	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30669	0.3
55.01876	0.3
59.01377	25.8
61.98819	0.3
64.00806	0.3
69.03433	0.4
71.01369	11.6
72.99309	0.5
73.02952	1.8
75.00870	0.8
83.01379	0.7
85.02941	2.3
89.02426	13.4
92.10744	0.7
97.02932	2.5
97.03491	0.3
99.00864	0.8
101.02441	5.0
113.02461	2.3
119.03478	0.3
125.02397	3.5
131.03487	8.0
143.03424	0.5
149.04512	4.2
149.31236	0.3
151.29941	0.3
161.04582	0.4
162.88145	0.3
163.07497	0.5
165.09190	100.0
166.09485	0.3
185.72653	0.3
191.05644	3.0
215.95192	0.3
223.61385	0.4
267.16006	1.4
293.08740	7.3
459.18268	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	519.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	6.5
59.01384	28.3
61.98835	18.6
69.03474	1.5
71.01390	7.4
71.05036	2.1
73.02950	2.6
74.32542	1.3
83.01419	2.2
83.80476	1.6
85.02963	3.6
95.05039	1.7
96.95992	2.3
97.02969	3.1
101.02454	1.9
110.46864	1.5
113.02467	1.5
115.04006	2.0
121.02927	2.0
124.01639	3.5
139.04016	6.5
149.80202	1.5
153.05565	1.8
161.04591	2.9
165.12834	3.1
173.06012	2.9
176.22681	1.6
187.07640	1.9
189.09244	3.1
228.04312	1.8
251.16568	22.9
253.05075	3.6
256.03763	10.6
256.10965	1.8
265.14468	2.5
267.15894	3.7
268.11111	2.3
271.06073	10.0
284.10568	2.1
291.19693	7.1
294.08951	3.1
299.12970	3.4
309.11426	6.2
312.10120	3.3
315.16245	2.4
327.12460	55.6
342.14780	60.5
357.17130	100.0
446.64951	1.6
494.51492	1.6
519.32977	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	518.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45382	0.2
52.77091	0.2
52.82221	0.3
53.17131	0.2
59.01397	0.2
59.30691	0.2
72.00909	13.0
72.70197	0.3
91.05550	0.6
96.96011	3.5
99.44160	0.3
101.06094	1.2
110.84659	0.3
146.06172	0.3
147.04539	48.8
164.07188	100.0
166.77452	0.3
191.05728	0.4
217.06815	0.3
291.23004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06564	0.8
57.03428	0.9
57.72382	0.8
59.01394	12.2
59.58958	1.0
61.98842	100.0
64.04636	1.1
69.23225	1.0
78.98081	1.0
117.03468	2.1
145.03014	7.5
204.07135	1.0
518.32275	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	519.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32174	0.3
57.03464	0.6
59.01390	0.8
69.03471	0.3
71.01394	0.8
72.99321	0.8
73.02959	1.7
75.00887	2.0
77.60364	0.4
78.95944	0.4
83.05019	0.6
85.02980	0.7
93.03481	1.8
95.05038	0.9
96.96016	1.6
97.02966	0.5
101.06076	0.5
109.06602	0.7
111.04546	1.8
115.04015	0.5
123.04496	0.6
125.53313	0.4
137.06094	2.1
147.08194	1.0
157.10233	32.5
159.08133	3.1
161.09740	0.8
163.07675	0.5
171.08189	0.8
173.04596	0.9
173.09717	0.4
175.11301	18.1
177.09148	0.5
189.09244	1.0
191.05620	1.8
193.12396	0.7
201.09222	0.8
203.10854	2.5
207.10188	0.7
211.13554	0.5
219.10283	1.9
221.11768	1.7
239.12965	0.5
265.10837	9.1
283.11908	12.1
327.10925	100.0
328.11218	0.9
345.12216	0.7
480.09290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
54.49485	0.3
55.01877	5.0
59.01380	2.9
71.01366	1.5
75.90780	0.3
80.84483	0.3
83.01376	73.7
85.02922	0.5
85.75748	0.3
92.10810	0.8
93.03465	0.7
96.95999	0.8
121.02132	0.6
121.02934	10.1
122.03718	18.7
122.04613	0.6
123.04511	5.9
124.01559	0.5
126.08275	0.4
128.28490	0.4
136.05270	3.9
137.02391	1.4
137.06061	13.7
146.03723	0.5
147.04507	6.8
154.02724	0.4
161.06071	3.7
162.06845	2.4
164.67989	0.4
165.09151	1.7
168.04268	0.9
191.07063	0.7
206.05826	0.8
209.08197	3.3
221.08188	5.3
297.07755	0.9
298.12057	2.1
313.14526	2.2
342.11072	8.4
357.13443	100.0
358.13821	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	519.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83231	1.0
57.03453	1.1
59.01390	7.8
63.44027	1.0
71.01382	4.0
71.05030	1.7
72.99313	27.1
75.00871	86.9
75.29311	1.0
81.03469	1.0
83.05029	10.1
85.02955	1.2
87.00908	1.3
93.06150	1.1
95.05034	2.2
96.96014	4.3
97.06580	2.7
101.02457	2.5
103.04028	1.1
107.01544	1.4
109.02966	4.9
119.05012	8.1
121.02974	1.2
123.04530	2.7
125.02464	4.7
134.03764	1.4
139.04005	2.0
141.09262	1.9
147.04526	1.7
149.02420	5.5
151.00433	4.2
151.04019	2.1
153.02002	1.5
163.04010	5.8
166.02608	1.4
167.03490	7.1
175.00330	1.2
180.04263	1.8
185.08136	1.7
185.11897	2.1
189.40352	1.3
191.03539	11.1
209.04576	1.8
217.05240	1.7
226.06389	5.1
229.07506	10.1
229.10838	100.0
233.04340	1.3
235.06061	1.5
240.07935	1.5
241.08752	6.7
252.07982	2.4
254.09677	1.2
267.10376	4.6
289.07214	8.1
301.03506	1.6
399.13025	5.9
415.27838	1.2
488.43683	1.2
519.15558	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	519.1879
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01383	13.3
59.89150	0.4
71.01376	5.7
71.62729	0.5
72.99287	0.7
73.02941	4.6
75.77309	0.4
76.17940	0.4
81.01578	0.5
83.01370	0.8
85.02929	3.6
86.62907	0.6
88.98812	0.8
89.02452	1.9
92.10732	1.0
93.03451	3.1
96.96063	0.4
101.02441	4.5
106.80251	0.4
109.02980	0.8
111.04493	0.5
113.02493	2.4
117.97318	0.5
121.02942	6.9
122.03751	4.3
123.04489	0.5
133.02975	0.7
134.03755	0.6
135.04591	0.7
136.01662	80.9
137.02489	3.6
151.04012	100.0
157.08694	1.1
159.04521	0.7
160.01714	0.5
160.05261	0.8
161.02452	0.9
161.04547	1.1
162.03221	0.7
166.05128	0.7
171.85303	0.5
173.04518	2.3
175.07671	1.0
177.05507	0.8
190.24704	0.6
191.05621	14.4
197.09712	1.1
201.11334	3.4
269.48270	0.5
301.10831	2.0
342.11151	5.3
357.13492	70.9
518.78473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06495	1.2
57.03454	44.4
57.03714	2.1
58.47799	1.1
59.01382	17.0
61.70282	1.4
61.98838	52.5
69.03471	2.1
81.03448	2.1
83.05045	6.4
85.02958	1.6
96.96015	2.0
97.02966	2.8
99.04517	1.3
109.06657	1.5
111.08241	1.9
121.06677	1.5
125.09633	1.5
137.09766	4.8
151.11411	1.2
153.12849	6.8
153.15515	1.3
175.39984	1.4
191.14467	1.8
205.15971	1.7
207.17558	28.9
219.13905	1.6
233.15439	15.4
249.15086	10.4
251.16548	100.0
517.32147	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	517.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44168	0.3
53.20914	0.3
55.78345	0.3
57.03448	1.5
59.01378	2.7
61.35987	0.3
61.98824	7.2
62.37921	0.2
65.30215	0.2
69.03467	1.2
71.01385	0.4
71.05004	0.4
77.39097	0.3
77.66859	0.2
79.89390	0.2
83.05030	2.4
84.48862	0.3
85.02968	0.3
91.05498	0.3
95.05026	0.7
96.33178	0.3
97.02942	0.3
97.06580	1.3
99.04524	0.4
107.05039	2.8
109.06593	0.7
111.08138	0.7
120.05732	0.3
121.02924	0.4
121.06600	0.7
123.08167	0.4
133.06577	0.7
133.10242	0.4
135.08134	0.5
137.09758	0.4
145.06593	1.1
147.04500	0.3
147.08211	0.5
149.09650	0.6
151.11327	0.3
153.12828	0.3
160.08917	0.5
161.09729	0.3
161.13330	0.5
163.11263	0.4
175.11256	2.1
185.13327	3.7
185.37334	0.3
187.11255	0.7
188.12093	0.3
201.12871	1.6
203.14436	25.6
229.12274	0.4
247.13399	100.0
248.13739	0.5
249.14958	1.5
265.14468	1.9
267.15915	0.3
446.29077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98838	1.2
92.66023	0.9
122.72957	0.8
208.58199	0.9
236.27284	0.9
281.13913	1.0
471.26840	1.0
517.32025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79510	0.6
59.01393	100.0
61.98878	0.9
62.61325	0.6
69.14870	0.5
114.49287	0.6
134.25554	0.7
229.50446	0.7
249.81709	0.6
305.65845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23812	0.9
57.03464	2.0
59.01389	9.9
71.01392	6.6
71.05025	1.2
80.22583	0.9
83.05048	1.0
89.02472	1.0
93.03449	1.9
97.02948	8.7
97.06622	1.1
105.07116	5.2
105.20351	0.9
107.05056	4.1
108.02214	1.2
108.05812	9.5
109.02966	4.6
109.06590	5.1
111.04529	10.1
111.08178	1.3
113.06085	9.4
113.56562	0.9
119.08664	5.2
121.06573	4.7
122.03733	12.5
123.08148	9.9
124.05272	1.2
125.06080	19.9
135.08160	1.9
136.05305	17.4
137.02490	4.7
137.06104	7.0
138.06882	24.8
139.07652	41.5
148.05321	7.9
149.06183	3.5
151.07663	84.9
152.04794	9.1
152.08443	41.4
153.09229	19.4
159.11824	4.8
161.09677	7.4
163.07689	17.1
163.11424	1.3
167.07112	4.0
171.08124	1.2
180.53632	1.1
185.09702	2.1
186.10486	4.2
188.08423	1.3
189.09267	4.8
191.18188	1.0
201.12869	39.1
203.10793	21.4
204.11574	73.0
205.11853	1.3
219.13924	100.0
222.88225	1.0
245.12012	1.5
245.91353	1.1
263.12903	99.8
277.03207	1.0
279.70529	1.1
396.68018	1.1
418.81531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.0
57.04703	0.5
59.01387	100.0
59.31786	0.5
65.23856	0.5
67.09727	0.6
71.01377	6.3
72.99306	0.6
73.02971	3.4
77.17212	0.6
85.02949	5.0
89.02463	3.4
95.01385	1.0
96.96035	2.2
97.02980	0.9
99.04534	1.4
101.02431	4.4
107.18129	0.5
108.20553	0.6
108.97878	0.5
109.06605	1.0
111.04535	2.5
113.02469	7.6
116.92868	0.7
119.03503	1.2
128.04791	0.9
134.33893	0.6
141.09184	0.9
161.04597	2.4
163.07710	0.9
201.13029	0.8
219.13918	6.5
223.87311	0.6
235.13412	2.7
245.11925	1.1
251.12947	1.2
263.12909	20.5
277.14523	5.4
294.77271	0.7
295.15552	96.4
311.15195	0.6
337.16513	3.7
437.01447	0.8
457.20828	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73287	0.7
56.12793	0.8
57.03461	6.6
59.01381	10.2
59.25410	0.8
61.98835	36.6
69.03483	1.1
71.01392	1.6
71.05024	1.3
81.03459	0.9
83.05042	2.0
83.54501	0.8
85.02985	1.7
95.05038	1.1
97.02947	0.9
97.06596	1.7
99.04519	1.3
102.14865	0.8
111.08152	3.7
114.23871	0.9
122.16146	0.9
133.06581	1.4
144.05832	13.2
149.09766	1.6
151.11284	1.9
156.36470	0.9
167.10802	9.7
169.10219	1.2
185.13345	17.8
187.11281	18.4
188.11606	1.0
203.14456	21.6
205.16019	4.8
216.60577	1.0
221.15504	16.9
237.14879	1.7
247.13397	100.0
248.13751	6.2
249.14992	16.0
256.01382	1.0
263.28656	1.0
265.14401	4.4
312.22385	0.9
327.86157	1.1
463.57495	1.2
517.31866	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	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50864	0.7
55.01883	1.2
58.00605	1.9
59.01385	100.0
60.37191	0.9
61.86600	0.8
69.03462	8.2
69.04903	0.9
71.01381	69.7
72.99322	1.9
73.02946	12.2
75.00883	0.9
81.03478	4.9
83.01384	5.9
85.02934	9.4
86.19524	0.9
87.00898	2.0
89.02441	81.0
95.01373	0.9
96.96035	1.5
97.02928	9.8
99.00879	11.6
99.04511	1.9
101.02439	14.5
111.00888	1.2
113.02467	7.9
115.04018	5.6
125.02443	37.8
127.04024	1.1
131.03514	9.7
143.03517	1.7
148.05319	98.3
149.04559	13.3
161.04559	1.8
163.07655	29.1
191.05623	4.5
233.06709	20.8
240.01613	0.9
271.52576	0.9
293.08838	58.0
295.15594	1.2
344.81183	0.9
424.87936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03443	1.3
57.45158	1.1
59.01381	91.6
65.05779	1.5
66.28461	1.2
69.03465	8.6
71.01375	73.8
72.99313	3.3
73.02934	12.8
75.00866	1.7
77.65685	1.2
81.03450	2.1
83.01388	6.5
85.02953	10.1
86.40192	1.1
87.00856	2.5
88.98808	1.4
89.02437	76.4
92.10054	1.7
96.96010	2.0
97.02944	15.6
97.06562	1.2
99.00881	11.3
99.04507	7.6
101.01248	1.2
101.02422	14.8
108.02187	1.4
111.00864	1.6
113.02412	6.4
115.03995	7.1
116.92817	1.9
119.03477	1.9
120.82887	1.5
125.02428	41.7
131.03494	7.3
134.38188	1.3
141.09187	2.0
143.03497	2.9
148.05312	100.0
149.04558	9.8
161.04410	1.5
163.07660	38.3
171.25728	1.5
191.05591	8.3
233.06676	30.4
278.63165	1.4
293.08829	66.6
387.48187	1.4
434.98120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89358	0.7
55.01899	1.0
57.03461	1.5
57.19369	0.8
58.00615	1.5
59.01383	100.0
69.03473	3.8
69.09853	0.7
69.83339	0.9
71.01379	54.5
72.99318	2.0
73.02939	7.7
74.89131	0.8
79.18126	0.9
80.27850	0.9
81.03453	1.8
82.95440	3.5
83.01383	1.9
85.02958	10.7
87.00866	0.9
88.98800	1.5
89.02439	53.4
90.66558	0.9
92.10200	2.0
94.35363	0.9
95.01417	0.9
96.95995	6.5
97.02939	6.6
99.00858	2.2
101.02449	13.5
105.41571	0.9
113.02429	8.2
114.40337	0.9
119.03500	1.5
125.02441	23.6
131.03506	12.3
143.03535	2.0
148.05321	49.5
149.04553	13.7
161.04599	1.8
163.07680	19.6
179.10797	1.5
181.37306	0.9
188.52200	0.9
288.55704	0.9
293.08792	27.8
303.45584	0.9
353.44067	1.0
528.05914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.1
59.01381	5.0
60.99319	1.2
61.98843	3.2
66.08430	0.5
69.03458	7.7
71.04398	0.5
71.05019	6.8
79.95753	1.1
82.95419	6.2
83.05019	7.3
88.57450	0.6
92.03584	0.5
93.07104	1.3
96.96006	7.2
97.06602	0.8
98.95578	0.9
99.04545	1.2
104.58206	0.5
105.38059	0.7
109.06586	7.7
110.53342	0.6
127.07650	28.0
127.41595	0.6
136.05293	1.1
139.00664	0.5
146.03589	0.6
165.12885	5.4
183.13972	0.8
190.93239	0.7
213.11282	1.1
227.12917	100.0
293.17599	1.4
515.11993	1.1
515.25269	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	517.0034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75378	1.2
54.82557	2.0
59.01384	100.0
78.95953	1.8
92.10136	2.3
113.53452	2.1
136.94002	1.9
157.03584	2.6
159.01465	2.6
162.13821	1.7
174.99258	32.6
178.95071	2.1
201.02550	36.2
202.02745	6.7
217.00319	84.7
343.03671	7.1
344.03894	1.8
359.01498	12.8
374.99310	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	7.0
63.38485	2.6
67.67366	3.0
71.01379	36.4
71.01704	2.8
72.00924	12.3
73.02962	12.3
74.02493	15.7
79.75999	2.8
85.02952	15.7
89.02489	3.4
91.38702	2.8
95.01392	3.3
96.96000	50.7
99.00878	4.5
101.02453	16.6
106.04276	3.6
107.05028	77.8
110.53177	3.1
113.02461	11.7
115.07684	13.0
116.05054	49.1
123.04546	15.2
129.05643	4.6
130.06607	3.3
138.03235	3.0
139.07643	2.9
142.06676	11.2
143.03523	3.4
143.07077	3.5
150.03185	6.0
151.04018	81.2
152.72505	2.9
159.09277	12.9
161.04564	19.9
173.38921	2.9
201.07732	13.8
203.08272	100.0
205.07201	17.5
293.31754	3.2
313.09308	17.3
475.30768	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56340	0.4
52.29756	0.3
54.82460	0.4
55.20012	0.3
59.01370	2.0
60.99310	17.6
88.98801	100.0
89.02436	1.5
89.99622	0.4
96.96001	0.8
157.59927	0.4
203.00887	0.4
240.89061	0.5
289.75418	0.5
300.02582	0.4
358.55054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
59.01108	0.3
59.01395	8.1
61.98834	1.2
65.03978	0.4
71.01397	2.0
72.99326	0.4
73.02939	1.1
83.01379	0.3
83.05045	0.6
85.02965	0.6
88.98848	0.4
89.02445	1.0
93.03463	78.4
96.96021	5.3
99.04519	0.6
101.02457	1.1
109.06610	0.3
113.02476	0.5
116.92872	0.4
123.08176	0.3
131.03522	1.5
135.08174	0.3
137.02454	100.0
142.56725	0.3
151.07681	0.6
173.08226	0.5
200.27977	0.3
213.11301	0.4
244.92151	0.3
277.48825	0.3
336.80469	0.3
346.30176	0.3
471.23096	0.4
515.17737	3.8
515.31256	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	515.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07255	0.6
59.01379	3.7
61.98836	0.7
71.01401	1.3
83.05037	1.4
93.03452	3.9
96.95988	10.5
98.95564	5.0
107.04993	0.8
108.02154	0.9
109.02992	0.9
109.05715	0.7
116.10957	0.6
121.02932	6.9
122.03712	13.0
123.04505	1.0
124.01613	1.1
124.19439	0.6
133.02901	1.0
134.03728	11.5
135.04503	3.5
136.01642	26.7
137.02423	2.8
149.02432	20.5
149.06024	5.4
150.03210	100.0
151.00389	1.6
151.04015	19.6
152.04803	1.0
162.03220	1.2
163.29558	0.7
164.04784	3.4
165.05548	74.3
173.04472	0.8
178.99873	1.3
180.04253	5.8
185.06004	0.9
194.19261	0.7
195.04784	1.9
195.06607	35.1
213.05595	10.5
214.02847	0.8
221.04536	1.2
224.04768	1.5
238.18349	0.8
241.05052	44.9
242.02191	0.7
253.08662	4.0
255.06474	1.3
256.04721	1.1
256.07397	29.7
269.04584	0.9
271.02496	4.9
271.09753	52.4
284.07050	1.0
285.07736	1.4
287.02069	3.3
299.09180	3.9
316.02234	15.3
317.03046	1.7
319.11871	3.6
449.55688	0.9
467.17017	6.0
479.08185	11.0
480.08875	0.8
515.19379	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	515.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11377	0.5
54.89396	0.6
57.03445	0.5
59.01397	4.3
61.26018	0.5
64.74075	0.5
71.01395	0.7
80.34502	0.5
83.05065	0.6
89.02460	0.7
93.03423	4.6
96.96023	9.6
98.95643	2.1
101.02402	0.7
108.02209	0.9
109.03004	1.0
120.33183	0.6
121.02954	5.9
122.03744	13.4
125.02509	0.9
132.45029	0.6
133.02950	2.6
134.03758	12.8
135.04535	2.9
136.01675	24.4
137.02428	1.0
149.02457	19.9
149.06046	4.7
150.03241	100.0
151.00443	1.0
151.04021	20.2
162.03239	2.2
164.01170	0.7
164.04805	2.7
165.05582	79.7
180.04260	5.2
183.60393	0.6
185.06117	1.4
191.05728	0.8
195.04745	1.2
195.06633	33.3
213.05585	8.1
214.02773	1.2
221.04716	0.7
223.04065	1.4
224.04839	1.4
241.05099	43.9
252.04333	1.0
253.05357	0.7
253.08704	4.1
255.06779	1.1
256.07446	31.5
267.06671	0.9
271.02570	6.3
271.09796	47.9
285.07864	1.5
287.02026	3.4
299.09320	7.3
316.02298	14.5
319.11832	4.7
467.16974	5.4
479.08371	10.1
515.18982	1.4
533.55701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2998
Annotation	Probucol
Peak:m/z	Relative Intensity
50.18458	2.9
54.56919	2.7
57.03468	4.8
59.01387	100.0
61.98838	7.7
71.01405	15.4
73.02937	3.9
83.05075	3.4
85.02976	4.3
87.43323	3.3
89.02469	5.6
95.05021	3.1
96.96009	4.2
100.38601	3.1
109.06590	4.1
109.68546	3.4
113.02494	3.3
121.02975	5.0
141.09270	5.5
153.09361	3.6
189.27052	3.5
216.68474	3.5
455.26147	3.6
515.29742	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61668	0.2
52.97800	0.2
53.88206	0.2
59.01392	1.7
60.01728	0.3
61.98833	100.0
71.49706	0.2
73.75304	0.3
92.32850	0.3
96.95999	1.1
97.86156	0.3
104.61548	0.3
127.38845	0.3
144.99831	0.2
153.01979	0.3
170.74619	0.2
204.16571	0.3
227.12891	1.1
228.13318	0.5
230.18773	0.2
268.03613	0.3
452.33289	0.4
453.33627	0.4
454.33655	1.4
514.15265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1574
Annotation	2''-O-(2'''-Methylbutyryl)vitexin
Peak:m/z	Relative Intensity
59.01376	28.1
61.98814	0.8
71.01369	15.1
72.99294	83.6
73.50234	0.6
85.01024	1.0
85.02968	3.9
85.17740	0.8
89.02419	13.6
89.02836	0.7
95.01373	1.0
96.95999	12.8
101.02450	8.2
106.04222	1.4
113.02463	5.4
119.03466	4.8
165.62271	0.8
168.70782	0.7
185.07185	3.3
191.05585	3.7
205.05208	0.9
245.08223	1.1
293.12952	10.8
515.15814	100.0
516.16101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03453	0.9
57.37498	0.5
58.00599	1.2
59.01384	27.6
69.03469	0.9
71.01379	17.3
71.05017	0.7
73.02942	36.5
81.03467	4.5
83.01436	0.7
83.05029	13.6
85.02960	8.2
87.00897	1.0
89.02440	28.0
93.03452	80.7
99.00888	10.6
99.04514	9.5
101.02441	11.1
109.02988	1.1
111.04526	28.6
113.02441	8.4
119.03511	10.8
129.01968	4.1
131.03481	0.7
133.36847	0.6
137.02448	26.4
143.03511	7.9
155.03514	15.1
161.04614	1.4
173.04553	100.0
179.05640	10.7
279.40631	0.6
298.74463	0.6
303.06030	0.6
341.10925	71.1
342.11203	0.8
515.16406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22354	35.8
62.92146	44.9
66.80729	41.0
68.25768	36.8
71.48746	43.4
84.68179	44.2
92.10071	63.2
95.72508	42.6
102.40846	50.1
111.08199	53.2
148.44627	45.0
176.52518	51.3
181.12350	81.2
255.23306	100.0
330.77301	48.9
375.93820	48.7
394.09680	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13228	81.2
54.05648	68.5
54.06323	69.2
54.82724	88.9
69.52268	75.0
87.30886	85.8
157.50034	87.0
162.76230	83.0
162.97958	100.0
163.08357	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
76.40118	68.6
107.51249	77.4
155.34464	73.8
220.26845	99.0
329.84082	100.0
348.69888	89.8
424.02411	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.6
60.99362	0.4
61.98834	7.7
62.20792	0.3
63.02433	0.3
65.00349	0.5
83.01424	0.4
85.02946	0.3
86.77353	0.3
88.98820	3.5
89.02475	1.5
89.81837	0.3
93.12350	0.3
101.02461	0.6
107.01421	1.4
109.03004	0.4
113.02516	0.6
119.03506	0.5
120.54403	0.3
121.02995	0.3
133.02933	3.0
134.03696	0.6
138.27954	0.4
145.11903	0.3
149.02472	0.8
151.00404	3.9
156.75493	0.3
175.04008	1.9
199.04001	1.7
205.12340	0.5
211.04118	0.5
217.05058	1.3
227.03459	0.6
241.05064	0.4
255.03075	0.6
256.03839	3.5
284.03296	56.1
285.04080	100.0
286.04623	0.6
327.05151	0.8
447.09390	77.2
448.09604	2.5
450.61700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41628	0.2
57.03455	1.0
59.01386	9.1
59.63277	0.2
60.01731	1.1
60.89208	0.2
61.01816	1.0
61.98837	100.0
64.67428	0.3
71.01384	2.3
71.62859	0.2
72.01723	0.5
72.43360	0.2
73.02938	0.5
85.02943	1.0
89.02445	3.4
90.02769	0.6
91.02859	0.5
99.00890	0.3
101.02448	1.6
102.02755	0.4
113.02467	1.0
119.03582	0.3
131.03500	1.6
132.03822	0.6
133.04041	0.3
149.04572	1.0
155.10765	0.3
163.47815	0.3
191.05659	0.3
192.05920	0.4
255.16061	1.4
256.16492	0.3
287.22348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14343	0.2
59.01385	0.9
61.98834	100.0
62.96288	0.2
65.69574	0.2
70.90215	0.2
71.56775	0.2
75.25087	0.2
78.95927	0.4
96.52564	0.2
115.08984	0.2
145.02956	0.2
152.99591	1.1
281.24869	2.1
282.25250	2.1
341.03436	0.2
358.16074	0.2
494.79645	0.2
509.28738	0.4
510.29095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01396	2.3
60.99317	0.7
67.01917	2.3
69.03474	0.9
70.98040	0.5
71.01387	1.5
73.02968	4.3
74.20940	0.7
81.03482	1.2
83.05022	1.4
83.23034	0.6
85.02968	8.8
87.00885	6.5
92.35026	0.6
93.03459	27.8
96.96013	19.4
96.96960	0.7
99.00859	1.2
99.04520	0.8
107.05048	1.1
109.02988	2.6
111.00928	1.0
111.04546	5.8
119.05038	15.9
127.04009	3.1
129.01904	0.8
133.06596	0.8
137.02435	2.9
143.05034	0.8
145.02896	1.2
147.04501	0.9
155.03479	2.3
161.06049	1.4
163.03999	9.7
173.04607	9.7
185.09706	0.7
187.07707	1.4
189.09175	3.3
191.05632	100.0
192.28244	0.7
195.08156	2.5
211.07701	1.4
213.09163	3.8
215.07301	0.9
229.08772	0.9
293.10394	6.7
319.08377	4.9
337.09344	65.7
338.10233	1.0
511.14630	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36708	3.5
58.06315	3.8
58.17850	4.2
59.01384	100.0
61.98831	36.1
89.02477	5.0
89.49493	4.7
92.32724	4.6
120.16701	4.5
143.51775	4.1
152.99579	7.1
155.03944	4.6
283.25461	7.6
511.29825	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	511.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	54.8
63.29858	0.3
81.03466	5.8
83.05037	19.7
83.05545	0.6
89.36411	0.4
92.10073	0.6
92.65841	0.3
107.68425	0.3
108.04525	0.4
125.07189	1.9
130.00378	0.4
134.71980	0.4
143.08286	0.5
149.99588	0.6
150.80661	0.3
168.00682	0.7
207.15053	2.5
224.17754	3.4
225.16127	11.2
227.12920	0.5
242.18674	0.5
283.15494	0.6
294.42938	0.4
309.21835	0.6
324.26666	0.7
333.23120	3.0
351.23978	0.7
366.80634	0.4
367.27194	1.6
396.39978	0.4
433.31870	8.4
451.32959	100.0
452.33170	0.7
511.11942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84883	0.1
58.21100	0.1
59.01386	0.2
71.05018	0.3
76.38277	0.2
78.95922	2.1
79.95753	2.0
86.29008	0.2
87.67463	0.2
96.96015	100.0
96.96899	4.3
104.84753	0.2
110.13113	0.2
113.09658	0.2
115.11247	0.2
119.67035	0.2
121.02983	0.6
169.12358	0.3
209.04607	0.3
213.11316	0.8
264.28448	0.2
271.94989	0.2
289.45660	0.2
365.25354	0.2
387.74695	0.2
453.23712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93960	1.4
57.03468	1.4
59.01399	3.5
72.99313	22.4
92.10128	2.1
96.96011	13.7
99.08183	8.9
101.02504	1.9
109.06612	1.5
113.06129	3.6
115.07655	76.8
129.05597	39.7
143.07144	26.1
149.06017	1.6
149.09717	3.2
159.06682	3.0
161.08200	1.4
161.26300	1.6
170.39258	1.6
173.09682	11.1
177.05576	3.0
189.09782	2.0
191.10754	3.4
199.73596	1.4
205.07207	100.0
300.96967	1.4
307.08286	21.9
458.36163	1.5
469.83081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.4
59.01383	100.0
61.98836	1.5
64.34400	0.4
67.14955	0.3
69.03440	0.6
71.01376	0.4
83.05029	4.3
85.02951	0.8
97.06603	0.4
102.13290	0.3
104.92887	0.3
107.05014	0.4
110.45319	0.3
124.17550	0.3
125.06082	0.5
135.08151	0.5
165.09233	1.7
177.70096	0.3
190.13527	0.4
194.14355	0.4
253.18118	0.7
255.12466	0.4
285.46436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89212	0.3
57.03448	0.5
59.01383	100.0
61.98841	1.4
69.03438	0.3
71.01373	0.4
81.03489	0.3
83.05014	5.5
85.02954	0.7
88.44402	0.4
90.38316	0.3
97.02937	0.4
97.06588	0.3
99.04531	0.5
124.25569	0.3
125.06085	1.5
135.08113	0.7
137.62408	0.3
144.77493	0.3
152.85544	0.4
165.09196	2.2
173.06071	0.4
179.14375	0.4
190.13037	0.4
253.18071	0.5
369.70474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01385	100.0
61.98846	2.0
68.68852	0.4
69.03426	0.5
71.01377	0.4
73.02939	0.7
76.29242	0.4
83.05029	17.5
85.02977	0.8
87.00842	0.6
92.10110	1.0
95.05053	0.7
108.02182	0.4
111.08149	0.5
115.85558	0.5
123.04456	0.5
125.06068	2.0
135.08174	0.6
144.38431	0.5
151.07593	0.6
153.09189	1.1
156.82343	0.5
161.27611	0.5
162.43390	0.5
163.07709	0.7
165.09235	2.4
181.08772	0.5
189.11037	0.4
253.18266	0.5
331.54895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
57.91232	0.3
59.01385	100.0
61.98832	1.0
69.03467	0.7
73.02935	0.4
73.28888	0.3
75.00902	0.4
75.70769	0.4
83.05033	15.0
90.79256	0.4
95.05033	0.6
97.06593	0.8
99.04530	0.7
100.93783	0.4
107.05054	0.6
109.06601	0.6
111.66013	0.5
123.08150	0.6
125.06102	0.6
135.08121	0.6
165.09171	1.9
177.12846	0.5
181.08568	0.6
183.10255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03442	0.4
57.28099	0.3
59.01382	10.6
60.01717	1.6
60.86129	0.4
61.98834	100.0
66.53560	0.4
71.01379	5.7
72.01693	0.7
73.02944	1.9
83.01368	0.6
85.02957	1.9
86.03300	0.7
86.40334	0.4
88.98809	0.4
89.02453	2.0
89.25763	0.4
93.15953	0.4
96.98874	0.4
99.00893	0.7
101.02443	4.7
102.02783	0.5
105.01028	0.4
113.02458	2.2
114.02728	0.5
131.03484	1.8
132.03815	0.8
161.04509	0.6
165.35442	0.5
244.06917	0.5
292.09677	0.5
313.16830	0.6
314.16992	0.9
315.17267	2.9
316.18021	2.2
345.16959	0.5
346.17023	1.0
362.79575	0.4
447.21793	0.7
448.22003	4.1
508.22775	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40653	2.7
51.32850	2.5
59.01384	51.4
59.01605	2.8
71.01402	24.1
72.99326	22.9
73.02972	3.8
74.21808	3.0
75.72374	3.2
85.02905	3.9
89.02466	19.5
101.02457	15.2
119.03500	3.7
127.83141	4.3
135.04491	3.6
142.74481	3.6
149.04616	3.7
152.73499	4.1
162.25597	3.7
173.04524	3.5
191.05618	13.1
240.93291	4.1
449.24271	8.6
473.16815	66.2
509.14240	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	509.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17707	1.0
54.40719	0.8
57.03460	1.6
58.00611	2.7
59.01387	100.0
61.06273	1.0
66.00386	1.1
71.01386	50.6
71.01776	1.9
72.99313	1.7
83.74074	1.0
85.02959	9.8
87.00900	1.3
89.02445	64.4
101.02473	2.6
108.02216	1.9
113.02456	5.2
119.03500	1.8
121.02959	6.4
122.03751	4.1
123.04509	1.5
131.03508	7.7
137.09052	1.1
141.96385	1.0
149.04559	15.3
162.03236	15.0
164.24507	1.1
165.05592	2.7
166.06407	15.1
177.05595	6.3
181.08713	1.7
195.06644	1.5
205.42955	1.2
223.29723	1.3
256.41113	1.0
287.18829	2.5
347.15149	9.0
375.35306	1.1
493.20383	1.3
498.66705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34102	1.2
55.86079	1.1
58.00618	1.6
59.01387	100.0
68.36690	1.2
71.01385	53.3
72.99325	2.0
81.28203	1.3
83.01462	1.4
83.43275	1.2
85.02966	3.2
87.00872	2.4
89.02451	65.5
92.65903	1.6
100.71893	1.3
101.02460	6.0
103.00404	1.5
108.02260	1.5
113.02492	7.2
119.03501	1.5
121.02988	5.8
122.03704	1.4
131.03516	6.1
145.03041	2.0
149.04587	13.6
161.02441	1.7
162.03217	18.3
165.05594	3.1
166.06358	19.0
177.05594	7.1
181.08783	2.7
195.06635	3.0
216.56207	1.6
243.12497	1.4
287.18631	2.4
311.11346	2.6
340.59567	1.7
347.14963	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	509.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65965	1.0
55.01877	3.4
57.03452	6.1
59.01382	100.0
61.98835	1.6
67.01871	1.3
69.03443	1.4
71.01381	35.9
71.05047	1.3
73.02944	12.0
83.01391	7.3
83.05029	1.8
85.02956	23.9
85.06574	1.4
86.02877	1.3
87.00819	1.9
89.02450	2.6
96.96026	2.2
99.00901	2.8
101.02439	40.3
111.00942	1.5
113.02454	14.2
122.42293	1.4
131.03485	18.0
131.40860	1.3
137.09731	2.0
161.04572	9.3
195.10205	1.7
223.13457	2.4
263.40796	1.5
276.00778	1.5
287.22302	3.0
302.56909	1.5
317.19736	86.6
389.92300	1.5
449.23898	18.8
449.29895	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	509.2893
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
51.05546	0.3
51.23688	0.3
59.01383	10.3
59.22041	0.4
59.88678	0.4
61.98848	2.5
65.84252	0.4
78.95904	19.3
80.26730	0.4
86.03312	0.4
92.66881	0.5
96.96999	0.9
97.06582	0.5
105.17036	0.5
139.56158	0.4
148.12085	0.4
150.98088	0.5
152.99599	32.1
171.00685	1.0
193.12088	0.5
227.03333	3.1
245.04198	0.9
281.24890	100.0
282.25272	0.8
296.90204	0.5
338.49219	0.5
509.28900	49.4
510.28961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98198	0.9
56.24580	1.1
59.01396	8.9
61.33980	1.1
61.98836	100.0
64.35043	1.1
71.01387	5.4
72.88754	1.1
89.02473	5.9
96.96014	18.8
101.02489	1.8
108.93439	1.1
110.37526	1.2
125.02441	1.4
141.64711	1.2
171.06624	1.1
172.76823	1.3
285.03864	1.5
293.08884	1.7
445.13477	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	507.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75872	2.5
57.03462	18.7
59.01386	79.1
60.74996	2.9
61.98837	25.9
66.85771	2.7
69.03479	4.1
71.63332	3.2
83.05048	7.7
85.02986	4.7
89.98911	3.4
92.10085	7.0
97.06617	3.9
99.04514	3.3
109.02979	3.9
121.02978	21.3
123.04530	3.9
125.06105	6.0
151.01930	3.6
165.09180	4.4
209.15514	93.4
224.93755	3.3
237.15053	7.8
239.16631	4.1
251.16534	4.5
253.14526	100.0
253.17740	5.3
321.13824	6.1
365.12827	5.1
445.99896	4.3
508.21017	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	507.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57424	0.6
54.01963	0.5
57.03449	0.7
59.01385	100.0
61.98837	1.2
69.48418	0.6
78.95922	4.6
79.55228	0.6
83.05062	1.0
86.97331	0.6
87.04525	0.8
97.03053	0.8
97.06557	0.8
99.04568	0.7
114.39278	0.7
122.48911	0.6
138.91162	0.6
152.36272	0.7
152.99585	6.5
167.10773	1.2
191.14485	2.9
207.17358	0.8
209.15622	0.9
279.23328	19.3
356.28360	0.8
507.27322	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	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42494	8.1
61.26765	10.3
61.98833	100.0
69.41788	8.8
74.06435	8.7
75.77574	10.1
92.01897	9.4
93.57178	10.3
94.25631	9.9
95.74203	10.5
119.14444	9.1
152.20158	11.1
284.50732	11.5
311.43961	11.7
317.50986	11.3
374.60852	11.4
449.22415	11.5
501.87512	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	507.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61117	36.7
57.10642	39.9
62.95369	43.8
110.90931	36.7
117.82156	46.6
159.13371	41.6
170.70386	45.0
192.59340	41.9
237.18576	43.0
255.23347	100.0
337.59747	43.8
517.00677	44.9
526.00433	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	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20860	5.7
54.82306	7.5
57.03487	6.5
59.01405	6.3
79.77618	6.4
84.97459	7.3
87.75365	6.3
103.50698	7.0
112.53286	7.1
121.38180	6.2
125.49347	6.1
125.51502	6.5
136.92332	7.2
193.12366	14.1
209.15472	65.6
217.16008	100.0
222.51561	6.9
233.15509	54.2
251.16586	36.7
269.01715	8.1
308.75208	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	507.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25225	35.3
59.01388	100.0
76.57887	38.2
86.07686	48.0
88.42759	42.5
106.61589	53.0
110.38044	39.3
171.80914	41.4
181.12361	44.0
188.35115	47.5
204.69527	39.9
259.69336	45.2
287.09216	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61782	0.6
55.34502	0.6
57.03448	5.4
59.01375	16.6
61.98824	3.7
65.19525	0.7
69.03450	0.9
71.01374	3.5
73.02928	1.7
77.57484	0.8
81.03419	0.9
81.68880	0.6
83.05029	3.2
85.02950	4.1
96.95978	0.9
101.02431	1.9
108.02130	0.8
109.02955	7.8
111.04509	1.1
122.03738	1.7
123.04517	2.9
125.02424	8.4
135.04512	0.9
137.02429	41.7
138.03229	13.2
139.04019	1.1
139.11290	1.3
147.36302	0.7
149.06035	3.7
151.03989	1.3
151.07690	0.8
152.04735	1.6
164.16916	0.8
165.05534	1.6
169.12300	1.6
170.02156	1.8
179.07146	3.1
179.14403	45.5
193.12352	1.0
195.13963	1.1
195.17549	3.0
205.08690	0.9
221.11795	1.7
221.15364	1.1
239.12717	4.6
239.16521	100.0
240.16779	1.5
241.14278	1.1
253.14417	3.5
315.12570	2.5
330.14740	44.0
330.56714	0.8
345.17075	69.1
346.17368	3.5
429.24979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08099	0.4
57.03453	9.7
59.01384	12.5
61.98830	0.7
64.58243	0.4
69.03447	0.5
71.01366	0.7
71.23798	0.4
73.02957	0.5
75.09645	0.4
75.92171	0.4
81.14915	0.5
82.95449	0.5
83.05025	6.0
85.02941	0.5
85.06604	0.6
95.05023	0.6
97.02888	0.5
97.06598	3.1
99.04542	0.6
107.05068	0.6
109.06622	0.7
115.60442	0.4
121.02972	0.7
123.08167	2.4
147.04533	18.7
149.09663	0.4
151.11275	0.4
165.12854	1.0
166.06360	0.6
167.10771	4.3
168.11133	0.5
169.12352	0.6
181.08754	0.6
193.15979	52.0
194.16313	0.8
218.64578	0.4
219.13994	0.5
237.14983	100.0
238.15269	2.3
253.14394	0.8
262.63956	0.5
269.17551	2.0
324.20001	0.6
342.35251	0.5
400.66727	0.5
507.27847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2239
Annotation	Scutalpin F
Peak:m/z	Relative Intensity
52.14402	0.2
55.43449	0.3
59.01385	100.0
80.40659	0.3
85.02948	0.2
86.15752	0.2
92.66540	0.2
111.04416	0.3
119.33929	0.2
125.06084	8.5
151.07643	0.4
163.07658	1.0
163.37839	0.3
187.11317	0.4
219.09985	0.3
279.12357	0.3
405.19214	1.7
447.20093	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41287	0.9
55.01877	1.5
55.10329	1.0
56.64670	1.0
57.03452	1.3
59.01385	100.0
60.28971	1.0
66.86335	1.0
71.01381	34.0
73.02956	6.6
74.16141	1.3
74.39543	1.0
76.45164	1.1
83.01384	2.0
84.03522	1.1
85.02958	8.1
87.00881	1.6
89.02437	51.0
92.10134	1.5
99.00914	2.3
101.02436	24.6
113.02438	10.3
119.03510	8.9
131.02484	1.7
131.03494	23.1
149.04539	21.5
161.04439	1.9
179.05612	7.7
180.55832	1.1
189.88980	1.1
191.05675	11.8
194.63315	1.4
315.18045	5.1
447.22464	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	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.5
56.43242	1.3
57.03450	3.1
59.01380	100.0
61.98830	6.3
64.28923	1.2
67.36081	1.4
69.03459	2.4
70.00042	1.4
71.01382	47.5
72.99294	1.7
73.02949	25.9
83.01389	6.3
85.02956	27.3
86.00072	1.5
87.00871	7.2
88.98807	3.0
89.02437	18.3
95.01401	2.5
97.02940	1.7
98.88592	1.5
99.00898	7.3
101.02425	35.9
103.04015	2.7
113.02448	20.1
115.03999	6.9
119.03524	2.7
121.02955	3.2
125.02431	2.3
131.03484	27.3
141.28781	1.3
143.03473	11.4
153.09178	6.9
159.02977	1.8
161.04503	13.4
161.34398	1.4
163.06091	6.2
163.51671	1.6
181.08714	3.5
191.05437	1.4
205.07140	9.4
315.18149	46.2
328.13083	2.7
329.13254	2.4
330.14044	2.4
339.99277	1.7
343.15155	2.0
344.15817	3.4
345.16339	15.3
447.21994	16.4
507.17249	2.7
507.24432	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50465	0.9
55.42432	0.9
57.03447	1.1
59.01382	55.0
59.63564	1.0
61.98841	2.4
73.02934	1.1
75.00896	1.2
78.95895	22.7
83.05016	1.9
108.58736	0.9
108.66027	1.1
152.99590	34.4
161.02420	5.5
165.09184	1.9
171.17613	1.0
191.14418	1.5
192.14839	1.1
220.94728	1.1
221.15506	1.5
227.03168	1.7
234.72859	1.3
253.17923	1.3
271.15298	1.8
279.23328	100.0
280.23578	1.1
304.27878	1.2
318.17130	1.2
330.09799	1.2
448.14941	1.5
471.71274	1.1
504.35754	1.2
507.27286	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01383	35.1
61.98846	2.4
71.01395	4.3
71.05038	0.6
82.23540	0.7
83.05006	0.8
87.00838	0.7
95.04996	0.8
96.87138	0.7
97.02951	1.0
100.03965	0.6
111.08128	0.7
117.03463	21.2
121.02940	3.8
123.04524	0.8
137.09700	1.6
145.02960	83.2
147.04529	0.7
149.06067	5.1
151.11278	0.7
153.12840	10.8
163.03969	1.0
163.11229	0.8
165.12852	1.0
175.15009	0.7
178.85646	0.7
181.15938	2.8
186.42413	0.7
191.14452	5.7
209.15419	6.2
217.16025	6.6
224.92247	0.8
225.14996	28.6
235.16972	3.1
253.14519	5.4
271.15482	4.2
416.11404	0.7
441.36993	0.7
442.93887	0.8
447.25476	100.0
447.35016	2.6
448.26184	0.8
507.33270	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	507.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77349	0.5
55.30196	0.5
57.03443	4.9
59.01382	20.3
61.98836	1.3
69.03465	0.8
71.01393	1.0
71.05029	1.2
81.98932	0.5
83.05022	3.9
85.02988	0.6
85.06570	0.6
92.10079	1.1
95.05040	0.8
97.06602	1.1
99.04523	1.1
100.57919	0.5
102.55824	0.5
107.05009	0.6
109.06582	1.0
119.05035	1.0
121.02959	3.1
121.06592	0.8
123.08164	1.0
147.04529	100.0
153.09238	0.6
166.06342	6.6
167.10750	3.9
174.06656	0.6
181.08696	2.2
183.10468	0.6
191.14491	0.9
193.08633	0.5
193.15999	21.4
219.13943	0.8
237.14992	44.9
265.01642	0.5
325.10922	0.8
466.49255	0.6
507.35654	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	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78880	1.0
55.01899	2.4
57.03469	2.8
58.00613	1.4
59.01388	100.0
69.03478	1.3
71.01383	43.1
71.05046	1.5
72.99326	3.1
73.02947	9.6
73.74565	1.2
83.01405	5.3
85.02962	16.0
87.00875	2.1
89.02438	47.8
92.19918	1.3
95.05038	6.6
97.02979	1.9
97.06580	1.7
99.00866	13.7
101.02439	35.5
107.05038	6.6
113.02470	5.9
115.07652	2.9
116.92868	1.7
119.03474	1.7
120.05426	1.3
121.02901	1.8
125.02451	3.3
129.01930	6.2
131.03499	99.3
136.05246	2.0
139.11336	1.6
141.92691	1.4
149.04570	22.2
149.09705	1.8
151.11288	51.5
151.12477	2.5
169.12328	2.5
177.09186	5.6
185.11723	1.5
189.41492	1.5
191.05641	41.7
195.10286	53.7
213.11385	10.4
215.07092	1.5
240.85440	1.3
251.07716	1.9
268.47421	1.3
285.16983	1.7
345.13702	1.4
507.20956	17.4
507.28156	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	507.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
57.99466	0.6
59.01387	100.0
60.99319	0.7
61.05235	0.7
61.98862	0.9
71.01385	11.2
72.89169	0.7
72.99310	1.3
73.02942	3.1
74.60645	0.6
74.99101	4.2
75.00874	7.3
81.03466	0.8
81.81717	0.6
85.02950	5.4
87.00879	1.7
88.98807	2.8
89.02444	8.5
96.95982	1.0
97.02930	1.0
101.02452	6.9
101.21213	0.7
102.98606	1.2
113.02451	3.0
115.04041	0.9
116.92858	1.9
117.92848	1.1
119.03516	0.9
119.05009	1.2
121.02957	4.5
125.02436	1.5
129.01930	1.2
133.05080	0.9
136.99168	1.2
138.48593	0.7
145.02946	1.0
149.04535	0.9
151.03926	1.1
153.05655	1.0
159.02983	1.1
161.04562	3.8
163.03966	1.5
173.04514	0.8
181.05083	41.3
191.05527	1.5
195.05086	3.8
196.05475	3.2
196.07416	43.7
197.05531	3.8
211.09784	58.5
235.08195	3.1
283.04907	1.1
285.13177	0.8
285.17081	1.8
327.08557	1.0
447.17938	1.3
447.23013	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	507.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03455	10.9
59.01385	37.2
61.98845	5.0
67.01932	1.6
67.91757	1.4
71.01393	12.8
72.99349	1.3
73.02999	1.8
83.01439	1.8
83.05045	5.1
85.02943	10.7
87.00870	1.4
89.02463	4.7
93.03428	1.3
96.78622	1.2
96.95959	1.5
97.06625	1.7
101.02448	5.4
109.02966	8.6
111.08204	1.5
113.02444	2.1
119.03514	2.4
121.02981	1.3
122.03764	2.9
123.04550	2.9
125.02456	8.6
137.02448	56.6
137.03494	2.2
137.09750	1.7
138.03253	21.5
139.04033	1.5
139.11275	1.8
149.06107	7.5
151.07683	1.7
152.04895	4.6
165.05537	2.4
169.12280	1.9
170.02283	2.4
177.94087	1.3
179.07132	3.1
179.14427	35.4
193.12334	1.5
195.13864	2.2
195.17413	1.3
203.65208	1.2
205.08731	1.3
209.11877	1.8
215.10706	1.4
221.11847	2.9
221.15578	1.5
229.06078	1.5
239.12921	15.4
239.16562	82.0
253.14493	7.9
275.28564	1.5
305.58298	1.3
315.12314	5.2
330.14810	61.8
345.17139	100.0
429.25098	1.9
447.22696	2.0
507.22659	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	507.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03455	10.9
59.01385	37.2
61.98845	5.0
67.01932	1.6
67.91757	1.4
71.01393	12.8
72.99349	1.3
73.02999	1.8
83.01439	1.8
83.05045	5.1
85.02943	10.7
87.00870	1.4
89.02463	4.7
93.03428	1.3
96.78622	1.2
96.95959	1.5
97.06625	1.7
101.02448	5.4
109.02966	8.6
111.08204	1.5
113.02444	2.1
119.03514	2.4
121.02981	1.3
122.03764	2.9
123.04550	2.9
125.02456	8.6
137.02448	56.6
137.03494	2.2
137.09750	1.7
138.03253	21.5
139.04033	1.5
139.11275	1.8
149.06107	7.5
151.07683	1.7
152.04895	4.6
165.05537	2.4
169.12280	1.9
170.02283	2.4
177.94087	1.3
179.07132	3.1
179.14427	35.4
193.12334	1.5
195.13864	2.2
195.17413	1.3
203.65208	1.2
205.08731	1.3
209.11877	1.8
215.10706	1.4
221.11847	2.9
221.15578	1.5
229.06078	1.5
239.12921	15.4
239.16562	82.0
253.14493	7.9
275.28564	1.5
305.58298	1.3
315.12314	5.2
330.14810	61.8
345.17139	100.0
429.25098	1.9
447.22696	2.0
507.22659	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	506.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51518	0.7
55.07713	0.9
59.01381	7.7
59.20392	0.8
60.49061	0.8
61.98832	100.0
68.47343	1.0
90.01959	0.9
92.10122	1.5
105.87903	0.9
161.83160	0.8
180.75534	1.0
220.32555	1.1
237.32118	0.9
242.43666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
59.01395	3.6
70.93903	0.6
71.01392	1.4
72.99313	1.6
73.02940	1.3
75.00875	11.2
85.02970	4.2
87.00874	27.0
87.01366	1.1
89.02364	0.7
99.00896	4.3
101.02440	1.6
105.01938	23.8
107.40789	0.7
108.02184	86.2
109.02964	29.9
109.03688	1.4
117.01930	0.8
117.16149	0.7
129.01924	1.1
147.03030	4.0
151.03999	1.0
152.01167	67.9
152.36902	0.7
153.01958	25.4
163.04019	1.1
165.01862	2.2
165.04050	85.1
188.68469	0.7
191.05634	11.7
275.66473	0.8
315.07281	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	507.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90573	0.5
59.01389	2.0
64.07169	0.4
67.05514	3.9
69.03451	0.8
71.04999	0.8
72.99299	14.3
79.85659	0.5
85.02927	0.9
85.06580	7.4
87.04495	3.1
89.02446	0.7
91.33404	0.5
96.96000	35.3
98.95583	0.7
99.04493	3.8
101.06068	85.4
108.02177	6.2
109.02944	1.9
111.04521	1.0
115.04000	35.5
116.55960	0.5
116.60457	0.5
129.05565	24.6
145.05052	8.1
147.06676	0.6
152.01114	6.8
153.01889	2.0
173.04462	0.8
178.32243	0.5
191.05611	100.0
194.27898	0.6
225.89967	0.5
286.54291	0.5
315.07233	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03462	1.8
59.01381	68.2
66.63520	0.9
71.01372	35.6
72.99299	2.1
73.02953	2.3
85.02937	8.8
87.00867	1.0
88.98796	1.8
89.02428	34.6
96.95992	2.5
101.02423	14.5
113.02431	10.6
116.92816	1.5
119.03480	10.8
121.02927	18.9
122.03727	2.3
125.02393	1.4
135.04497	7.7
146.03719	100.0
151.00357	1.2
156.98906	1.0
159.42575	1.0
161.02412	4.5
161.04764	2.2
161.06058	63.5
165.05521	5.2
166.06331	35.5
167.07120	40.6
179.05591	5.3
247.75203	1.1
249.32304	1.0
250.12140	1.0
259.37128	1.1
269.08148	1.2
284.10416	1.4
285.17050	6.4
297.07529	1.7
312.10089	5.2
327.08847	4.5
327.12375	57.8
327.21408	1.0
342.10992	4.6
345.22583	1.7
357.13419	8.7
447.22449	6.4
507.28473	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	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87019	0.7
58.00594	1.0
59.01376	43.4
64.51704	0.9
71.01376	23.5
72.99310	1.2
73.02953	5.5
80.05853	0.8
80.61751	1.0
83.01380	1.6
85.02957	7.1
87.00893	5.4
88.98814	6.1
89.02427	21.2
91.05574	1.2
96.96030	3.7
101.02425	12.1
107.05032	1.1
109.02956	1.2
113.02435	10.5
119.03487	12.2
119.05009	1.1
121.02940	15.2
122.03786	1.8
131.03452	2.3
134.03729	52.7
135.04512	6.0
137.07608	1.2
143.03546	1.7
145.02933	4.1
146.03732	100.0
147.04530	18.3
148.05298	2.1
149.04671	3.8
149.06065	38.2
151.00380	2.4
161.04707	2.6
161.06052	29.8
162.03174	4.1
163.04019	1.6
164.04774	53.3
167.07120	19.2
175.55278	0.9
177.05592	1.4
179.05591	15.5
179.07097	97.6
181.12291	1.3
195.10214	1.6
228.93486	1.1
271.02417	1.3
273.02991	1.9
285.03934	1.3
285.17120	7.6
300.02823	1.4
301.03122	1.6
302.03320	1.3
329.12317	15.6
345.13431	1.6
477.17722	12.5
489.17618	11.6
507.11575	1.8
507.19284	6.6
507.27344	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	505.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82635	0.7
56.80246	0.7
57.03453	21.6
57.03888	0.8
59.01385	3.4
61.98863	0.7
63.24539	0.6
63.67038	0.6
79.86673	0.7
83.98203	0.7
97.06580	12.6
98.05939	0.8
99.63926	0.8
114.32475	0.8
125.09728	5.6
137.09698	1.7
175.14917	8.3
189.16513	3.9
191.14406	3.6
207.17569	100.0
208.17824	0.9
225.18538	1.5
237.14926	1.4
251.16554	27.3
299.33020	0.8
393.19727	0.8
412.45142	0.8
506.21060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	22.1
59.01387	20.3
59.34115	0.7
61.98846	1.6
62.76907	0.7
69.03473	1.4
71.01388	1.3
71.05046	1.0
73.02971	0.9
73.39709	0.8
74.84331	0.9
83.05026	2.0
85.02950	1.2
88.93102	0.9
95.05035	1.4
97.06585	6.9
100.14267	0.9
109.06631	0.9
111.08179	3.4
123.04527	1.1
123.08175	1.0
125.09704	13.0
135.08179	1.0
137.09717	13.0
139.11281	1.4
140.57930	1.0
151.11295	1.8
153.12852	24.1
163.11276	1.1
165.12883	3.6
177.03333	0.9
177.37520	1.0
191.14450	6.9
207.17561	100.0
251.12648	1.1
251.16536	37.3
253.17979	1.1
349.95486	0.9
505.31635	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	506.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44077	1.0
56.67223	1.1
61.98835	100.0
67.49051	1.0
103.90205	1.2
108.01208	1.0
111.69583	1.1
144.21495	1.2
151.53307	1.2
253.07324	1.2
363.50018	1.5
382.11951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49889	0.9
53.76176	0.9
53.76516	0.8
54.30864	1.0
55.01883	8.1
57.03456	2.8
59.01383	37.4
61.98835	2.3
65.18180	0.9
65.67265	1.2
71.01378	35.5
72.99329	1.8
73.02943	14.3
75.00894	1.1
75.68481	1.0
81.88856	1.2
83.01387	11.0
83.05026	1.4
85.02949	21.9
87.00887	1.4
89.02430	1.3
93.07095	10.2
95.01414	2.3
99.00866	7.7
101.02435	30.9
111.00895	7.4
113.02463	12.4
129.92696	1.2
159.02966	1.7
161.04572	7.7
165.05597	1.3
207.69054	1.2
213.18616	5.2
251.13251	1.1
251.16531	10.0
343.15448	6.1
343.28619	1.8
375.23938	12.6
505.33966	100.0
506.34702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.3
56.27051	0.9
57.03462	7.1
57.81802	1.0
58.00615	2.3
59.01385	100.0
61.98832	2.7
69.03477	1.2
71.01382	71.1
71.01775	2.4
72.99329	5.8
73.02939	15.5
77.19698	1.2
83.01408	7.0
85.02952	32.4
89.02441	41.6
89.21485	1.4
93.07082	2.0
95.01387	9.8
95.05048	1.5
97.06576	1.5
99.00893	5.6
101.02447	47.6
101.03102	2.3
113.02454	24.3
113.03152	1.7
119.03498	20.7
131.03497	1.5
143.03558	1.8
159.02989	1.8
161.04562	17.8
163.11197	1.6
174.43875	1.3
179.05608	7.5
183.75427	1.2
191.14453	8.5
213.18620	5.9
235.13452	22.7
343.28537	7.6
417.97842	1.3
505.28241	2.6
505.33972	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26161	1.2
54.82522	1.5
57.03447	3.7
58.08816	1.5
58.48374	1.2
59.01377	49.9
59.01651	2.7
61.98834	7.6
62.46661	1.1
63.16242	1.3
66.06291	1.4
71.01385	8.1
71.32424	1.5
73.02945	3.7
83.01423	1.8
83.05015	3.8
84.59829	1.5
85.02950	8.9
89.02421	2.6
95.05028	3.6
99.30438	1.6
101.02437	10.0
109.06609	1.4
111.04507	7.5
113.02454	2.2
121.02984	1.6
137.02466	1.7
141.99742	1.5
142.72371	1.5
151.11145	1.5
154.29254	1.4
163.14816	3.0
189.12851	6.7
207.13901	43.4
217.98868	1.7
237.14972	9.3
251.12872	100.0
251.16492	13.9
287.44144	1.8
343.15247	2.4
370.99683	1.7
505.33884	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	505.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43778	0.7
57.03452	2.0
59.01387	22.8
60.68667	0.8
61.98836	3.8
62.87928	0.9
66.21076	0.8
71.01380	4.1
71.93002	0.7
73.02966	1.4
73.74687	1.1
83.05047	1.7
84.02195	0.9
86.59835	1.0
88.06686	0.8
95.05000	1.0
96.06753	1.0
97.06591	1.0
101.02468	2.0
105.07127	1.1
107.05020	1.1
109.06607	1.1
111.04536	1.7
111.08186	1.1
121.02978	1.0
121.06557	1.3
123.04581	1.1
125.06146	1.9
139.11327	1.0
141.12930	0.9
149.06091	9.4
153.48801	0.9
161.13338	1.4
163.14929	2.1
181.12311	1.0
189.12914	6.3
205.16034	3.6
207.11963	1.8
207.13928	59.5
251.12889	100.0
251.16533	77.6
257.04761	1.3
295.09567	1.3
305.44519	0.9
328.13275	13.8
343.15500	15.7
445.24408	1.5
505.34247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90507	0.5
57.03454	9.0
59.01389	7.3
61.98843	1.9
62.55889	0.5
68.84271	0.5
69.03481	1.1
70.36015	0.5
71.05026	1.2
72.96268	0.5
82.07772	0.6
83.05013	4.5
85.02972	1.1
85.06610	0.6
90.07731	0.6
95.05045	0.7
96.94081	0.6
97.06588	3.9
99.04517	0.7
107.05013	0.6
109.06626	0.7
111.08196	0.7
123.08136	1.4
125.06070	0.6
135.08221	0.9
167.10738	1.4
175.14925	0.9
179.10768	0.8
193.15988	51.7
219.13864	1.3
237.14980	100.0
283.15500	2.4
301.21637	1.0
341.86691	0.6
478.70743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58077	0.4
56.55447	0.4
56.55752	0.4
57.03464	0.8
59.01388	7.5
61.98834	3.4
64.16125	0.4
65.01994	0.4
71.01382	0.7
73.02914	0.5
83.05045	0.7
84.78200	0.4
85.02969	0.8
96.71038	0.4
107.05072	0.4
109.06587	1.6
111.08173	0.7
123.08176	0.5
139.07648	0.9
151.07677	0.7
189.12869	0.5
201.99821	0.4
205.15999	0.9
207.13925	4.9
207.17603	2.9
251.12921	4.1
251.16534	100.0
252.16818	0.8
392.10684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.2
59.01389	4.6
61.98829	1.7
65.37177	0.2
69.03453	2.0
71.01385	1.4
71.05035	0.3
73.02956	0.4
83.05058	1.1
83.36347	0.2
85.02962	0.5
85.06590	0.2
94.24395	0.2
95.05029	0.5
97.06606	0.5
109.06618	0.3
111.04506	0.4
113.02438	0.3
123.08176	1.0
125.06090	1.5
125.09743	0.6
132.26987	0.3
135.08128	0.4
137.09721	0.5
151.11426	0.3
153.09169	0.4
163.07623	0.3
177.12730	0.3
179.14514	0.5
191.14461	0.5
195.13939	0.4
205.16006	1.1
207.13908	0.5
207.17537	1.3
209.15486	0.3
233.15506	1.2
234.59749	0.3
251.16553	100.0
252.16939	1.3
257.21262	1.3
281.69901	0.3
337.89279	0.3
419.26526	1.0
461.27615	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	505.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.2
59.01389	4.6
61.98829	1.7
65.37177	0.2
69.03453	2.0
71.01385	1.4
71.05035	0.3
73.02956	0.4
83.05058	1.1
83.36347	0.2
85.02962	0.5
85.06590	0.2
94.24395	0.2
95.05029	0.5
97.06606	0.5
109.06618	0.3
111.04506	0.4
113.02438	0.3
123.08176	1.0
125.06090	1.5
125.09743	0.6
132.26987	0.3
135.08128	0.4
137.09721	0.5
151.11426	0.3
153.09169	0.4
163.07623	0.3
177.12730	0.3
179.14514	0.5
191.14461	0.5
195.13939	0.4
205.16006	1.1
207.13908	0.5
207.17537	1.3
209.15486	0.3
233.15506	1.2
234.59749	0.3
251.16553	100.0
252.16939	1.3
257.21262	1.3
281.69901	0.3
337.89279	0.3
419.26526	1.0
461.27615	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	505.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15357	0.5
53.76843	0.5
55.01884	0.6
57.03473	0.8
57.43801	0.5
58.00608	0.9
59.01385	100.0
61.12236	0.6
70.16577	0.5
70.37561	0.6
71.01381	18.2
71.04678	0.5
71.05029	1.6
72.99309	1.1
73.02966	1.0
73.07928	0.5
75.00874	3.5
83.01382	0.8
85.02963	4.8
87.00865	1.4
89.02438	25.7
95.01390	0.9
96.96002	6.1
101.02429	9.6
105.33956	0.6
113.02450	6.5
119.03499	7.5
120.99688	1.2
125.02457	1.3
129.01892	0.9
129.47807	0.8
131.03542	0.9
143.03520	1.4
145.02962	2.5
149.04573	1.5
152.00740	0.8
158.05711	0.8
161.02411	0.8
161.04593	3.4
175.89636	0.7
178.48112	0.7
179.05605	9.5
195.05124	3.8
195.06697	0.9
197.11830	2.9
215.09299	1.4
227.07149	1.3
235.13521	0.7
241.10843	4.6
255.10347	3.1
283.15549	3.0
328.85068	0.7
445.20987	9.9
505.13235	0.7
505.22940	1.0
508.45706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62799	0.7
55.26313	0.7
57.03452	1.6
58.00592	1.0
59.01377	100.0
71.01379	20.1
71.05023	2.0
72.99307	1.6
73.02959	4.6
75.00860	2.2
85.02935	6.4
87.00880	4.2
89.02434	29.9
92.10724	1.4
95.01397	1.1
96.96001	9.1
101.02431	13.7
113.02438	9.7
119.03500	10.2
119.05014	6.0
125.02452	1.7
131.03488	2.2
135.04521	1.2
143.03465	3.7
145.02940	1.9
151.04005	1.0
161.04501	3.8
179.05591	8.5
179.10710	1.1
179.62808	0.9
195.05066	5.0
197.11833	4.6
201.07642	1.0
215.09210	1.3
241.10725	10.6
255.10289	1.9
283.15482	4.8
445.17038	9.7
445.21548	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	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03442	0.8
58.00592	1.0
59.01384	100.0
69.03454	0.5
71.01382	32.9
72.99319	0.9
73.02944	7.3
83.01391	3.1
85.02955	9.2
87.00848	0.4
89.02440	50.2
99.00875	5.5
101.02433	24.3
110.25312	0.4
113.00407	0.5
113.02473	6.5
119.03472	3.7
121.03011	0.4
122.68724	0.5
125.02441	2.0
129.01924	2.4
131.03500	41.9
149.04564	23.8
161.04556	0.7
182.75484	0.5
191.05630	23.7
191.07346	1.0
212.59915	0.4
221.06795	0.9
237.20714	0.5
242.33560	0.5
251.07755	0.7
283.15509	0.9
311.10165	0.6
312.37308	0.5
313.16650	0.7
343.11942	0.8
343.15506	3.3
346.08163	0.5
358.14166	1.0
373.16476	2.7
438.20645	0.5
445.20731	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	505.2583
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.78958	0.6
57.03462	2.6
58.02959	0.5
58.57825	0.6
59.01386	17.5
61.98841	0.9
62.11728	0.5
68.60302	0.6
69.03462	0.9
71.01398	1.0
71.05055	0.8
75.60137	0.5
78.95901	32.1
82.95430	1.1
83.05048	2.6
85.02937	0.7
85.06589	0.9
92.10799	1.3
93.03452	0.7
96.96960	3.0
107.04991	0.7
109.06628	1.1
117.23257	0.6
123.08170	0.8
127.07601	0.6
130.34221	0.7
137.02484	4.7
137.09702	0.7
138.22220	0.6
149.09798	0.6
152.98361	1.6
152.99599	41.4
163.11223	0.8
165.05666	0.6
167.10736	0.7
171.00658	2.5
189.12828	1.2
191.14413	9.9
193.12067	0.8
193.15884	0.6
207.13931	1.5
209.15471	3.2
211.94443	0.6
211.96497	0.6
215.14272	1.0
216.47148	0.7
219.13977	0.7
227.03313	4.6
233.15437	1.2
235.17062	0.9
245.04340	0.8
251.13107	0.7
253.18152	1.0
269.17606	3.5
277.21744	100.0
319.73843	0.6
341.41885	0.7
355.33298	0.7
368.20166	0.6
413.21149	1.0
505.25876	57.2
505.32257	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	505.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52797	0.7
54.94069	0.6
59.01379	0.9
66.37138	0.7
71.01379	1.5
73.10396	0.7
78.71024	0.7
85.02998	0.9
92.70529	0.8
108.02188	1.5
108.52399	0.7
109.02944	7.4
111.00900	0.8
115.28310	0.7
123.00881	12.9
123.04524	1.1
124.01674	8.1
125.44767	0.8
134.03709	1.2
136.01662	54.4
137.02477	9.7
142.01012	0.7
148.05307	0.9
149.06068	6.8
151.04018	66.8
160.05305	1.5
161.06023	1.2
163.07642	1.7
164.04878	1.6
165.05568	12.6
175.07657	8.0
176.08444	3.5
186.06950	0.9
188.04765	0.9
191.07239	5.9
203.07170	1.7
244.21024	0.8
285.34845	0.9
295.09833	3.7
310.12152	4.0
313.10593	1.0
325.14465	4.0
328.13278	18.4
343.15576	100.0
344.15866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.7
57.03448	1.6
58.00601	0.9
59.01387	100.0
71.01385	47.4
72.99331	1.3
73.02949	15.5
76.17361	0.9
82.35009	1.0
83.01409	6.2
85.02953	18.6
87.00925	1.4
88.98782	1.2
89.02445	33.6
89.02998	1.3
97.02950	1.0
99.00895	5.1
101.02443	35.3
113.02450	15.0
119.03481	4.4
121.02935	7.5
122.03745	5.8
123.04506	1.8
125.02484	1.5
131.03510	30.4
149.04550	14.3
160.44272	1.1
161.04594	9.8
161.05939	1.2
190.06392	1.2
191.05653	11.2
191.07167	2.0
207.49312	1.2
251.07788	1.3
313.16605	43.0
328.13171	21.9
343.15552	52.4
445.20813	26.2
445.95642	1.1
460.07791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39130	1.6
55.01860	3.1
57.03458	1.5
59.01375	100.0
60.19648	1.4
60.89381	1.6
64.34485	1.6
71.01368	47.4
73.02934	13.9
74.04614	1.3
79.34299	1.8
81.52985	1.6
83.01393	10.7
85.02943	21.8
89.02421	33.7
99.00882	6.4
101.02428	39.4
109.02925	2.7
111.28114	1.8
111.95705	1.7
113.02429	18.5
120.64686	1.9
121.02920	11.6
122.03719	9.0
123.04516	2.8
124.72090	1.7
125.02390	1.8
131.03477	36.6
135.04536	2.1
149.04536	14.0
159.02994	2.2
161.04507	15.5
161.05913	3.3
163.03987	3.1
166.73448	1.6
176.47356	1.6
190.06256	2.2
191.05560	12.1
191.07111	6.1
213.32379	1.5
249.10742	1.6
250.34534	1.6
272.83533	2.1
313.10962	2.3
313.16550	42.8
328.13116	32.1
335.29739	1.7
343.15494	92.2
375.94528	1.8
383.05811	2.0
412.10461	2.0
445.20755	36.7
485.07678	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	505.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
70.89568	0.7
71.01386	14.9
72.99315	1.6
73.02961	4.1
75.00886	1.0
81.03468	0.9
83.01419	0.9
85.02959	5.2
88.98817	4.8
89.02446	16.7
94.53442	0.7
96.96004	10.2
97.02972	1.1
97.39632	0.8
98.95609	8.2
98.96449	1.0
99.00929	1.1
101.02423	10.4
103.04021	1.7
105.59435	0.7
106.04338	0.8
113.02475	4.1
119.03502	5.0
121.02966	1.0
125.02426	4.3
130.32886	0.8
133.37857	0.9
137.06094	8.1
151.03995	1.8
163.06094	3.2
175.11270	10.9
265.14502	30.6
307.10397	4.5
431.99969	0.9
445.14612	1.9
445.20850	42.6
505.23550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.9
60.99313	20.0
60.99613	0.8
65.00352	3.5
65.93401	0.6
69.67062	0.5
71.01390	6.7
75.00881	3.8
83.01406	1.1
85.02955	0.8
88.98807	100.0
89.02454	6.9
89.10201	0.5
91.01911	0.9
93.03475	2.5
101.02447	1.0
107.01409	4.8
113.02457	0.7
116.92870	5.5
121.02962	1.1
123.04519	1.1
125.02441	3.6
126.02789	0.7
129.01976	1.0
131.03502	0.8
135.66730	0.5
137.02409	0.8
151.00389	12.0
151.04041	16.3
152.00706	4.8
152.04387	1.1
153.00865	4.0
153.04541	0.6
178.51360	0.6
195.05151	3.4
206.33247	0.5
285.04031	2.4
286.04431	2.8
287.04626	6.9
293.08777	1.1
423.29077	0.9
445.20557	0.7
467.11023	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	505.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
58.00596	0.8
59.01384	100.0
69.03453	5.2
71.01381	34.4
72.99317	1.7
73.02946	12.2
81.03471	3.8
83.01410	3.0
85.02944	11.8
87.00882	1.4
88.98807	2.6
89.02444	21.4
89.86263	0.7
95.01379	1.5
96.96006	11.0
97.02947	6.7
98.95596	9.4
98.96428	0.8
99.00889	2.5
100.04292	0.7
101.02441	19.7
103.04008	11.3
113.02454	4.1
119.03513	7.4
119.05000	3.1
122.17809	0.7
125.02437	15.0
127.04019	0.7
137.06090	38.5
143.03516	1.4
145.05035	1.3
149.04539	0.9
151.04019	3.3
163.06114	13.5
175.11255	4.4
247.08185	3.7
265.14493	13.7
307.10446	21.6
445.20911	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	505.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03456	2.7
58.00603	1.4
59.01376	71.4
69.03468	1.2
71.01370	30.8
72.40507	0.5
72.99317	3.5
73.02935	31.4
75.00872	1.0
81.03455	0.6
83.01397	2.7
85.02935	13.2
85.03393	0.7
86.00092	1.1
87.00860	12.3
87.01353	0.5
87.04494	4.7
89.02430	24.9
93.03421	0.6
95.01394	0.7
96.95983	6.9
97.02906	1.0
99.00854	1.3
99.04539	1.0
101.02431	27.2
101.03092	1.3
103.03990	10.9
103.04525	0.6
113.02432	5.6
115.04013	8.1
119.03522	9.9
119.05003	29.9
121.02985	0.6
125.02425	3.8
127.03952	0.6
131.03482	13.8
137.06058	2.6
141.01869	0.6
141.09157	0.7
143.03494	16.2
145.05067	4.9
163.06111	12.0
167.03511	0.6
191.24507	0.6
195.05116	3.2
205.07170	16.3
209.15337	0.8
283.15515	1.3
299.11353	2.3
318.80301	0.6
365.98026	0.6
445.17114	100.0
446.17511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
61.65953	0.2
68.52898	0.2
71.01399	0.8
73.02979	0.3
74.37655	0.2
85.03000	0.3
93.03499	1.0
101.02466	0.3
109.02940	3.2
113.02438	0.2
121.02953	13.9
122.03743	9.7
122.57657	0.2
123.04525	4.5
124.01723	0.2
128.36423	0.2
135.04549	2.1
136.05351	1.4
137.02461	0.7
147.04568	0.4
149.06090	1.2
154.02728	1.0
161.04703	0.3
161.06088	3.5
163.04013	3.1
173.06064	0.9
177.05504	0.3
189.05574	1.0
190.06392	2.8
191.07162	5.9
203.07166	0.7
239.07225	0.4
240.07849	0.4
256.52008	0.2
264.61606	0.2
283.09683	0.2
299.12839	2.7
308.63907	0.2
313.10861	3.3
327.12405	1.2
328.13217	40.5
329.13733	0.7
332.46902	0.2
343.15552	100.0
344.15970	2.3
375.75406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
58.43320	1.2
59.01386	18.6
61.98846	8.0
67.05102	1.4
67.05463	1.3
71.01405	7.7
73.02953	1.5
75.90572	1.4
82.43432	1.7
83.05045	3.2
85.02961	1.7
87.00891	2.1
88.98799	1.9
89.02486	2.9
95.01424	1.6
96.96028	1.9
97.82689	1.6
100.54272	1.5
101.02437	1.7
105.01251	1.6
108.02178	1.4
109.02941	2.2
109.06705	1.8
113.02406	1.6
123.00967	1.8
134.03764	3.7
135.04556	2.6
136.01671	78.6
137.02461	7.6
139.11462	1.9
149.06105	6.8
151.04021	100.0
151.29765	1.6
163.07695	2.2
165.05708	1.8
166.77721	1.5
175.07658	13.5
176.08406	3.2
187.89568	1.4
189.12932	3.2
209.15402	1.8
239.16524	18.5
251.12886	3.2
251.16522	13.1
253.14386	6.3
265.14575	9.5
295.09756	7.2
304.70395	1.7
310.12177	7.8
324.88855	1.8
325.14532	9.0
343.15576	93.8
344.16144	2.1
384.23468	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	503.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.9
57.03462	3.4
59.01385	100.0
65.90527	0.6
71.01382	51.0
72.99323	1.6
73.02942	18.3
83.01392	11.0
85.02952	33.2
85.03454	1.5
87.00882	1.3
89.02451	6.6
95.01405	3.7
97.02977	1.0
99.00872	9.7
101.02439	51.9
111.00893	0.7
113.02460	21.3
116.68680	0.8
125.02386	1.1
129.01964	1.0
131.03517	26.6
131.04451	1.4
143.03459	1.0
159.03047	4.8
161.04578	22.9
174.50908	0.8
311.15057	94.9
443.19244	27.5
510.65469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.4
59.01388	77.7
63.48978	1.4
65.45768	1.4
71.01386	6.1
73.07628	1.8
89.02444	1.6
96.96012	100.0
96.96973	3.4
98.95618	14.2
98.96364	1.4
101.03313	1.6
102.85236	1.5
161.04576	2.3
168.62277	1.6
210.49518	1.8
218.62764	1.9
281.14020	34.7
287.64786	1.7
300.68225	1.7
305.70807	1.7
503.21509	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	503.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83396	0.8
55.01890	1.0
57.03453	1.6
57.52384	0.9
59.01392	100.0
61.98842	9.1
71.01385	2.3
72.99304	1.2
73.02945	1.5
81.03481	2.0
83.05045	5.7
95.05000	1.3
97.06582	1.1
99.04525	2.2
109.06629	1.2
125.06136	1.1
125.36818	0.9
132.75694	1.1
149.06116	1.0
213.35640	1.1
235.13472	1.2
251.16525	1.9
399.14240	1.1
436.27603	1.2
457.32056	1.0
459.26263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34411	0.6
52.64970	0.5
55.19924	0.6
57.03460	8.8
59.01384	10.3
61.98843	9.1
69.03455	1.2
71.79604	0.6
73.02938	0.8
73.10416	0.5
73.64229	0.6
81.03458	0.8
82.19184	0.7
83.05027	1.6
83.73085	0.7
84.43636	0.6
85.02967	0.8
85.06605	0.6
89.21773	0.6
93.03465	0.7
95.05029	0.9
97.02934	1.0
99.04528	1.5
123.08204	0.8
125.09707	0.7
127.07669	1.0
134.70987	0.7
137.09669	1.4
151.70966	0.6
171.04907	0.6
179.10712	1.4
181.12405	0.7
181.94472	0.7
189.12851	4.3
191.14426	32.7
207.17519	4.7
209.13803	0.7
217.39056	0.7
221.15724	0.8
233.15407	9.5
249.14999	1.7
251.16537	100.0
252.16800	1.6
342.15921	0.8
510.22488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Yardenone A
Peak:m/z	Relative Intensity
55.01900	3.7
57.03454	45.1
59.01388	32.8
69.03461	30.4
71.05022	27.2
81.07137	5.2
83.05024	100.0
85.02955	5.5
89.80783	3.5
95.79533	5.2
97.02963	4.4
97.06606	5.8
121.06597	7.3
123.08144	19.7
125.06065	17.0
125.09708	56.6
131.09097	5.0
134.02187	4.7
134.05045	4.2
135.08080	5.1
137.09712	5.6
141.90123	3.7
149.09654	6.5
154.13264	3.6
161.27646	4.8
163.11235	6.4
165.12799	6.6
175.11397	8.4
177.12874	5.3
179.10854	5.8
179.14442	4.9
189.16531	34.4
191.14420	50.6
193.15962	4.0
195.13989	9.8
203.14268	4.6
205.15974	27.3
207.17497	9.8
209.15526	19.2
219.14082	5.7
223.17097	5.0
233.15508	8.1
235.17130	4.4
237.15022	4.4
249.14868	6.5
251.16507	23.2
253.14404	4.8
253.18150	5.8
267.16016	27.0
502.05515	4.3
503.34372	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01386	4.2
61.98837	1.4
69.03444	1.0
83.05035	6.6
83.37035	0.3
92.10240	0.6
117.90484	0.3
149.09740	0.3
149.77246	0.3
151.11319	0.4
162.52429	0.3
163.90411	0.3
178.05811	0.3
184.73683	0.3
187.15031	0.5
189.12950	0.4
194.24832	0.3
203.14426	0.3
205.16014	4.4
207.17624	2.1
218.29268	0.3
249.14989	100.0
250.15347	2.7
250.17773	0.3
251.16591	10.5
503.30792	0.3
506.78329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34560	0.4
55.01902	0.7
56.47795	0.4
57.03466	4.2
59.01392	21.3
61.98853	0.8
63.64597	0.4
71.01385	11.1
71.01713	0.6
71.12465	0.5
72.99330	3.5
73.02965	3.5
75.00874	59.4
83.01411	2.3
85.02953	6.7
87.00887	7.4
88.98802	0.6
89.02448	8.5
89.28498	0.5
92.10208	0.6
93.03455	2.2
96.96022	1.0
97.03030	0.5
99.00889	5.7
99.92586	1.3
101.02435	5.1
108.89366	0.5
111.00909	3.3
113.02491	2.5
116.92861	29.7
116.95293	0.5
117.01955	0.9
117.92873	0.8
119.03570	1.1
119.05023	20.2
120.99661	1.2
123.04533	1.0
125.02464	2.4
126.39362	0.6
128.51984	0.5
129.01930	18.1
129.02823	0.9
141.01932	4.3
151.04015	0.8
159.03001	9.2
161.04591	1.0
163.04013	12.1
177.04019	4.0
181.02928	0.6
195.05115	100.0
200.86871	0.6
211.07680	7.0
237.09172	0.9
245.51192	0.6
265.08768	0.8
283.09781	1.2
283.15598	2.9
299.55228	0.6
313.13095	3.6
327.08722	9.6
334.85953	0.5
445.20886	2.4
505.13599	3.2
529.69763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83027	0.7
58.99598	1.1
59.01379	13.8
61.29000	0.8
63.60409	0.6
71.01381	7.6
72.44007	0.8
73.02941	4.1
76.58205	0.8
77.59412	0.7
85.02960	3.2
87.00867	17.8
88.98801	1.6
89.02444	6.1
92.10138	1.1
94.47004	0.7
96.96007	6.9
97.02930	0.9
101.02429	4.2
102.98577	0.9
110.49032	0.8
111.04532	0.9
113.02454	1.2
122.03787	1.1
135.08189	1.3
149.09683	3.4
161.09685	3.9
163.11284	6.9
181.10587	1.2
187.14906	5.9
189.12857	6.8
203.14362	5.0
209.10028	8.7
213.12859	9.5
216.11571	12.2
219.05081	14.4
231.11610	0.9
231.13904	36.8
247.11597	14.8
283.13733	100.0
311.15076	3.4
347.24377	1.2
419.56552	0.8
443.19119	3.1
445.86249	0.9
448.49286	0.9
461.45862	0.9
503.19464	24.7
503.24670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27017	0.6
59.01387	100.0
62.80598	0.7
65.04169	0.7
70.31994	0.7
71.01405	4.8
71.05052	3.0
73.02957	1.6
84.93291	0.7
85.02991	1.8
101.02460	1.8
109.06571	1.0
110.10277	0.7
113.02440	1.6
119.45823	0.7
147.11842	1.4
159.02974	1.1
161.04578	8.1
163.11263	1.5
173.09776	1.0
182.45317	0.8
189.12886	5.1
219.13841	1.5
251.12857	1.1
281.13986	44.3
343.61249	0.8
358.39755	0.9
443.19113	0.9
467.70343	0.9
503.21527	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	503.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.33315	0.1
61.98827	0.3
71.01379	0.9
73.02930	2.2
73.35632	0.2
75.00885	0.2
75.25076	0.1
85.02928	0.2
87.00895	0.2
89.02433	0.6
93.03439	0.7
96.96053	0.2
99.00879	0.9
99.92579	7.7
101.02437	0.3
113.02372	0.2
116.92857	100.0
117.01939	3.8
117.05584	0.2
117.92879	1.2
129.18726	0.2
156.61795	0.2
191.05600	0.3
192.05876	0.2
215.09218	0.2
227.07164	2.7
274.92566	0.2
281.13574	0.2
328.09232	0.2
329.09662	0.2
376.36768	0.2
433.07550	0.2
510.48160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96978	0.1
57.03445	0.2
59.01384	2.6
60.10885	0.1
69.87814	0.1
70.39836	0.1
71.01395	0.4
73.02935	0.1
73.05437	0.1
78.95900	0.7
79.95728	1.8
85.58528	0.2
87.98698	0.1
89.02458	0.3
92.65836	0.2
96.96008	100.0
101.02409	0.3
113.02520	0.2
114.93405	0.4
116.92818	0.3
119.01274	0.1
138.13039	0.2
139.11292	1.1
158.29361	0.2
178.44133	0.2
181.12379	0.2
183.10287	1.3
199.13486	0.3
243.12428	4.0
293.42258	0.2
301.02982	0.2
302.03473	0.2
405.17477	1.3
442.43677	0.2
443.19122	1.5
465.09604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
65.94096	0.1
66.43210	0.1
78.95905	2.0
79.95744	1.5
96.96008	100.0
96.96994	3.0
145.90140	0.1
290.91449	0.1
382.55289	0.2
476.63797	0.1
503.80133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34632	0.1
55.97990	0.1
57.15865	0.2
57.93245	0.1
59.01384	1.0
63.49060	0.1
64.76058	0.1
67.40307	0.2
78.95913	2.1
79.95735	1.6
96.96014	100.0
96.96892	3.3
98.95625	0.2
99.08196	0.2
108.33732	0.2
111.00894	0.3
125.06033	0.2
187.06064	0.6
189.12694	0.2
351.46814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31791	0.4
58.46702	0.4
59.01388	100.0
63.22615	0.4
63.87077	0.4
66.03120	0.4
78.75225	0.4
90.97153	0.6
107.07410	0.5
114.98917	0.5
115.33748	0.5
120.63842	0.4
128.21649	0.5
132.98227	2.3
134.97069	0.8
157.00005	0.7
157.03577	4.9
159.01479	2.2
174.99245	30.0
186.94618	0.5
201.02586	38.9
217.00330	96.2
218.00890	0.5
306.52249	0.5
332.95218	0.5
343.03787	1.1
359.01523	49.5
360.02011	0.8
526.13800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19364	0.7
55.56900	0.9
59.01367	1.0
61.01677	0.7
66.52100	0.7
79.95731	34.4
79.96199	1.4
84.07832	0.7
87.18243	0.9
92.42538	0.8
95.95226	26.3
96.96004	100.0
101.06086	0.8
108.98731	0.8
110.97591	10.6
119.11826	0.8
125.02413	2.9
125.20979	0.8
136.99150	8.7
167.00192	43.1
289.03680	0.8
333.06589	1.1
347.47195	0.9
465.10745	1.3
486.12079	1.8
501.14465	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01386	100.0
61.98839	3.0
64.10101	0.3
71.01390	1.2
73.02949	1.3
81.03452	0.3
83.05032	0.4
83.86303	0.3
85.02938	0.3
89.91837	0.3
90.86883	0.3
92.10207	0.4
94.18955	0.3
99.04511	0.4
101.02451	0.5
107.01324	0.3
113.02467	0.5
143.68617	0.3
251.12869	0.4
382.87769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59556	0.3
51.91189	0.3
54.12623	0.3
54.81372	0.3
59.01389	77.0
61.98835	4.7
67.20747	0.3
67.35452	0.3
71.55851	0.4
83.05061	0.4
85.06616	2.4
97.06582	0.8
117.52195	0.5
120.05816	0.7
121.06633	0.5
121.73641	0.4
124.86486	0.4
133.53214	0.3
135.08170	11.3
147.08128	1.4
152.04794	0.5
165.12846	2.3
181.16068	2.7
190.49887	0.4
191.14513	1.5
205.15903	0.6
218.61105	0.4
225.14992	100.0
226.15356	0.7
233.15497	12.7
249.15045	0.5
267.16046	0.4
439.26312	0.4
445.32983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05694	0.4
57.03450	2.8
59.01378	10.3
61.98824	9.8
63.53613	0.4
66.91124	0.5
69.03439	1.9
69.30018	0.5
75.45502	0.5
81.03428	0.9
83.05015	10.1
95.05031	2.1
97.02873	0.5
97.06571	0.7
103.53422	0.6
109.06611	0.7
159.08324	0.6
183.03387	0.5
205.15959	3.2
247.13445	1.0
249.14943	100.0
251.16486	3.8
477.02444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97472	1.0
53.19552	0.9
61.98835	100.0
83.00082	1.1
88.31125	1.1
94.10803	1.2
111.14639	1.5
305.91766	1.2
321.08157	1.4
323.30820	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	503.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57805	0.1
58.31757	0.2
59.01397	0.2
59.90612	0.1
66.64818	0.1
67.13210	0.1
78.95890	1.3
79.95741	1.9
92.10769	0.2
96.96011	100.0
110.06248	0.2
111.41145	0.1
119.45549	0.2
127.74464	0.2
136.26147	0.2
227.61633	0.2
457.64020	0.2
528.13953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.306
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
57.03452	3.1
59.01390	100.0
61.98848	15.9
69.03459	1.9
71.01378	3.6
71.05016	2.6
73.02969	2.5
73.09994	1.6
81.03507	2.3
83.05043	3.9
85.02966	2.5
85.06596	2.0
95.05041	2.1
96.96030	3.9
99.04546	3.8
101.02412	2.6
109.03003	2.0
109.06590	2.4
113.06104	3.4
121.02962	3.8
121.66743	1.7
123.04533	1.9
123.08199	2.1
137.02438	3.8
150.71716	1.6
151.03984	1.9
165.01894	2.4
169.47905	1.7
179.03540	1.9
199.13429	2.1
203.12852	2.0
277.14487	11.5
499.30121	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	500.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43384	0.3
57.60345	0.2
59.01396	6.1
60.01744	0.3
61.01818	0.3
61.98843	100.0
63.01228	0.3
77.67642	0.3
83.05052	0.4
90.13143	0.3
100.50908	0.3
107.05035	0.3
131.41719	0.3
140.52000	0.3
140.74490	0.3
154.13490	0.3
176.15154	0.3
190.15265	0.3
208.62563	0.3
224.31107	0.3
256.95697	0.3
288.67477	0.3
382.29678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	13.4
59.38673	0.8
61.98835	100.0
66.99842	0.9
70.66284	0.9
107.82058	0.9
133.02922	1.6
144.78490	0.9
160.25571	1.1
161.02434	5.3
162.02789	1.8
203.12895	1.4
204.13171	1.2
457.91638	1.0
463.25064	2.2
464.25125	17.6
500.30261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04243	1.7
57.03463	4.5
57.36005	1.7
58.80014	1.9
59.01385	100.0
61.98838	19.2
69.03468	2.4
71.01411	2.2
73.02940	2.5
75.26012	1.7
76.53008	2.3
83.05051	4.6
85.02972	3.1
87.04614	1.8
89.57025	2.1
91.85943	2.1
95.38179	2.5
97.02973	3.1
109.02971	2.4
111.08194	3.4
116.59149	1.8
121.06619	2.3
125.02436	3.0
125.58080	2.2
127.90558	2.1
137.02419	8.6
138.30351	2.1
143.87196	2.2
145.73573	2.3
165.01955	12.7
169.12415	2.1
199.13397	8.3
203.12921	2.9
263.42511	3.1
271.44339	2.3
288.06476	3.9
301.68976	2.7
330.91080	2.1
356.82059	2.3
421.67264	2.3
439.30972	3.6
499.30917	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	499.1964
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
54.22879	1.9
57.03460	4.3
58.99606	21.7
59.01385	29.8
59.91656	2.1
61.98838	9.9
64.00191	2.1
71.01390	17.2
73.02949	3.9
83.01424	2.5
85.02976	2.7
87.00899	15.1
89.02449	9.6
89.52937	2.2
96.96021	9.8
97.02965	2.2
99.13059	2.2
101.02418	3.6
102.98607	100.0
112.45470	2.2
113.02435	3.0
151.00417	2.7
154.09291	2.4
191.05557	4.8
201.11394	4.4
224.78293	2.5
226.16222	3.2
253.03886	62.8
255.03113	2.4
271.02444	10.5
277.10712	3.3
300.02698	14.2
301.03464	4.0
391.18182	2.3
393.13770	3.7
463.08878	10.0
499.13382	3.1
499.19675	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1959
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01381	12.6
61.98842	1.9
63.61033	1.6
65.81104	2.2
71.01385	13.5
71.17296	1.8
73.02950	2.5
76.12020	1.8
76.58299	2.0
85.02958	7.5
92.10779	1.9
93.03477	2.1
96.96008	23.6
99.91164	2.1
101.02450	13.2
113.02446	4.4
121.02946	4.6
125.02512	2.1
137.02359	1.9
149.02467	3.3
151.00348	3.1
155.03485	1.8
161.04579	4.1
199.09471	1.8
211.09708	2.3
253.58058	2.2
254.05913	2.1
272.03128	3.8
277.07190	2.6
295.05612	2.1
300.02792	47.7
301.03580	38.0
331.17654	3.8
343.04782	4.4
463.08896	48.3
463.21921	50.8
499.19583	100.0
507.48532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.5
67.07382	1.7
71.01364	15.0
73.02931	2.3
85.02975	4.6
89.02442	7.6
92.10761	2.2
96.96004	16.8
97.06561	2.4
101.02446	16.1
103.86807	1.8
107.01464	2.0
109.47546	1.7
113.02433	2.9
119.03475	1.7
121.02926	15.8
122.90480	2.0
137.02405	2.2
149.02498	2.5
151.00368	2.5
161.04555	9.4
200.52196	2.0
272.03345	3.7
277.07120	3.6
300.02795	61.7
301.03564	37.9
307.17746	2.8
331.17642	4.5
343.04645	10.1
428.55725	2.1
439.21796	2.0
463.08853	68.1
463.21915	50.5
499.19577	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	499.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
58.72459	1.3
59.01394	38.4
61.98853	6.5
71.01415	1.7
71.05037	1.8
73.02956	1.6
78.95921	3.2
79.02851	1.2
83.05060	1.6
92.10126	4.7
96.96010	100.0
96.96919	9.2
97.06596	1.4
114.21538	1.4
129.45590	1.3
455.23001	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	499.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67049	0.6
54.38928	0.5
55.01891	5.6
57.03467	4.2
57.34433	0.7
59.01384	88.5
64.73280	0.6
71.01381	38.5
72.99323	1.1
73.02939	13.1
81.12944	0.7
82.95432	0.7
83.01393	9.4
84.40235	0.6
85.02958	19.7
87.00880	1.3
88.53979	0.7
89.02447	9.9
95.01417	3.8
96.96001	12.0
97.02936	0.8
99.00876	7.2
101.02441	40.0
101.03084	1.5
111.00867	1.0
111.93333	0.7
113.02452	19.6
116.92862	4.3
119.03481	1.2
125.02509	1.0
129.01903	0.9
131.03508	12.1
143.03542	3.0
159.03004	3.3
161.04565	17.1
165.36032	0.7
179.37007	0.9
209.06442	0.8
215.09262	0.8
245.36891	0.7
296.57211	0.7
305.16278	0.8
307.17676	100.0
308.18088	1.2
439.21893	35.5
465.81821	0.9
499.19928	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	499.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28485	0.3
51.24878	0.3
54.23283	0.3
55.05456	0.3
55.29113	0.3
59.01380	0.9
62.84751	0.4
71.01390	1.5
72.99327	1.6
73.92727	0.3
79.95753	2.1
87.00874	1.7
90.94632	0.4
96.96014	100.0
101.06083	2.1
115.04005	2.1
121.32845	0.4
166.02686	0.7
186.91467	0.4
191.05627	1.8
202.17447	0.4
289.09918	0.4
401.10956	2.0
499.53580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03525	0.2
56.08114	0.1
56.85459	0.1
59.01405	0.2
75.62357	0.2
76.40174	0.2
76.55132	0.1
78.95908	3.5
79.95728	1.8
81.54275	0.2
96.96013	100.0
96.96906	6.5
101.02460	0.2
101.75980	0.2
118.57394	0.2
302.63422	0.2
368.69028	0.2
401.56793	0.2
497.01859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01379	4.4
60.03252	0.4
61.98833	51.5
65.00327	7.5
65.35816	0.4
66.00665	2.1
69.82704	0.4
71.01372	0.8
79.95737	44.4
81.71191	0.5
83.01376	3.5
83.05040	1.1
84.01717	0.7
85.67300	0.6
88.61746	0.5
90.12672	0.5
95.95236	0.8
96.96007	100.0
101.02290	0.5
102.26833	0.5
107.01392	11.1
108.01731	4.3
109.96791	0.6
110.97586	15.3
113.02453	0.5
121.03001	0.5
123.04504	2.8
125.02470	7.9
126.02782	3.5
133.02898	0.8
135.04500	0.5
141.95766	2.1
149.02542	1.0
150.03259	7.4
151.00388	42.9
151.04036	8.8
152.00706	20.8
152.04379	5.5
153.01494	3.4
154.02299	0.8
170.01759	0.6
174.03276	0.7
175.03923	3.3
177.01901	0.9
178.99898	4.8
180.00304	4.0
189.05539	2.0
194.92749	0.5
199.03999	0.8
200.04300	0.7
206.20082	0.6
213.11249	3.9
217.05074	0.7
242.05576	0.7
284.08615	0.8
285.04028	12.3
286.04398	24.0
303.05118	3.2
304.05453	6.2
341.09879	0.6
344.09369	0.5
358.10571	2.2
359.11435	0.8
373.12918	2.4
435.09384	2.0
436.09717	31.8
499.12885	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90816	1.6
59.01389	8.5
71.01388	2.1
72.99316	3.6
75.00860	4.3
75.82790	1.7
85.03039	1.6
86.02478	4.0
87.00897	8.3
89.02452	2.1
92.10759	2.9
93.03446	2.8
96.96003	51.6
96.96960	2.0
114.93417	2.3
120.04487	1.6
122.06104	3.2
122.76929	1.8
125.02436	2.6
134.06128	12.2
135.03003	7.9
136.07707	18.4
137.02423	3.6
149.02362	2.4
149.04865	14.0
151.70789	1.6
162.05609	2.7
164.07179	19.8
165.01932	3.3
174.09238	3.7
177.01910	3.5
189.06683	2.7
198.07889	2.0
201.10378	2.5
202.08679	3.6
213.10326	10.0
215.11954	2.5
216.98013	1.9
219.11351	10.9
225.10298	3.4
226.07359	2.9
229.09885	3.0
239.08226	2.5
240.08894	2.9
241.09824	21.7
243.11330	14.5
253.09750	2.4
256.08420	6.8
269.09216	2.3
271.10892	100.0
277.00333	8.4
280.15591	2.0
283.10800	3.7
289.12027	8.5
301.11987	10.5
310.19745	2.0
319.12997	98.0
327.05133	3.2
463.26923	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52822	0.7
53.75482	0.8
59.01387	21.8
61.98827	1.1
66.00468	0.9
68.44999	0.8
71.01369	1.1
92.65569	1.0
96.95968	1.3
109.06615	1.0
111.04533	1.1
111.08185	1.9
121.06583	4.4
125.06108	0.9
127.11224	1.3
135.04527	4.1
135.08224	1.2
136.05302	74.7
137.06009	1.3
147.08154	3.6
149.06097	17.1
150.06874	11.4
153.09213	1.9
162.06841	4.4
163.07643	1.2
164.08466	7.0
164.50296	0.9
165.09216	100.0
166.09546	1.5
171.10292	34.1
213.11362	20.0
275.20187	0.9
301.03589	3.6
301.18106	3.7
319.19269	13.9
336.19540	6.0
337.20255	74.6
338.20288	1.5
361.20184	3.2
499.25565	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53542	0.4
55.01895	0.5
59.01387	100.0
61.98832	1.1
65.03968	0.6
65.99617	0.4
71.05028	0.7
75.00911	0.5
83.05026	4.1
83.76141	0.4
90.71259	0.5
97.06574	0.4
99.04551	0.6
107.05106	0.6
109.06596	0.9
121.06593	2.9
123.08180	4.2
137.09778	0.5
139.07617	0.5
141.09291	0.6
151.84271	0.5
161.09656	1.1
163.11198	0.5
169.12448	0.5
171.96925	0.4
213.58110	0.5
266.50858	0.5
324.24774	0.5
346.45358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10857	0.8
52.91506	0.9
54.82978	1.0
56.35413	1.0
57.03433	1.0
57.44501	0.8
59.01392	1.7
61.98833	84.2
62.87628	1.0
65.00330	14.1
83.01385	10.0
107.01397	28.0
123.04549	6.4
124.01682	1.4
125.02451	16.6
133.02959	4.7
135.04552	2.4
149.02519	1.5
150.03258	20.5
151.00383	100.0
151.04015	19.7
152.01163	14.8
170.03761	1.2
175.04019	1.8
176.77036	1.5
177.01894	1.9
178.99867	11.3
199.04082	4.4
241.05190	1.6
273.72781	1.0
285.04105	50.7
287.17773	1.0
303.05133	15.8
309.06262	1.6
323.98941	1.2
435.09384	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83316	0.8
55.78003	0.7
57.03447	1.0
59.01378	3.8
61.80917	0.8
61.98833	100.0
62.60487	0.7
64.35130	0.7
65.00322	11.2
75.31602	0.7
82.40704	0.8
83.01365	5.7
89.02425	1.1
107.01404	17.0
123.04517	4.2
125.01605	1.1
125.02443	14.1
133.02962	3.4
135.04437	1.0
149.02376	1.3
150.03203	11.6
151.00381	65.5
151.04004	13.4
152.01166	9.6
152.33392	0.8
164.28009	0.8
166.15814	0.9
169.01428	1.7
175.04002	2.9
176.01248	1.2
177.01848	1.3
178.99852	9.4
199.04071	1.5
217.05025	1.5
218.59454	0.8
220.81007	0.7
239.17636	0.8
241.05103	1.3
243.03030	1.1
255.02937	1.8
271.02588	4.1
283.08145	1.1
285.04068	36.6
300.02664	5.8
301.03430	3.0
303.05124	12.9
309.05896	1.1
435.09366	40.7
463.08688	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	498.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01381	1.7
61.98833	100.0
63.02410	1.1
65.00323	15.5
82.26385	0.8
82.60708	0.9
83.01387	8.3
87.00864	0.8
92.26974	0.8
107.01392	29.2
115.06526	0.8
123.04505	10.0
124.01623	1.4
125.02454	20.6
133.02933	4.4
135.04536	3.4
149.02505	1.7
150.03224	19.8
151.00378	97.7
151.03999	24.1
152.01163	19.0
153.01929	1.5
169.01434	1.5
170.29964	1.0
175.03976	4.2
177.01950	3.7
178.99876	16.7
180.00551	0.9
199.04004	4.6
217.05029	3.1
241.05042	1.6
257.04556	1.3
285.04083	55.8
303.05133	19.7
309.06250	1.5
417.08157	1.3
435.09372	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72255	3.0
57.03448	4.3
59.01387	100.0
61.69859	3.1
61.98858	4.9
64.03882	3.1
69.03450	3.2
71.01388	14.8
72.99316	4.5
73.02956	6.9
74.28250	3.1
80.08511	3.0
85.02982	4.9
96.96017	37.4
101.02435	12.3
130.54251	3.3
138.05412	3.2
148.83084	3.4
155.05643	3.4
163.11349	3.6
165.01956	4.3
167.10767	14.2
171.47549	3.6
226.15273	4.8
242.19632	3.2
296.11615	4.4
329.06641	6.6
347.09830	3.6
465.18820	4.3
497.17072	3.9
497.21848	19.0
497.31836	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	497.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60608	1.2
59.01384	100.0
60.78984	1.0
64.22880	1.3
71.01379	51.3
72.99323	2.4
73.02966	2.7
83.01385	1.4
85.02942	10.0
87.00867	1.5
89.02442	71.5
96.96002	26.3
98.95581	10.6
99.00887	3.0
101.02440	22.8
101.06144	1.7
107.50557	1.4
109.03073	1.1
113.02482	5.6
116.92195	1.3
119.03555	1.4
119.05045	4.9
121.02914	1.2
125.02462	3.0
129.01959	1.5
131.03503	48.4
137.02470	1.3
145.02951	3.0
149.04570	53.9
191.05638	31.4
217.10757	1.5
221.06737	2.0
286.68985	1.4
311.10123	1.7
372.38412	1.5
497.14514	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	497.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	4.3
57.03452	5.2
57.87130	0.7
58.00591	1.0
59.01385	100.0
61.98843	1.3
71.01384	27.4
72.99325	1.5
73.02948	12.8
82.33459	0.6
83.01383	8.7
83.05038	0.9
85.02952	18.2
87.00872	0.9
89.02443	7.8
95.01426	1.2
96.96024	0.9
97.02943	1.1
99.00910	5.4
101.02443	38.0
109.06591	1.0
111.00878	1.1
113.02458	11.3
119.03484	0.8
123.08200	0.9
123.81081	0.7
125.02420	1.1
131.03506	15.8
143.03482	1.0
149.04631	0.9
152.91818	0.7
159.03064	0.9
161.04575	6.8
165.12781	0.8
172.18571	0.9
174.64040	0.7
183.10222	0.7
183.13930	1.1
221.53767	0.7
305.19754	60.1
437.23972	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01385	100.0
61.98835	2.7
69.03460	0.6
71.01445	0.3
71.05009	0.7
75.00894	0.5
76.57542	0.4
79.05505	0.4
83.05047	0.7
85.06655	0.4
92.10143	0.7
92.82022	0.3
95.14165	0.4
101.38367	0.4
107.05051	0.5
121.06609	0.6
123.08149	2.0
137.09721	0.5
161.09718	0.4
163.11308	0.5
169.12233	0.4
169.16159	0.4
179.54999	0.4
204.40936	0.4
206.10771	0.3
226.15787	0.4
506.64270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95017	0.2
59.01387	5.6
61.98844	0.3
65.02328	0.2
71.01374	0.2
71.78410	0.2
83.05030	0.4
85.02937	0.3
86.90994	0.2
93.07111	0.3
95.01395	0.2
96.96025	0.5
101.02466	0.3
109.06626	0.2
123.08196	0.2
125.06042	0.2
135.08220	0.3
136.79657	0.2
137.09753	1.1
151.11324	0.2
165.09201	1.1
165.11525	0.4
165.12848	6.1
167.03667	0.2
167.14433	6.4
185.15475	0.3
193.12360	1.8
201.11362	0.3
211.13434	100.0
212.13753	0.8
212.77786	0.2
305.19763	0.3
331.09106	0.2
434.14755	0.2
437.23953	0.3
437.29425	0.4
497.21838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03450	3.3
58.00601	1.0
59.01376	100.0
71.01378	25.5
72.99301	1.6
73.02943	5.0
76.05417	0.8
83.01387	3.3
85.02953	7.1
89.02439	35.3
90.08470	0.8
91.44340	0.7
94.72864	0.8
95.01389	1.1
95.18896	0.8
96.96001	8.1
99.00876	1.7
101.02424	20.2
111.08136	1.0
113.02462	8.3
119.03474	6.8
123.04528	1.5
125.02420	1.2
131.03482	26.1
143.03481	0.9
147.85138	0.8
149.04547	12.1
151.05421	0.8
161.04568	3.8
163.11319	1.3
179.05579	6.9
181.12308	3.3
191.05605	10.1
207.10257	0.9
223.13338	1.0
225.11276	5.5
303.18152	8.5
352.31903	0.9
365.06580	0.9
382.15582	0.8
435.23166	8.1
435.29416	10.4
449.85324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.6
56.57677	0.6
57.03452	3.4
57.48639	0.7
58.00576	1.2
59.01384	94.3
61.98843	0.8
69.05392	0.7
71.01380	24.3
72.99292	0.8
73.02941	9.7
75.00877	0.8
80.59237	1.0
83.01390	4.3
85.02946	16.0
85.43692	0.8
87.00861	1.0
89.02434	12.7
95.01371	1.9
99.00893	3.0
101.02442	21.9
105.91498	0.9
109.21349	0.8
113.02437	11.8
119.03499	3.5
121.03018	1.3
125.02441	1.2
132.23956	0.8
143.03465	1.2
146.03761	1.5
150.03206	0.8
151.00380	3.4
161.04562	3.4
163.84470	0.8
179.05661	2.0
195.13899	1.7
213.93123	0.8
414.62088	1.0
417.21396	5.6
435.21509	10.4
477.23770	5.9
495.24557	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	496.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.6
61.98822	47.4
69.75587	0.5
71.01370	1.1
72.36459	0.5
83.01368	0.7
88.59933	0.5
88.98801	2.9
107.01350	1.1
108.02149	1.0
109.02937	0.7
121.02859	0.7
151.00394	5.0
152.68875	0.7
163.00392	1.1
178.99796	3.1
192.44153	0.6
211.03909	0.7
225.31490	0.6
226.02782	1.4
227.03436	1.2
243.02992	8.2
254.02171	2.2
255.02997	22.8
271.02478	51.4
272.03009	0.8
300.02747	100.0
301.03510	14.4
397.44019	0.6
433.07733	73.9
434.08112	1.3
439.90540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83363	0.8
55.01882	1.9
59.01368	9.2
64.34341	1.0
69.03449	1.8
71.01366	6.6
71.05009	14.5
71.70438	0.8
73.02947	4.9
85.02938	1.4
87.00898	3.7
87.04465	0.9
89.02435	2.1
95.05004	32.9
96.95984	1.9
97.02930	46.2
101.02435	4.3
103.04014	1.1
115.04001	10.1
124.01582	1.7
125.02425	32.2
131.03484	2.1
135.04514	10.3
137.02415	3.4
139.03995	100.0
143.03418	1.8
148.15707	0.9
165.01930	10.8
168.00595	4.6
169.01408	47.6
174.21710	0.9
183.02962	74.2
205.07098	3.1
243.32281	0.8
248.30037	0.8
331.06708	61.4
461.16675	21.6
463.18530	1.1
480.01016	0.9
497.09415	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39932	1.2
57.03447	2.0
58.00596	3.6
59.01387	95.0
60.58863	1.4
61.98833	100.0
71.01382	48.4
72.71808	1.4
72.99314	3.3
73.02959	2.8
83.01398	2.0
85.02941	11.6
87.00879	2.5
88.98796	17.8
89.02443	46.3
96.96015	2.5
101.02447	19.3
113.02455	17.1
119.03504	14.7
121.02969	6.2
123.04514	12.2
125.02457	2.6
136.26917	1.9
138.05602	13.9
139.05962	6.7
153.05338	1.6
167.03520	34.6
179.05553	2.0
185.06020	3.2
195.04617	2.0
195.98787	1.6
197.05913	1.5
212.04691	1.8
213.05589	25.5
223.04019	3.7
224.04805	3.7
241.05090	78.8
256.07449	49.1
271.09805	63.9
315.08759	9.0
401.21695	1.6
435.16437	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	495.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31108	2.2
58.00602	1.9
59.01383	96.9
61.89833	2.1
61.98841	14.3
68.64426	2.1
71.01386	37.7
72.99318	4.8
73.02946	2.5
78.95891	2.8
80.05065	88.1
83.01404	3.1
85.02967	12.2
87.00906	3.1
89.02442	42.2
92.05058	15.7
95.01395	2.7
96.96003	3.0
101.02452	24.6
106.06656	2.9
113.02455	17.0
116.92870	2.9
119.03501	13.9
121.02940	10.2
124.04047	18.9
125.02455	2.7
131.03508	4.1
131.34691	2.2
134.06120	36.2
136.04010	11.2
146.74890	2.3
149.02437	2.8
149.04556	2.9
152.01111	2.8
156.98051	2.6
161.04558	3.2
167.03485	2.7
186.41028	2.4
194.66037	2.2
209.04575	2.7
227.11942	30.8
244.76183	2.4
271.10855	16.1
288.06128	2.8
303.08740	5.2
333.06052	2.5
380.01596	2.2
407.18375	19.7
435.25717	11.7
437.14740	3.8
451.17285	13.5
471.66486	2.3
477.06689	4.4
495.16211	100.0
503.05386	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	495.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60920	0.6
58.35290	0.6
59.01383	12.3
60.99311	17.2
67.84041	0.6
71.01392	0.9
85.03002	0.7
88.98803	100.0
112.70517	0.6
139.11292	8.9
146.58192	0.7
162.18381	0.7
165.09253	0.6
181.12375	5.1
183.10281	11.3
197.83026	0.6
199.13387	3.8
199.58281	0.7
225.11313	3.6
243.12396	49.4
254.74942	0.7
308.13098	0.7
405.17700	14.9
435.26755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.4
71.01377	14.7
85.02956	1.9
89.02434	16.9
101.02433	2.1
108.02171	5.1
113.02457	1.6
121.02958	16.6
121.16733	1.0
122.03738	14.5
123.04475	2.0
135.04521	5.8
137.02432	3.6
137.05997	1.2
146.03745	87.0
149.04553	1.2
161.06091	71.4
162.03238	4.8
165.05524	3.9
166.06348	35.0
167.07133	100.0
177.05580	1.7
179.83630	1.1
193.08733	5.6
221.08189	16.2
265.52350	1.0
312.10046	5.9
327.12427	84.9
345.13412	2.2
435.26700	1.4
467.04330	1.0
495.24493	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24500	0.3
58.39594	0.3
58.79916	0.2
59.01382	27.4
60.01723	1.6
60.74053	0.3
61.98832	100.0
71.01385	3.1
73.02979	0.4
74.44280	0.3
83.01368	0.4
85.02977	0.7
88.98758	0.4
89.02431	3.2
96.95982	0.4
101.02425	1.6
113.02426	0.6
118.71774	0.3
119.03449	0.4
121.02949	2.9
122.03281	0.6
131.09285	0.3
151.00369	0.6
160.62363	0.4
187.59256	0.3
190.59146	0.3
268.03760	16.5
269.04578	5.0
337.24344	0.4
371.50818	0.3
429.43121	0.3
431.04227	0.6
431.09805	12.9
433.24655	0.4
434.24594	1.6
493.23175	0.5
494.23172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56017	0.2
59.01385	4.5
61.22951	0.2
61.98834	100.0
64.72717	0.2
67.98042	0.2
71.05025	0.2
82.82491	0.2
104.90752	0.2
145.05396	0.3
241.14445	0.4
242.36739	0.3
251.16582	0.4
252.16943	0.4
387.02451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19926	70.7
57.20232	81.1
65.30612	75.8
71.29634	74.0
101.23655	80.8
168.63843	99.3
315.00558	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	493.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22627	15.7
52.48660	18.6
57.40242	16.1
58.50062	18.4
59.01394	100.0
62.24725	18.7
65.47514	18.2
70.06822	19.0
80.16209	18.8
92.10163	42.4
92.98079	20.0
161.70021	21.2
214.71443	23.0
218.08733	22.2
408.77988	23.5
457.31558	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	493.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46320	0.1
50.98998	0.1
52.81170	0.1
57.03453	1.1
59.01382	3.4
61.98838	0.2
67.83595	0.1
70.54922	0.1
70.86479	0.1
72.58227	0.1
85.02946	0.1
88.24772	0.2
97.06563	1.4
123.08198	0.2
147.04544	0.2
165.25948	0.2
169.12337	3.7
175.30415	0.2
177.12891	2.1
179.14423	1.5
195.17508	0.3
201.04092	0.1
221.13245	0.2
221.15479	9.0
239.16551	100.0
240.16838	1.4
281.85709	0.2
328.78134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66272	12.8
54.82775	14.4
70.72537	14.1
81.47355	14.9
90.86655	15.5
123.04094	13.1
179.57713	17.0
181.39912	15.0
186.16797	16.3
281.28540	16.2
341.30585	100.0
437.50439	17.6
486.87552	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	494.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.6
60.01720	1.0
61.98833	50.6
64.34901	0.8
71.01389	4.9
77.03971	1.8
85.02961	1.4
85.68018	0.8
89.02452	1.5
91.52487	0.8
93.03453	2.0
101.02448	1.1
113.02467	1.2
117.03467	11.2
121.02933	4.0
125.53609	0.8
135.04529	2.0
149.02429	3.5
155.10771	1.2
159.04541	1.8
161.02437	6.0
163.04042	6.7
165.01956	1.7
179.05717	1.1
191.03529	1.3
211.07675	1.4
215.07245	1.2
224.29515	0.9
239.07112	2.0
268.03812	4.5
269.04462	3.7
281.04489	5.5
282.05441	1.5
283.06158	69.0
293.04544	3.8
295.06082	3.8
302.62204	1.1
311.05670	100.0
323.05591	5.1
341.06696	9.6
431.09927	88.0
433.24640	2.1
434.25055	1.2
434.35370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52417	0.6
55.01886	1.6
57.03465	1.6
58.00584	0.9
59.01382	44.4
60.45062	0.7
63.92809	0.7
66.29060	0.8
69.03440	0.9
71.01376	16.1
72.99306	1.0
73.02966	4.1
74.92151	0.7
83.01396	2.0
85.02942	9.9
85.06596	0.7
89.02441	10.2
95.01379	1.2
96.95975	0.8
97.06574	0.9
99.00865	0.8
101.02438	10.2
113.02454	6.1
113.09784	0.9
114.40472	0.8
119.03522	1.3
121.02968	1.0
135.11790	1.7
139.11200	1.2
151.11288	3.9
153.12854	1.2
157.12273	1.2
161.04594	1.3
169.12314	1.6
171.10289	1.9
179.10793	13.6
182.80795	0.9
197.11885	1.2
223.09752	3.7
253.09245	5.5
271.19278	1.9
295.15451	1.2
295.22916	1.3
313.23935	23.8
329.23306	3.6
331.24963	51.7
351.16312	0.8
408.79895	0.8
456.77600	0.9
493.30261	100.0
494.30652	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	493.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.8
59.01387	58.3
61.98830	1.5
71.01394	7.2
72.02192	2.9
73.02962	1.6
83.05016	1.0
92.66185	0.7
95.20464	0.8
108.72240	0.6
111.08183	3.2
119.51751	0.7
137.09756	6.7
151.11255	1.6
153.12869	25.3
155.08682	0.9
165.09180	1.2
165.12840	3.0
179.14392	4.0
181.16005	8.9
189.12799	1.4
193.12392	12.3
194.72902	0.7
205.15950	4.7
205.17653	0.7
207.13956	1.3
223.13402	4.2
223.17041	2.8
225.14998	100.0
249.14859	1.3
253.13434	0.8
262.00806	0.8
267.16049	18.2
433.25555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	4.0
55.11094	0.8
57.03467	5.1
59.01385	100.0
61.12753	0.7
61.98839	3.6
65.21285	0.7
71.01379	29.2
72.99300	1.6
73.02940	13.6
75.00890	1.8
83.01396	6.6
83.09223	0.7
83.09713	0.7
85.02954	16.0
89.02441	7.9
89.45644	0.7
95.01408	1.7
96.96042	1.0
97.02975	1.1
99.00908	4.7
101.02439	35.7
113.02462	14.3
119.03510	1.2
121.02956	1.4
131.03500	22.6
143.03514	0.8
143.10770	1.6
148.10323	0.9
159.02974	1.7
161.04575	12.6
179.05630	1.0
183.04509	0.9
184.05208	1.2
211.04103	0.8
212.04865	1.9
213.05594	3.2
223.04048	1.1
227.07150	3.1
240.04297	18.9
241.05121	17.3
255.06668	49.0
256.07410	13.7
259.16867	0.9
267.18967	0.8
270.09018	26.5
271.09775	13.8
271.19110	6.0
301.16599	50.9
318.08481	0.9
433.15060	31.0
433.20914	25.1
493.30130	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	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38126	0.8
55.01890	5.0
57.03468	5.3
59.01393	83.4
60.08421	0.8
61.98847	4.7
71.01386	52.2
72.23089	1.0
72.99319	1.1
73.02952	21.7
75.00886	1.7
79.26539	0.9
83.01376	11.8
85.02959	26.4
87.00895	3.9
89.02437	19.4
95.01395	2.2
97.02967	1.8
99.00887	7.6
101.02443	46.3
113.02452	22.2
118.89831	1.1
119.03502	6.8
119.05005	1.3
121.02964	1.5
125.02442	1.5
131.03488	9.9
143.03505	2.2
149.04622	1.5
151.00359	4.5
159.02971	4.6
161.04555	17.7
169.23645	1.2
225.11282	1.8
271.06229	3.6
271.18958	4.8
301.16605	44.7
322.10455	1.3
331.24939	2.0
422.75995	1.1
433.20715	100.0
434.21582	1.2
493.29828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
52.38295	0.7
55.01896	0.9
57.03448	1.1
58.00619	1.4
59.01385	54.8
61.98842	1.4
69.03458	1.0
71.01385	38.1
72.99298	0.9
73.02946	23.6
73.03347	1.2
75.00869	0.9
80.22447	0.7
81.03509	0.8
82.13712	0.8
83.01382	1.2
85.02965	7.2
89.02444	61.0
93.35415	0.8
99.00880	43.4
99.08152	1.1
101.02439	17.3
112.14104	0.9
113.02457	5.4
116.92852	11.4
125.02454	1.6
131.03497	9.1
141.02081	0.8
149.04575	10.1
156.27788	0.9
161.04633	1.5
191.05609	8.6
225.11267	1.0
266.47003	0.9
331.15427	1.9
331.24924	2.1
358.38495	1.0
493.23041	100.0
493.29886	8.3
494.23047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36472	0.9
54.07849	0.7
55.01881	1.3
57.03446	1.7
58.00600	1.5
58.99564	0.8
59.01385	77.3
59.63657	0.7
64.80161	0.7
68.69278	0.7
71.01379	33.5
71.01775	1.3
72.99314	6.0
73.02965	1.7
74.58333	0.8
83.01393	1.6
85.02934	7.6
87.00877	1.4
88.98813	1.7
89.02439	28.6
95.01405	1.8
95.21594	0.9
96.95998	1.8
101.02441	20.5
109.02953	1.0
111.04513	1.2
113.02442	10.6
119.03513	11.6
121.06596	1.6
123.00862	1.1
123.08153	5.1
137.02470	3.6
138.03181	2.0
140.07216	8.2
143.07124	1.2
153.05550	7.8
161.04492	1.3
161.09929	0.9
171.11775	2.0
179.05605	1.3
189.12868	8.9
191.05653	3.0
211.58513	0.9
215.10788	1.5
217.79091	1.1
233.11798	1.7
271.08255	8.3
277.10779	4.8
304.54080	0.9
347.48431	0.9
376.66589	0.8
377.14505	1.0
433.24445	5.2
457.17236	100.0
458.17572	1.4
474.38980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65411	0.4
55.01880	0.4
57.01151	0.4
57.79171	0.4
58.00591	0.5
59.01384	20.4
59.93442	0.5
61.77119	0.4
64.56809	0.5
64.61057	0.4
69.03460	3.6
71.01379	18.3
72.99314	0.6
73.02927	3.6
78.95906	1.1
79.95735	1.1
81.03451	0.7
83.01385	1.1
84.29678	0.5
85.02965	3.0
89.02439	23.6
95.01348	0.9
96.96004	100.0
96.96986	2.7
97.02926	3.5
99.00880	3.8
99.04472	0.7
101.02430	3.5
106.12142	0.4
112.14475	0.4
113.02427	2.3
115.04002	4.0
123.00881	2.0
124.01646	10.1
125.02437	13.4
131.03484	2.5
139.04002	4.1
143.03455	0.6
149.04550	1.9
161.04530	0.5
188.81201	0.5
191.05597	2.8
227.02286	1.0
233.06703	6.0
271.05157	1.0
293.08835	22.2
349.20673	0.6
403.95087	0.5
433.14020	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	493.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51631	0.4
57.70022	0.4
59.01381	100.0
61.98831	10.1
68.82614	0.4
70.37460	0.4
71.01376	4.7
72.99298	0.5
73.02929	0.4
74.19315	0.3
84.86690	0.4
85.02956	1.6
89.02438	6.6
91.65963	0.5
99.00890	0.5
101.02454	3.4
103.37262	0.4
113.02452	1.5
119.03537	0.5
121.02904	0.8
131.03470	2.4
149.04518	1.0
158.41760	0.4
179.05617	0.9
188.30127	0.5
191.05626	0.8
199.13524	0.5
221.11954	0.4
268.03802	2.3
431.09866	0.7
433.24484	2.7
493.22876	5.3
493.29858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72697	0.4
54.20776	0.6
55.01903	1.4
56.51846	0.5
57.03465	2.7
58.00617	1.2
59.01392	100.0
60.99313	0.5
61.98845	4.0
64.59875	0.6
71.01386	38.5
71.01778	1.3
72.99324	2.6
73.02940	6.1
73.40501	0.5
83.01406	3.4
85.02959	10.7
87.00880	1.0
89.02443	44.9
92.10894	0.7
95.01400	1.0
99.00884	2.4
101.02441	24.4
111.08183	1.1
113.02452	13.0
119.03505	10.5
121.02976	2.6
125.02475	0.7
129.01930	1.0
131.03506	20.0
143.03526	2.9
149.04559	18.1
160.05302	1.2
161.04529	5.0
175.07607	1.4
178.06322	0.7
179.05663	8.4
191.05664	8.7
199.13359	0.9
221.06741	0.8
225.11330	0.7
251.07635	0.8
267.15952	0.8
271.19186	1.2
299.15366	0.7
301.16550	5.9
311.09995	0.8
329.13901	5.6
346.27695	0.8
347.24612	0.9
348.83969	0.8
361.18723	1.3
373.44424	0.6
433.20029	2.8
433.25003	13.7
493.23154	15.0
493.29861	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	492.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19470	0.3
59.01396	3.4
60.01741	0.3
61.98841	100.0
79.22153	0.3
137.19980	0.3
222.98839	0.3
238.67859	0.3
259.97217	0.3
507.63461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.00570	0.8
59.01374	36.3
70.79755	0.9
71.01373	14.6
72.99295	57.2
75.00866	1.1
77.42502	0.8
85.02937	1.8
88.98789	1.6
89.02425	10.0
89.03951	4.0
93.03445	1.9
101.02403	7.7
109.02940	1.2
113.02416	2.3
117.03419	7.6
119.03452	1.2
119.04993	12.5
121.02928	2.2
123.04475	2.0
123.18729	1.0
133.02942	1.8
134.03726	24.8
135.04503	82.4
145.02975	1.0
147.04507	4.4
149.02386	1.3
150.03198	3.9
151.03986	6.2
161.02419	1.3
161.04375	1.1
162.03233	1.4
163.03947	2.2
177.01955	4.0
178.02638	3.9
179.03481	11.1
191.05585	5.2
193.10274	1.2
215.95184	1.0
229.05051	2.1
236.36745	1.0
237.09201	25.5
253.08739	10.6
271.06097	14.5
281.05258	1.9
281.08182	43.8
297.07718	6.5
299.09256	16.6
308.47470	1.2
315.08820	7.7
322.84702	1.1
325.07169	11.5
343.08167	12.4
359.20532	1.3
361.09338	42.3
403.10190	1.4
433.19940	0.9
433.24625	12.3
493.13513	100.0
493.22629	4.4
494.14023	1.5
510.64297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74843	0.6
59.01108	1.0
59.01385	20.0
60.61894	0.6
63.65786	0.6
71.01385	9.0
72.99300	10.5
75.00883	4.1
82.49372	0.6
85.02953	1.0
89.02451	6.5
101.02471	0.8
110.51381	0.8
113.02457	1.3
117.01872	0.9
149.51707	0.7
159.94254	0.8
193.06602	9.3
207.08197	17.9
209.06210	0.9
209.09581	1.0
211.07732	1.2
219.08171	18.5
223.07616	3.4
225.09241	15.4
235.07629	13.7
237.05681	5.2
237.09219	35.1
241.08612	1.7
251.07146	2.5
253.08713	39.8
255.10196	1.7
263.07159	9.6
269.08163	9.8
279.06534	2.5
281.08221	21.5
297.07709	31.5
299.09235	7.2
307.06104	4.8
315.08771	29.5
325.07245	8.1
343.08237	13.8
357.09811	4.1
361.09335	4.2
385.09607	0.9
429.57303	1.1
433.24408	3.0
447.12997	19.3
475.12503	9.6
493.13599	100.0
494.14185	1.0
515.75037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.7
57.03476	3.0
59.01394	100.0
61.98843	18.9
65.02309	1.7
69.31401	1.8
71.01388	31.9
72.99307	3.8
73.02956	12.5
75.00883	1.5
83.01430	2.1
85.02967	11.4
89.02444	25.0
95.01436	3.5
96.96017	2.2
99.00868	4.0
100.32890	1.7
101.02443	29.2
113.02460	11.3
116.92873	13.6
119.03510	4.3
131.03510	9.3
134.03084	1.7
149.04549	3.3
161.04547	3.8
179.05583	4.2
179.10786	2.1
191.05722	2.1
205.96497	2.0
271.19131	3.3
281.92245	2.0
284.03168	2.5
301.16544	28.5
343.11755	2.3
433.19836	5.6
433.25546	15.2
493.15463	3.8
493.22833	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82932	1.2
57.03460	2.2
59.01383	42.3
59.95279	1.0
60.74803	1.1
60.88406	1.1
61.98823	1.4
69.98283	1.0
73.02937	1.3
83.05036	1.7
90.15500	1.2
102.85910	1.1
129.12436	1.2
136.13777	1.1
137.09712	1.3
147.08173	1.9
149.09741	7.8
151.11217	1.3
153.98169	1.1
163.11263	7.0
167.14316	1.3
175.11259	5.2
187.11264	2.5
189.12808	5.2
191.14438	100.0
193.15962	2.3
195.13875	5.4
203.14378	1.5
205.12318	12.6
209.15488	5.2
235.13408	12.7
237.14870	4.8
253.18146	4.9
491.34131	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	492.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.3
61.98840	0.9
63.49164	0.2
68.01415	0.2
71.01382	1.9
73.02963	0.3
75.00922	0.2
83.01413	0.2
85.02983	0.5
89.02428	2.2
92.10154	0.3
101.02450	1.0
105.21238	0.2
108.02177	9.4
110.44798	0.2
113.02451	0.4
121.03024	0.3
122.02499	0.2
123.03268	6.0
125.02460	0.3
128.56926	0.2
131.03529	0.5
138.01981	100.0
138.05609	90.4
139.02257	0.3
145.03027	0.2
149.04578	0.5
161.04559	0.3
180.06705	1.1
184.09534	0.2
191.05605	0.8
221.89299	0.2
233.57623	0.2
293.08804	1.3
300.10956	1.8
352.10779	0.2
432.15164	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	492.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.3
68.01405	0.4
71.01392	1.8
83.01420	0.4
85.02987	0.4
89.02440	2.8
90.99279	0.3
96.95996	0.8
101.02446	0.6
113.02503	0.4
123.03263	6.9
125.02453	0.8
131.03535	0.7
138.05614	100.0
139.05901	0.4
139.88454	0.3
143.34532	0.3
149.04578	0.8
152.98364	0.4
180.06699	1.2
266.13641	0.4
293.08945	2.1
300.11002	2.2
432.15137	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	492.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
60.01717	0.4
61.01809	0.5
61.73313	0.2
61.98833	100.0
62.88721	0.2
64.36030	0.2
76.17651	0.3
82.97266	0.3
92.65104	0.2
96.22726	0.2
114.40046	0.3
211.06943	0.2
225.94530	0.2
484.37695	0.2
503.78406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49670	1.3
57.03459	3.0
59.01382	40.3
61.98819	1.4
64.43272	1.2
65.09244	1.0
73.02949	1.2
83.05066	1.2
104.85963	1.2
147.08147	2.0
149.09703	7.7
151.11278	1.6
163.11319	7.7
165.12859	1.4
170.25876	1.3
175.11296	5.7
187.11206	2.1
189.12842	1.9
191.14438	100.0
193.16043	4.8
205.12350	8.8
209.15437	7.4
235.13434	10.5
237.15045	6.3
253.18172	1.9
491.34143	20.4
503.19598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03448	1.7
58.00594	0.3
59.01384	100.0
60.01710	0.3
61.98835	1.1
71.01377	13.0
71.05054	0.3
72.99308	0.6
73.02941	3.8
75.00890	0.3
83.01382	2.2
83.05031	0.4
85.02953	6.6
87.00874	0.6
87.04496	0.6
88.98818	0.4
89.02433	6.7
91.45609	0.2
93.03463	0.3
95.01382	1.4
96.96007	1.0
99.00867	1.3
101.02447	10.6
113.02463	6.3
115.07692	0.4
119.03517	3.5
120.99670	2.0
121.02972	1.1
124.48391	0.3
125.02412	0.3
135.22655	0.2
143.03493	0.5
146.71681	0.3
151.00266	0.3
159.02998	0.5
161.04573	5.2
165.92708	0.2
179.05640	2.2
182.81351	0.3
251.16537	0.4
269.17581	10.1
431.22934	22.8
475.22086	1.6
491.24722	2.5
515.32050	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	491.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03445	2.2
59.01384	64.9
61.98839	4.7
62.85592	0.8
64.34533	0.9
70.05403	0.8
71.01379	15.8
71.05041	1.6
72.99303	4.9
73.02944	1.7
75.60819	1.0
83.01387	1.0
83.04997	0.9
85.02958	6.7
85.16651	1.0
87.00845	1.0
87.04512	54.9
88.98863	1.0
89.02444	10.9
99.04536	1.7
101.02444	5.4
103.20914	1.0
113.02462	6.3
119.05084	0.9
122.03735	7.4
123.04509	3.9
135.04555	3.9
137.09766	1.3
149.04559	1.4
161.04460	1.5
163.03996	4.5
191.07152	1.3
207.17560	3.5
209.06087	1.0
237.14961	1.0
263.57031	1.1
269.17606	100.0
280.70428	1.0
283.09695	4.4
291.53522	1.2
311.09265	9.9
311.22263	1.3
313.16599	1.5
314.11609	5.8
326.11694	7.0
329.13986	34.4
341.13858	9.3
342.14325	1.1
397.29645	1.0
431.22928	5.5
445.20810	1.9
491.28644	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	491.2872
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
53.93351	0.4
55.01891	2.0
56.94621	0.5
57.03458	3.2
58.00611	0.8
59.01386	63.5
61.98838	4.6
64.34949	0.5
69.03464	1.4
71.01384	23.3
71.05028	2.9
72.99320	3.1
73.02959	3.4
75.00855	1.1
83.01390	1.3
85.02954	7.3
85.06609	2.2
87.00845	0.7
89.02443	18.9
93.03468	1.2
95.01386	2.2
97.02972	0.6
97.06575	0.6
99.00880	1.0
101.02447	13.4
101.06084	0.8
108.02190	0.7
109.02981	2.7
113.02464	6.8
115.04021	11.5
115.07611	0.7
119.03520	4.8
121.03039	0.8
122.03716	1.3
122.46921	0.6
125.02458	2.6
134.73035	0.6
135.04512	1.4
137.02455	0.8
139.07623	0.7
151.00343	0.7
153.01956	3.3
161.04572	0.9
163.03986	1.1
164.80965	0.5
168.00296	0.6
213.54535	0.6
217.59767	0.5
269.17630	9.8
279.05212	0.8
293.21320	1.3
297.06149	0.7
306.05292	0.6
311.22327	15.5
314.11713	1.3
326.11469	0.6
329.13986	10.5
329.23306	5.2
415.54932	0.6
431.22937	3.7
433.26590	0.6
433.33154	0.8
473.27856	0.8
473.90530	0.6
491.28714	100.0
492.28915	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	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	0.9
57.03455	3.3
58.00601	1.3
59.01380	74.6
61.98835	6.9
69.03449	1.4
71.01376	26.5
71.05016	3.5
72.99314	3.3
73.02954	4.0
75.00873	1.5
78.02840	0.7
83.01400	3.5
85.02946	8.6
87.00893	1.2
89.02439	20.2
92.10157	1.6
93.03486	1.6
95.01399	1.1
96.95999	0.8
99.08127	1.1
101.02437	14.6
101.06075	3.8
109.02977	1.0
110.20008	0.8
113.02434	10.4
115.04015	12.1
119.03479	5.1
121.03020	0.8
122.03691	1.2
135.04489	1.0
161.04529	1.6
165.05518	0.8
179.05574	1.3
191.05675	0.9
239.03494	4.5
254.05692	3.4
269.17578	17.0
293.21353	1.8
311.22256	13.9
329.10367	1.3
329.13849	5.4
329.23260	6.0
431.22992	3.8
442.03998	1.1
445.20386	1.5
491.28610	100.0
492.28513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95388	0.8
55.04171	0.9
59.01385	24.1
61.98854	1.7
80.13554	0.9
83.05020	1.3
89.02442	1.1
91.04019	1.1
92.10143	2.2
117.03472	22.5
119.05022	11.9
121.02953	4.1
145.02962	100.0
163.03979	4.5
189.79230	1.0
191.14395	4.2
207.10323	1.3
237.15027	0.9
253.18225	0.9
271.22806	8.5
274.91510	1.0
331.26425	7.7
360.59811	0.9
399.20514	1.4
399.25467	25.8
417.26404	11.8
491.30051	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
56.99322	1.4
57.03455	3.4
58.00601	1.5
59.01385	100.0
61.98837	2.2
71.01379	36.1
72.99303	14.7
73.02948	11.9
75.00867	1.5
83.01393	8.6
85.02953	16.0
85.06570	2.0
87.00877	2.2
87.04498	2.0
89.02439	21.1
95.01402	2.7
96.86369	1.4
97.97163	1.5
99.00840	2.4
101.02435	27.5
112.45612	1.3
113.02441	12.2
114.80885	1.4
115.04025	3.3
115.07646	2.1
119.03500	5.8
121.02961	12.1
131.03508	11.6
149.04593	1.9
161.04602	13.2
161.70309	1.9
164.59273	1.8
201.11240	2.0
269.17612	41.2
311.22168	2.9
313.16623	38.1
329.14041	2.2
329.23169	1.7
357.85233	1.5
431.22934	7.7
445.20825	31.3
447.22467	2.2
491.21677	3.4
491.28671	52.3
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
51.30579	1.0
54.57232	0.9
57.03455	2.3
58.39920	1.0
59.01391	25.0
61.98841	5.9
69.03463	4.8
71.01383	4.3
73.02955	1.7
83.05042	1.8
84.04904	1.2
85.02953	1.8
109.02937	9.1
113.02485	5.1
121.02941	35.3
122.03728	26.6
123.04545	5.1
124.01688	1.7
136.05299	2.7
137.02498	2.2
149.06055	5.6
154.02762	2.4
162.03233	1.2
163.07660	1.6
169.08705	1.3
196.35071	1.3
221.11919	1.8
223.13361	2.4
237.14987	2.3
251.16637	1.6
314.11673	2.0
314.15292	52.5
329.17639	100.0
330.18100	1.5
388.54617	1.4
409.15445	1.8
491.27164	1.5
514.91583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
56.99322	1.4
57.03455	3.4
58.00601	1.5
59.01385	100.0
61.98837	2.2
71.01379	36.1
72.99303	14.7
73.02948	11.9
75.00867	1.5
83.01393	8.6
85.02953	16.0
85.06570	2.0
87.00877	2.2
87.04498	2.0
89.02439	21.1
95.01402	2.7
96.86369	1.4
97.97163	1.5
99.00840	2.4
101.02435	27.5
112.45612	1.3
113.02441	12.2
114.80885	1.4
115.04025	3.3
115.07646	2.1
119.03500	5.8
121.02961	12.1
131.03508	11.6
149.04593	1.9
161.04602	13.2
161.70309	1.9
164.59273	1.8
201.11240	2.0
269.17612	41.2
311.22168	2.9
313.16623	38.1
329.14041	2.2
329.23169	1.7
357.85233	1.5
431.22934	7.7
445.20825	31.3
447.22467	2.2
491.21677	3.4
491.28671	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33814	0.4
57.03452	17.6
59.01388	10.1
69.03462	0.6
71.01385	0.9
71.05015	6.8
71.40933	0.4
84.84993	0.3
87.04520	0.9
89.02446	0.7
95.05068	0.5
96.95947	0.4
97.06586	6.3
99.08185	1.9
101.02456	0.5
105.18265	0.5
109.02965	1.7
113.02465	0.4
119.18777	0.5
121.02971	0.4
123.04536	1.6
125.02489	0.7
137.02515	0.6
139.07674	0.9
139.11287	4.7
141.05591	2.7
141.09271	0.9
151.03998	0.6
157.08737	5.5
157.12376	5.4
167.10860	0.4
171.79646	0.4
183.10286	9.4
193.06841	0.5
201.07755	11.8
201.11357	100.0
202.11736	0.6
203.07207	0.9
245.08218	0.8
289.07144	4.7
431.15823	0.7
431.22931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.0
60.56534	0.4
68.57843	0.4
69.39958	0.4
71.01379	2.5
89.02473	3.3
99.81257	0.5
108.02251	0.8
109.02932	0.8
113.02460	0.8
121.02965	2.6
122.03738	19.4
135.04524	14.4
137.02440	1.0
147.04497	1.6
148.05295	1.9
149.06062	2.9
154.02719	2.2
156.21785	0.5
161.06075	1.0
163.02705	0.8
163.04025	16.7
165.05531	1.1
191.07146	6.2
269.17645	0.5
283.09793	4.3
287.12860	0.7
311.09305	6.7
314.11642	22.1
326.11536	3.9
329.13992	100.0
330.14343	1.1
341.14035	4.5
491.19464	1.8
491.28632	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	491.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
57.16188	0.5
58.00595	1.2
59.01386	63.1
71.01382	23.5
72.99322	3.5
73.95309	0.6
85.02958	3.0
89.02441	44.6
92.10904	1.4
101.02443	1.5
113.02456	4.3
119.03495	0.8
131.03511	3.3
135.04504	0.6
145.02974	3.4
149.04564	5.3
207.08257	0.6
211.07634	0.7
221.95053	0.7
223.09721	0.9
224.04903	4.5
225.09183	1.1
227.10811	1.4
236.16666	0.7
238.06398	5.9
239.10883	2.8
241.08600	3.3
251.07274	0.8
252.04308	0.9
253.08633	1.2
254.09547	1.2
255.10309	10.9
263.49326	0.7
266.05811	4.4
266.09366	0.7
267.10248	0.9
269.11838	4.3
270.12527	1.1
282.08948	1.2
283.09787	53.8
294.08923	1.4
295.09763	6.0
296.10501	3.4
297.11316	3.1
298.12119	5.4
303.27377	0.8
309.11572	1.3
310.08524	2.4
310.11954	2.4
311.09308	100.0
312.09662	1.2
325.11008	8.1
326.11630	50.4
328.29800	0.7
341.13974	75.4
406.88138	0.7
431.22885	2.7
491.28232	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
55.73752	0.5
56.01085	0.5
57.03463	1.3
58.00639	0.6
59.01387	54.2
61.98846	3.3
63.67287	0.5
65.79728	0.5
65.80125	0.5
68.72743	0.5
71.01388	15.4
72.99318	0.7
73.02946	4.7
75.00872	1.0
83.01413	1.3
85.02970	5.4
86.78103	0.5
87.00903	0.7
88.98838	1.1
89.02446	10.8
99.00912	1.0
101.02450	10.0
102.17605	0.5
109.02961	0.7
113.02457	5.8
115.07656	1.1
119.03527	3.2
121.02966	3.2
122.03747	20.5
124.01630	0.7
135.04526	12.1
137.02478	2.9
143.03482	0.9
143.54076	0.5
145.05235	0.5
147.04518	0.6
147.20190	0.7
148.05293	0.6
149.04982	0.6
149.06110	3.2
154.02774	1.2
157.08655	0.6
161.02452	0.7
161.04573	6.2
161.05975	1.4
163.04010	17.0
165.05560	2.8
177.38573	0.6
179.05634	3.1
185.48032	0.7
191.07184	4.5
198.03362	1.1
214.02901	0.6
226.02672	3.7
227.03497	3.2
242.02165	0.8
243.02992	2.8
267.10413	0.6
267.16156	0.6
269.17654	6.5
270.01733	3.7
271.02481	5.5
285.04050	6.2
299.02005	4.7
313.03641	9.7
314.03989	0.9
314.11655	17.9
328.05847	0.7
329.14005	100.0
330.14331	0.7
343.04572	0.7
361.18799	1.3
431.22995	16.2
436.45605	0.6
461.07492	4.6
461.18307	3.2
476.09543	4.0
491.11984	19.6
491.19412	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	489.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	8.0
59.01392	2.6
61.98848	3.8
76.58051	0.5
83.05025	4.8
97.06586	3.8
111.27126	0.6
123.08179	1.4
150.71153	0.6
167.10754	0.9
175.14886	0.9
175.49110	0.5
177.12852	0.9
193.15990	54.9
202.27267	0.6
219.13705	0.6
237.14977	100.0
238.15285	0.7
244.83919	0.7
487.33429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72302	0.4
59.01390	4.5
69.10419	0.5
88.33171	0.4
97.02917	0.6
118.59097	0.5
137.09660	1.5
147.08148	2.8
149.09724	7.2
160.09035	0.5
163.11281	8.1
175.11284	5.6
179.14445	0.8
181.12363	0.5
187.11310	5.6
189.12856	5.4
191.14439	100.0
192.14859	0.8
195.13959	2.9
205.12364	14.4
209.15466	9.4
217.12416	0.8
217.16013	4.5
235.13416	25.0
235.17159	2.0
253.14468	4.5
253.18156	3.7
281.26508	0.6
290.44492	0.5
471.31091	2.6
489.32144	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	489.3226
Annotation	Homaline
Peak:m/z	Relative Intensity
51.15245	0.9
54.94271	1.0
57.03462	6.7
59.01393	24.4
61.86100	1.1
62.35714	1.0
71.01400	8.6
71.05035	2.3
73.02950	1.5
73.08223	0.9
80.65266	1.0
81.03457	1.4
83.05048	4.5
85.02969	6.5
95.05029	2.2
97.06570	1.9
107.05069	2.2
109.06601	2.0
114.74169	1.3
123.08157	1.9
137.09692	1.7
147.08223	1.3
149.09717	8.0
151.11258	1.8
153.12900	1.7
163.11324	8.2
165.12802	2.1
167.31812	1.1
175.11292	6.9
175.14905	8.7
179.10782	1.4
179.14427	2.3
189.12837	5.8
191.14441	100.0
193.12350	2.8
193.16063	1.7
195.13972	1.8
205.12259	2.3
205.15939	1.8
207.13820	1.3
207.17459	1.3
209.15479	27.3
217.16002	5.1
219.13855	1.3
219.17546	1.8
233.15486	2.2
235.13377	7.5
235.17012	4.3
237.14912	8.4
251.12978	1.9
251.16496	2.3
253.14439	14.5
253.18057	15.2
273.18643	1.2
357.54248	1.3
458.12067	1.2
471.31049	2.1
489.32080	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68788	1.0
54.46988	1.1
59.01382	100.0
63.04123	1.0
82.57748	1.0
91.05231	1.2
132.33611	1.1
229.09982	1.3
355.32208	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	489.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69460	0.2
57.55546	0.2
59.01385	100.0
63.46379	0.2
92.10770	0.3
101.58552	0.2
139.52737	0.2
164.44038	0.2
189.16499	0.2
191.14368	0.3
274.36261	0.2
278.46399	0.2
339.80081	0.3
355.32166	2.0
367.24600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16740	0.3
59.01399	5.6
60.99320	17.2
71.01392	1.5
73.02947	0.4
83.00364	0.4
88.98808	100.0
89.02450	2.8
96.96005	1.7
99.92574	1.3
100.96379	0.3
101.02439	0.6
113.02462	0.3
116.92860	24.2
136.34596	0.3
169.49425	0.3
319.75946	0.4
431.23108	0.5
511.12668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15932	0.4
55.01886	0.4
55.70987	0.5
56.01536	0.4
58.43640	0.5
59.01389	18.2
68.68095	0.4
69.03445	0.6
71.01385	3.5
72.88068	0.6
72.99311	1.0
73.02954	4.6
75.00871	4.6
85.02963	3.5
87.00879	2.7
87.45943	0.5
89.02444	15.5
101.02451	1.1
103.04014	2.2
105.01926	1.0
131.03488	13.0
149.04561	100.0
158.43234	0.5
165.04034	3.3
179.05588	2.5
191.05594	2.5
193.06073	0.9
195.32826	0.6
267.95316	0.6
311.09912	2.0
448.23370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.7
57.03481	1.0
58.00599	1.7
59.01390	77.1
66.83174	1.1
69.03473	9.7
71.01389	69.9
72.99322	3.1
73.02951	13.2
75.00916	1.9
81.03491	5.2
83.01422	5.2
85.02980	10.2
87.00919	1.7
89.02448	84.7
95.01392	4.8
96.96021	8.6
97.02918	12.8
99.00877	13.5
99.04568	1.8
101.02434	14.2
106.04275	2.7
107.23031	1.5
111.00862	1.6
113.02494	7.3
113.47253	1.1
115.04019	8.4
119.05042	6.7
125.02456	48.3
131.03511	8.3
137.06090	61.3
143.03525	2.7
149.04572	10.3
164.04858	1.4
191.05666	2.3
228.41083	1.6
233.06689	22.3
293.08829	100.0
315.16122	1.3
431.15558	15.4
491.17288	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	489.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59466	10.1
54.90461	9.4
55.20552	8.8
60.36469	13.0
66.81870	9.7
151.99745	10.5
159.56453	11.8
163.82335	10.8
175.07672	93.8
198.55492	11.1
218.13234	100.0
219.13908	52.6
235.34595	14.0
251.34303	11.9
276.51019	11.9
283.11011	14.8
309.07709	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	489.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74030	0.5
53.44978	0.5
54.83118	0.5
57.03463	15.6
57.38565	0.4
58.52390	0.5
59.01382	3.9
60.99324	2.3
61.98857	1.3
69.03457	0.6
80.31468	0.6
81.03481	0.7
83.05048	3.5
83.43388	0.6
97.06597	7.9
99.04552	0.6
100.60762	0.6
125.09723	3.9
137.09721	1.0
149.09698	0.6
152.34154	0.6
159.11700	0.8
175.14926	100.0
189.16536	1.1
191.14444	2.8
193.15988	6.2
207.17577	61.6
208.18066	0.8
219.13899	1.2
225.18549	0.7
237.14993	47.0
251.16556	13.4
289.41760	0.7
510.36856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92088	0.9
53.80065	0.8
54.82821	0.7
57.03447	2.0
58.00615	1.0
59.01376	100.0
64.34462	1.0
71.01371	21.3
72.99300	2.0
73.02929	2.2
83.01379	1.8
85.02937	8.6
85.03392	0.9
87.58308	0.9
89.02430	15.1
92.10747	1.4
96.95989	11.5
97.02937	1.0
101.02431	13.8
113.02426	8.5
119.03480	3.9
121.02902	1.6
125.02427	2.3
134.50206	1.2
143.07156	1.3
161.04512	5.9
167.03394	1.1
179.05644	1.5
180.04222	7.6
191.05615	5.1
193.12163	1.0
195.06555	5.8
249.14905	10.9
267.16074	7.4
314.58466	1.0
345.15570	1.1
400.09253	1.1
429.21371	39.1
453.19922	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	489.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15929	0.8
53.49480	0.9
57.03453	1.3
59.01384	100.0
60.99314	2.3
61.98814	1.3
67.95411	1.1
70.83409	1.0
71.01385	19.0
72.99319	1.9
73.02966	1.3
75.00865	1.4
77.51757	0.9
82.95387	1.0
83.01389	1.3
85.02976	5.8
88.98803	18.0
89.02438	16.9
96.96011	1.2
99.04528	1.1
101.02446	10.7
113.02448	7.3
115.04006	24.8
116.92849	12.4
117.03481	2.4
119.03476	7.3
141.01688	9.7
145.02979	14.5
161.04634	1.2
166.06372	4.8
175.14992	1.5
179.05571	1.4
182.12552	1.1
224.89572	1.1
227.03510	8.4
251.16377	1.4
255.02994	12.0
267.16028	10.1
284.03357	8.5
285.03934	1.6
291.19696	2.2
309.20782	30.3
318.95947	1.0
372.48907	1.1
397.64316	1.1
429.21210	4.1
489.11124	9.5
489.17853	3.6
489.27130	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82936	0.9
55.01891	0.9
57.03450	1.9
58.00594	1.5
59.01384	100.0
60.68301	1.1
60.99306	1.0
61.98830	1.4
71.01379	30.7
72.99310	4.2
73.02943	1.6
81.03443	1.6
83.01409	1.6
85.02953	7.7
86.90707	0.9
87.00896	1.5
88.98816	5.3
89.02444	24.7
95.01389	1.2
99.00915	1.6
99.08162	4.2
101.02451	11.2
103.09212	1.0
107.08648	3.8
113.02461	10.0
115.04010	59.1
119.03504	10.1
123.08218	1.2
125.09689	1.2
143.03416	1.3
144.43735	1.1
161.13467	1.6
175.14915	17.1
179.05632	1.8
205.12444	1.3
229.19661	8.0
267.16074	9.6
269.12067	1.6
272.35614	1.2
273.18567	3.8
291.19687	6.4
309.20755	67.0
381.18405	1.1
383.31973	1.1
429.21329	4.1
489.27176	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74165	0.7
55.01880	1.8
55.15459	0.7
57.03448	3.4
58.00592	1.9
59.01376	80.2
61.98830	1.3
70.20978	0.8
71.01372	28.2
71.05027	3.7
72.99314	1.2
73.02934	2.0
81.03419	1.0
83.01379	3.7
84.87369	0.8
85.02927	8.6
85.06574	1.1
87.04554	1.0
89.02428	20.2
92.10143	4.1
94.18251	0.9
95.01398	3.8
96.95995	1.0
97.06574	1.1
99.00882	1.4
99.04485	1.2
99.08141	2.2
101.02415	16.4
101.06091	0.9
109.02941	1.0
109.06563	1.3
110.36978	1.0
111.08149	3.8
113.02428	10.5
115.03991	13.3
116.92868	1.3
119.03487	5.7
121.10181	1.6
125.02374	1.2
135.11734	3.6
139.79846	1.0
140.38310	0.8
161.04553	1.2
165.78310	0.8
167.10808	1.3
168.76991	1.1
173.08142	13.9
194.50522	1.0
202.19334	0.9
202.53833	0.9
231.13895	5.0
254.57849	0.9
267.16022	16.3
285.74750	1.0
291.19604	3.5
293.08542	1.0
309.17413	1.1
309.20496	7.5
327.21814	2.0
429.21460	2.1
455.83209	1.0
471.26013	4.3
489.27075	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82530	0.7
55.01891	0.9
55.45173	0.6
57.03463	0.7
58.00614	0.9
59.01382	100.0
67.46625	0.5
69.03461	0.9
71.01380	23.5
72.99309	1.0
73.02945	30.1
74.09703	0.7
75.00925	0.7
76.57562	0.6
83.01411	1.6
85.02942	13.3
85.03378	0.8
85.08920	0.7
86.00100	1.3
87.00875	9.6
87.04516	5.3
88.98835	0.9
89.02441	19.1
89.02932	1.0
92.10743	1.3
97.02958	1.3
101.02431	36.1
103.04004	15.7
109.03011	0.8
113.02454	1.6
115.03992	7.9
118.39008	0.7
119.03526	7.3
125.02467	1.5
126.47330	0.7
127.04054	0.8
131.03499	10.5
135.04536	3.5
143.03519	10.2
145.05104	7.1
163.06125	47.1
175.54610	0.7
192.32800	0.8
204.92671	0.8
205.07205	15.1
265.09256	6.6
267.15985	1.0
429.17426	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	489.2134
Annotation	Crocetin glucosyl ester
Peak:m/z	Relative Intensity
55.01883	0.6
59.01386	9.4
61.98850	5.1
62.44441	0.8
64.35226	0.7
71.01389	7.1
73.02982	1.2
79.18555	0.9
85.02955	1.9
99.04533	0.7
101.02460	4.1
108.02160	1.6
109.02213	1.6
109.02958	40.9
113.02460	3.2
123.04553	5.3
142.03108	0.8
161.04604	3.2
161.09758	1.4
172.05295	1.7
173.06073	6.2
184.48715	0.8
187.07674	7.0
188.08514	3.2
189.09250	5.4
191.14342	0.9
212.36015	0.8
213.05666	1.3
225.05568	1.3
235.13371	6.9
240.04289	1.8
241.05103	19.2
255.06665	17.4
256.07306	0.8
269.11899	4.0
297.11334	22.3
311.13110	5.5
312.13739	75.2
313.14169	1.0
327.16077	100.0
328.16458	1.0
393.17563	0.8
405.02795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2267
Annotation	Moralbanone
Peak:m/z	Relative Intensity
55.67519	13.9
59.01391	100.0
61.98837	30.0
71.01363	17.7
80.48821	17.0
83.05045	14.3
84.00965	13.3
105.20013	16.7
119.58568	14.4
141.10803	13.9
217.69537	16.1
397.14740	17.0
409.26251	20.8
411.14594	18.5
489.22293	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03455	4.9
58.99595	0.8
59.01379	100.0
61.98832	1.4
66.98797	0.8
67.27525	1.0
69.03465	1.3
71.01383	31.4
72.99324	1.9
73.02942	10.7
73.03293	0.9
81.03461	1.1
81.41698	1.0
83.01395	5.3
85.02957	15.0
87.00891	1.5
87.04541	3.8
89.02444	18.9
93.03436	1.1
95.01404	1.8
96.96039	4.8
97.02940	1.4
99.00874	2.6
99.04530	1.9
101.02432	25.7
102.98611	8.9
109.02969	2.1
113.02457	11.7
119.03506	7.8
122.03754	1.5
125.02456	2.5
131.03517	5.1
143.03545	2.1
149.04535	1.3
161.04558	7.9
177.01964	1.7
179.05528	1.7
189.01978	2.6
205.16035	1.1
217.01517	2.4
223.17029	5.0
241.05025	1.2
249.14977	2.1
267.16019	85.2
283.04944	5.1
297.13443	12.4
307.10080	1.4
309.17102	1.4
311.05591	1.2
312.29193	1.2
313.55740	1.2
357.06271	1.9
385.22339	1.4
429.21918	16.5
451.10397	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	489.162
Annotation	Teucardoside
Peak:m/z	Relative Intensity
57.03453	9.5
59.01385	35.8
68.99854	1.4
69.39040	1.0
71.01385	14.6
72.48697	1.0
73.02941	2.1
75.75229	1.0
81.03468	6.2
83.01385	18.1
83.01733	1.1
83.05035	2.2
85.02965	6.6
87.00893	2.5
89.00831	1.5
89.02431	15.8
93.03453	1.5
95.05037	7.7
97.02955	15.8
99.00869	1.8
101.02448	24.1
107.05005	1.2
113.02454	8.3
115.03969	1.8
119.03514	4.7
119.05038	5.0
121.02974	1.5
121.06564	2.5
125.02431	5.5
127.00365	2.0
133.06621	5.1
137.02441	1.5
138.03285	1.9
139.03999	2.1
141.01965	2.5
143.03561	1.7
143.08653	1.5
145.01459	6.8
145.06580	2.6
147.08182	4.4
149.09740	5.4
151.04057	1.9
156.54478	1.1
157.10243	2.5
159.08148	4.8
161.06093	2.4
161.09758	2.3
163.04280	1.2
163.07646	6.0
169.01434	13.0
175.11287	19.3
185.09724	6.3
187.07658	6.6
189.05522	1.5
193.08698	1.6
201.09293	2.5
203.10854	6.4
205.05164	1.4
205.08713	6.8
211.07684	2.7
229.08662	5.9
237.09276	2.8
247.09792	14.6
265.10980	2.2
291.08826	12.1
307.06754	1.4
309.09824	9.7
327.10901	57.7
369.12146	6.3
429.14120	1.5
489.16199	100.0
490.16354	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.2
57.03460	4.0
59.01385	81.9
69.03460	1.8
69.63667	0.8
70.24826	0.8
71.01380	52.1
72.99309	1.1
73.02946	26.3
83.01389	15.2
85.02953	31.4
85.03458	1.4
87.00865	0.9
87.70523	0.7
89.02433	7.0
92.10794	2.0
92.64578	0.8
95.01388	3.7
95.65989	0.9
97.02943	1.4
99.00886	8.2
101.02446	48.9
103.04024	3.3
113.02450	22.0
119.03484	1.9
125.02442	4.4
128.88976	0.8
143.03481	1.7
153.13780	0.8
159.03017	3.4
161.04553	19.2
163.06044	1.3
247.08250	1.2
283.11917	48.7
284.12262	0.9
429.17685	100.0
469.20782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.306
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01397	1.6
75.88498	1.2
89.69852	1.1
96.96005	2.5
98.95601	1.5
103.59146	1.2
109.02982	1.3
127.09885	1.1
128.43172	1.1
181.89565	1.2
207.24550	1.2
211.07597	2.3
265.14603	1.6
272.27994	1.2
434.65231	1.2
451.32999	1.5
487.11310	2.2
487.30630	100.0
488.31104	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	487.3437
Annotation	Yardenone
Peak:m/z	Relative Intensity
57.03470	62.9
59.01394	87.1
76.42033	15.3
83.05062	21.0
115.07626	15.8
118.47530	13.9
121.67793	13.9
134.14619	14.9
157.12398	15.3
170.29839	16.7
179.14447	20.8
179.59778	20.4
189.16498	80.5
205.15985	100.0
219.17555	17.5
233.15451	18.7
251.16527	18.4
260.67667	15.1
348.56152	20.2
487.34470	96.1
499.12469	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	487.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
58.64348	0.5
59.01386	100.0
100.81844	0.6
102.24067	0.6
197.04684	0.7
208.58296	0.7
234.99408	0.7
253.18056	0.7
346.79413	0.7
353.30679	4.3
355.66187	0.6
487.34143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52925	0.7
56.39725	0.6
57.27517	0.7
59.01388	100.0
60.09922	0.7
84.06481	0.6
84.91381	0.7
109.37888	0.6
128.46243	0.9
193.99443	0.7
221.15424	0.9
251.16649	1.1
253.18253	1.1
292.35529	0.7
353.30576	4.2
487.34009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34566	0.2
52.59495	0.2
52.85307	0.2
53.51377	0.2
59.01388	0.4
59.70141	0.2
61.98832	100.0
82.67760	0.2
109.34405	0.2
137.84415	0.2
174.34395	0.2
220.90414	0.2
431.52335	0.2
480.41757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05809	1.3
59.01395	23.1
71.01384	12.9
72.99307	5.9
73.02987	1.6
85.02965	2.3
87.00895	2.3
89.02437	6.5
92.73919	1.5
93.03465	23.5
96.96027	10.4
96.99312	2.8
98.95571	1.6
101.02453	2.8
102.98611	7.6
108.38129	1.4
113.02521	1.5
115.00366	2.5
117.03423	1.7
119.05029	28.1
130.04263	2.8
131.05070	10.4
135.04512	5.3
137.02406	1.9
143.05046	10.3
145.02936	3.4
145.06572	7.0
159.04517	6.3
163.04015	10.2
171.04538	6.9
177.05595	3.4
191.05658	5.9
210.06848	13.9
211.05911	2.0
211.07726	37.5
219.08156	3.0
223.07660	9.3
235.07672	8.7
236.08305	2.4
237.09251	75.7
238.09821	2.8
239.10777	12.9
253.03773	1.8
253.08702	6.0
256.04980	1.7
263.07141	2.3
264.07712	2.8
265.08768	19.4
289.06955	1.6
308.06812	1.5
327.10876	1.6
408.72464	1.5
449.49338	1.5
451.12717	2.7
489.14120	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17360	0.7
51.92837	0.7
53.35550	0.6
55.01881	1.6
57.03460	2.0
59.01103	1.7
59.01392	32.0
71.01389	12.4
73.02942	3.2
76.91489	0.8
78.42006	0.9
83.01390	7.2
85.02960	5.7
87.00890	3.1
89.02450	10.3
95.05043	4.4
99.00860	1.4
101.02443	22.1
104.16982	0.8
113.02458	5.1
117.07034	1.0
119.03506	4.4
119.08656	1.1
121.06574	1.5
127.00398	1.1
133.06628	6.6
135.08153	1.4
139.04015	1.0
143.08649	1.5
145.01442	4.7
145.06581	1.2
147.08162	3.1
149.09737	4.6
154.26869	0.8
157.10220	6.4
159.08104	6.0
160.05339	1.3
161.04663	1.0
161.06113	3.5
161.09682	1.1
163.07689	1.8
169.06641	1.0
172.05347	1.2
175.07681	0.9
175.11293	19.0
177.09146	1.0
185.09700	5.5
187.07649	6.1
201.09253	1.7
203.10815	4.7
205.08727	3.7
219.10287	3.9
229.08682	5.1
247.09773	7.8
258.40833	0.8
265.10843	1.6
291.08783	4.6
309.09811	8.0
354.25674	0.9
361.34180	0.9
489.16217	100.0
490.16431	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18509	2.2
53.65126	1.9
54.29538	2.0
54.41737	2.0
55.01887	30.1
56.48171	2.1
57.03461	2.5
59.01385	100.0
61.98835	2.6
68.50268	2.1
71.01383	53.9
72.46289	2.2
72.99315	36.0
73.02958	2.4
78.75812	2.2
83.01391	59.2
85.02962	12.0
87.00862	2.7
89.02440	56.9
92.10766	2.9
96.14659	2.2
97.79343	2.2
101.02435	26.3
113.02460	14.5
119.03471	18.9
127.00393	42.5
134.03746	4.2
143.03537	2.8
149.06078	2.7
161.04482	3.1
163.07608	3.0
178.02765	2.7
179.05554	23.2
193.05083	10.5
309.09943	4.7
418.62723	3.4
429.21420	3.1
453.10623	3.6
459.15338	4.8
489.16287	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04438	0.5
58.99598	0.9
59.01376	8.6
59.01626	0.7
61.98819	1.2
64.34728	0.8
68.34492	0.6
71.01391	0.8
73.02955	1.0
73.23660	0.6
78.62099	0.5
82.70085	0.5
85.02960	0.8
87.00852	14.9
87.04516	0.8
90.03772	0.6
102.98579	1.3
142.45459	0.6
150.23961	0.7
195.12166	0.7
219.05063	12.0
267.14230	100.0
268.14560	1.4
289.29974	0.6
487.20059	29.1
487.26837	1.4
488.20343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15899	0.9
54.83305	1.1
55.01883	1.4
57.03464	4.8
58.56513	0.9
59.01391	100.0
60.84888	0.9
61.98838	1.7
63.46903	1.0
71.01398	30.2
72.99304	2.4
73.02962	5.8
83.01421	2.6
83.05032	1.8
84.77345	1.0
85.02974	8.9
86.48878	1.2
87.00886	1.4
89.02451	26.8
89.88222	0.9
95.01403	1.6
96.96008	7.3
99.00903	1.9
99.92611	1.8
101.02448	17.4
109.02962	1.2
113.02469	9.9
115.04012	41.8
116.92863	24.0
117.01973	1.3
118.35395	1.1
119.03497	7.9
119.08669	1.1
130.23511	1.0
135.04536	2.7
136.05298	4.9
137.05617	1.5
140.14972	1.2
141.09233	23.8
147.11780	6.4
151.00351	7.6
157.08633	1.7
165.09245	8.9
166.09593	2.7
173.13322	6.6
179.05608	1.9
185.08202	33.4
201.16405	1.2
227.18068	4.5
265.14417	7.0
271.17130	2.3
289.18088	15.5
301.16684	2.3
307.19214	39.9
323.18811	1.8
325.19644	2.6
427.19879	5.4
449.11063	1.7
487.25470	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15899	0.9
54.83305	1.1
55.01883	1.4
57.03464	4.8
58.56513	0.9
59.01391	100.0
60.84888	0.9
61.98838	1.7
63.46903	1.0
71.01398	30.2
72.99304	2.4
73.02962	5.8
83.01421	2.6
83.05032	1.8
84.77345	1.0
85.02974	8.9
86.48878	1.2
87.00886	1.4
89.02451	26.8
89.88222	0.9
95.01403	1.6
96.96008	7.3
99.00903	1.9
99.92611	1.8
101.02448	17.4
109.02962	1.2
113.02469	9.9
115.04012	41.8
116.92863	24.0
117.01973	1.3
118.35395	1.1
119.03497	7.9
119.08669	1.1
130.23511	1.0
135.04536	2.7
136.05298	4.9
137.05617	1.5
140.14972	1.2
141.09233	23.8
147.11780	6.4
151.00351	7.6
157.08633	1.7
165.09245	8.9
166.09593	2.7
173.13322	6.6
179.05608	1.9
185.08202	33.4
201.16405	1.2
227.18068	4.5
265.14417	7.0
271.17130	2.3
289.18088	15.5
301.16684	2.3
307.19214	39.9
323.18811	1.8
325.19644	2.6
427.19879	5.4
449.11063	1.7
487.25470	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41441	1.2
54.83072	1.5
56.48419	1.4
57.03454	2.1
59.01385	13.2
59.57039	1.4
61.98840	3.2
71.64165	1.5
75.55338	1.4
105.66051	1.6
129.52335	1.9
133.89709	1.6
137.09721	3.7
149.09752	8.3
151.11278	2.5
153.12860	3.0
163.11305	9.4
167.10828	2.1
169.12273	4.0
172.07613	1.9
175.11295	3.1
189.12952	5.0
191.14439	100.0
205.12346	10.8
207.13972	2.0
209.15533	3.7
215.13022	2.4
221.15388	2.2
233.15463	2.5
235.13449	14.3
250.03728	1.9
253.14507	1.7
275.12701	30.3
376.25848	1.7
401.65894	1.7
405.26605	13.4
427.24695	3.0
487.26404	2.5
487.34238	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.2
59.01389	100.0
61.98842	6.0
71.05039	0.9
72.99358	1.2
73.02959	1.0
75.55373	0.9
81.03482	1.2
81.69154	0.9
83.05020	1.5
97.06600	1.5
99.04510	1.8
105.10719	1.0
107.12416	0.9
118.93859	0.9
121.06521	1.1
139.11337	1.3
145.75638	0.9
151.11258	0.8
152.20958	0.9
163.11237	2.0
178.00424	1.1
181.12283	1.5
201.11337	1.0
203.12665	0.9
251.16734	1.3
257.40961	1.1
265.07770	1.5
267.09082	1.7
367.18182	1.3
371.62778	0.9
379.28201	1.1
427.20041	4.7
506.66388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04630	2.8
57.03448	4.0
59.01391	100.0
61.98836	47.2
63.95819	2.6
69.03484	2.7
81.46304	2.9
83.05064	4.0
85.02969	3.9
92.11906	3.6
120.23444	3.1
137.09744	3.3
139.07756	3.5
169.81241	3.1
199.13414	39.5
264.82877	3.1
274.02478	3.1
291.92142	3.5
474.66318	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	485.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98834	64.3
64.34653	4.9
68.18076	4.1
75.00872	5.1
83.05030	5.7
91.79619	5.0
186.00932	5.4
192.67192	4.7
195.13905	6.6
230.15149	6.4
237.10916	4.8
239.12849	9.6
383.50073	5.7
417.13110	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	485.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67363	2.6
57.03467	6.2
59.01390	100.0
61.98840	49.5
66.26511	3.0
71.01389	2.8
72.87952	2.5
73.02950	2.6
81.32798	2.7
81.93641	2.6
85.02972	2.8
85.06619	5.7
99.04554	4.0
107.05078	4.0
135.08176	42.7
135.83397	2.7
137.09778	2.6
147.04552	22.7
147.08171	4.5
151.11292	3.2
152.04755	3.2
153.12898	4.7
172.65547	2.7
189.16516	79.6
191.14505	5.1
193.12360	5.8
207.17583	21.0
219.13841	3.5
233.15462	39.1
251.16559	55.4
265.34460	3.4
348.31696	3.0
485.25677	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	485.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01384	100.0
61.98835	37.0
66.59767	1.5
69.35358	1.5
72.60412	1.5
83.05054	7.4
85.06573	1.6
123.10789	1.8
153.09196	1.8
156.28679	1.6
163.07852	2.1
195.13928	18.5
199.13390	15.0
238.03198	2.2
239.12935	35.2
449.25363	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	485.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07459	0.4
57.03464	1.5
58.65464	0.4
59.01387	8.3
59.50381	0.3
61.98847	1.0
67.59266	0.4
69.03466	0.4
71.01393	0.4
71.05011	5.0
81.03479	0.4
83.05042	5.4
85.06599	1.7
89.02460	0.3
95.05028	0.4
97.06609	0.5
111.00879	6.4
111.08162	0.6
119.08668	0.5
123.08181	0.5
130.15034	0.4
135.08128	0.5
137.09737	4.8
139.11296	16.1
153.12851	0.7
155.14427	7.5
181.08716	2.6
197.11879	0.6
199.09770	10.4
199.13423	100.0
200.13760	0.6
225.12553	0.4
237.07826	0.4
325.23972	0.4
327.73499	0.4
389.89182	0.4
393.48740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18925	0.4
54.52800	0.4
57.03463	0.8
59.01384	7.3
60.99309	0.5
61.98837	2.8
71.05018	0.6
73.02945	0.5
83.05046	0.6
85.02959	1.1
85.06588	0.9
86.85551	0.5
87.04515	0.5
95.01698	0.6
97.02972	0.8
97.06641	0.5
110.75336	0.5
112.07127	0.5
135.08163	3.1
137.09688	0.8
139.11272	0.8
147.04575	2.0
147.08163	0.8
153.12862	6.3
157.54684	0.5
165.12939	0.8
167.66966	0.5
173.13393	0.7
189.16504	100.0
190.16798	0.6
191.14423	4.6
193.12358	3.4
205.16005	0.7
207.17569	30.8
222.02686	0.6
223.17030	0.9
225.18552	3.6
233.15503	7.9
251.16547	52.3
419.23563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30123	0.2
57.03462	22.5
59.01392	7.5
61.98838	2.2
64.18488	0.3
77.41555	0.3
81.26976	0.4
97.06591	8.8
99.90040	0.3
114.18359	0.3
120.05805	0.5
125.06136	0.3
125.09715	17.1
135.08141	0.4
137.09726	5.0
138.71632	0.3
147.90576	0.3
153.12915	0.7
160.84329	0.4
163.11292	4.9
189.16466	0.6
191.14432	1.8
199.13431	0.7
207.17569	100.0
208.17932	1.3
226.77277	0.3
233.15454	5.4
240.49699	0.3
251.16553	10.5
313.85770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.30873	0.5
54.85322	0.5
57.03462	0.9
59.01385	11.8
61.98838	21.5
83.05080	0.8
84.28926	0.6
91.72511	0.5
92.10712	1.8
95.64445	0.6
113.02483	0.6
116.43774	0.6
155.53600	0.6
173.06177	1.1
191.82750	0.6
411.32605	0.7
423.32700	2.7
439.31985	0.7
441.33685	3.1
449.30167	0.8
467.31717	25.6
469.72916	0.7
485.32822	100.0
486.33099	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	487.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94459	0.5
57.03463	0.8
59.01383	5.1
63.02405	0.6
65.00326	17.1
66.40221	0.6
71.01395	1.4
72.99324	6.0
75.59093	0.6
83.01387	8.3
89.02464	1.1
92.10161	1.0
93.03457	0.8
95.01408	1.4
96.96052	1.0
98.95620	0.7
102.98622	3.9
107.01396	25.9
113.00954	0.6
121.02962	2.4
123.00883	2.7
124.01673	4.7
125.02456	14.9
133.02988	0.7
134.03745	12.7
137.02489	3.1
139.00444	0.7
139.04008	2.9
145.02962	3.0
147.01073	0.7
149.02454	8.5
149.06116	4.3
151.00380	100.0
151.03999	14.8
152.01167	25.1
153.01939	1.3
159.04501	1.1
163.04019	0.8
164.01201	0.6
165.01945	2.8
166.02713	33.0
167.03522	14.9
169.01456	4.8
175.00304	4.8
178.02756	9.6
178.99869	30.5
187.04019	4.4
190.02664	0.7
191.03568	3.2
191.05585	7.6
192.00613	6.3
193.01442	9.8
193.05107	15.2
193.06766	1.5
203.03548	1.2
211.04105	2.4
214.02779	2.8
215.03554	16.9
222.94427	0.7
227.03557	2.4
228.31050	0.8
229.05145	1.1
231.02974	3.3
233.04681	1.2
239.03535	1.0
243.12387	2.3
255.03049	3.9
257.04626	4.3
267.06808	1.1
273.04135	3.6
283.02582	4.9
299.07751	3.9
301.03580	41.4
318.03772	2.4
319.04700	5.3
325.05664	9.6
433.07678	4.2
451.08948	38.5
487.14160	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	487.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64295	0.3
57.03454	1.8
59.01384	6.1
71.01382	3.4
72.99310	1.4
75.00872	0.3
85.02937	2.1
87.00893	0.6
89.02459	0.6
93.03465	1.2
96.96052	0.4
98.18614	0.3
99.00863	1.2
111.00882	1.2
119.05051	1.5
123.04463	0.4
129.01932	5.4
137.53253	0.3
141.01950	1.6
144.51811	0.3
158.17915	0.3
159.02985	2.7
163.04042	0.4
177.04083	2.5
183.08177	0.3
199.09726	0.5
205.12381	0.4
208.42615	0.3
210.06885	10.0
211.07671	100.0
212.08018	1.5
237.09105	0.4
265.08984	0.3
265.14539	0.7
269.04477	0.5
309.07761	0.6
327.08826	0.4
367.17474	0.3
374.47302	0.3
408.15668	0.3
427.19800	0.6
449.11230	0.4
487.12711	0.4
512.64142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21320	0.3
54.40213	0.4
58.80275	0.4
59.01380	4.4
61.98839	1.0
63.72596	0.4
64.35250	0.5
71.01398	0.7
96.48824	0.4
98.63248	0.4
107.05029	0.4
141.10487	0.4
146.06764	0.4
147.04515	0.6
147.44232	0.5
148.21964	0.5
171.10208	0.4
239.10716	0.5
251.16510	0.6
254.05859	52.2
263.10699	1.8
267.10159	4.1
269.08218	4.9
276.07965	1.9
277.08664	2.9
277.12292	1.0
278.09482	6.4
281.11838	3.4
291.10336	7.3
293.11850	19.0
294.09195	0.7
295.09784	10.6
295.62128	0.5
309.11328	8.4
310.12146	74.1
311.12393	2.2
325.14490	100.0
326.14890	1.0
362.67709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64728	1.2
52.87825	1.1
55.01874	1.3
57.03447	2.0
57.40538	1.2
57.72924	1.2
58.00608	1.2
59.01387	100.0
59.99781	1.1
64.93040	1.2
65.00337	6.9
69.03452	10.2
69.28284	1.4
69.49721	1.3
71.01383	81.4
71.01773	2.7
71.52277	1.2
72.99312	2.2
73.02942	12.3
75.00897	1.9
78.51874	1.2
81.03470	6.8
83.01395	9.6
85.02963	12.3
86.14162	1.3
89.02440	77.0
96.96009	15.5
97.02944	17.6
97.06557	1.4
99.00884	14.7
101.02441	14.6
102.90977	1.2
107.01376	14.0
113.02473	8.2
115.04005	12.8
116.92874	2.8
125.02449	51.3
131.03528	7.5
135.04530	75.4
136.04857	1.9
143.03525	2.0
149.04581	8.1
151.00395	86.0
153.00850	2.0
157.09059	1.6
161.04428	1.6
163.04042	70.3
178.06366	50.6
191.05653	7.3
193.08737	17.3
203.14455	5.4
221.15416	3.2
233.06709	29.2
247.13312	1.9
265.14429	7.5
287.05640	35.9
288.06204	1.6
289.06097	1.8
293.08829	22.8
307.15753	1.7
307.19189	2.9
316.21112	1.7
325.13028	2.9
325.90179	1.5
449.11124	27.2
451.11343	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92947	0.6
59.01387	2.8
61.98853	1.1
64.40778	0.6
66.99687	0.6
78.95908	21.0
81.11961	0.6
92.79492	0.7
93.11510	0.6
96.96971	1.2
98.13208	0.6
117.03470	9.6
121.02924	1.0
145.02963	42.3
152.99596	31.6
171.00691	1.0
178.12410	0.6
227.03271	2.6
255.23314	100.0
347.06042	0.7
404.92258	0.7
447.25467	63.4
448.25766	1.5
483.27301	49.5
507.84164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.7
59.75438	0.3
61.98838	100.0
70.75179	0.3
78.95911	0.7
84.97598	0.3
89.05643	0.4
90.84274	0.3
103.93315	0.3
138.96753	0.4
152.99571	1.8
173.68773	0.4
188.09384	0.3
255.23293	5.1
256.23660	12.1
358.36197	0.4
377.34552	0.4
484.27692	4.5
502.67331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63120	0.1
57.03455	0.8
59.01386	2.1
61.98830	0.3
69.03455	0.4
71.01380	0.9
73.02960	0.3
79.95739	13.7
80.96521	0.9
83.05072	0.2
85.02961	0.4
85.06595	1.8
87.04524	0.4
88.98817	0.2
89.02470	0.4
95.95238	1.6
96.96012	100.0
98.95634	0.2
99.04520	0.2
101.02444	0.3
104.97787	0.2
110.97603	1.5
113.02467	0.3
119.52002	0.2
125.02478	0.2
128.04759	0.2
137.02434	0.2
141.95700	0.2
152.01184	1.7
153.01949	0.3
159.48305	0.2
161.04582	0.2
164.98645	0.8
166.02621	0.2
167.00212	0.2
167.03519	1.1
179.03450	0.3
181.05058	0.2
191.03522	0.2
199.09785	3.4
201.12885	0.2
206.05907	0.3
209.08179	0.2
212.93211	0.2
213.31244	0.2
221.08194	0.8
227.12865	0.2
263.12924	0.3
293.16122	0.4
305.03372	1.3
347.04471	0.3
415.42776	0.2
425.20560	0.4
470.09073	1.6
485.11334	40.9
486.11703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01383	6.6
71.01394	1.6
71.01829	0.7
71.88602	0.6
81.83237	0.6
83.75974	0.7
85.02940	1.1
89.34888	0.7
92.10114	1.5
95.51671	0.8
96.96009	9.0
97.06595	7.4
98.95621	1.0
107.04987	1.2
109.02917	0.9
110.31595	0.7
111.04533	1.8
111.08138	0.8
121.06612	5.4
122.03734	13.0
123.04446	0.9
135.04524	6.5
136.05302	61.6
137.06102	0.7
137.09708	1.2
139.07671	6.4
141.09203	2.9
147.08119	1.7
148.05353	1.0
149.06082	9.2
150.06870	12.1
151.00328	2.7
151.07646	24.5
155.10829	1.1
157.08707	45.0
162.06856	3.2
163.07639	2.8
164.08430	4.3
165.09212	100.0
171.10291	5.5
185.08211	2.8
201.12820	1.3
204.11623	0.8
218.53226	0.8
261.18649	5.0
263.12939	1.1
286.54480	0.8
287.05768	0.8
287.16864	1.0
305.17624	17.2
308.16412	1.0
322.17776	5.6
323.18668	74.3
337.20383	1.2
365.19452	0.9
485.24014	84.6
486.24237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03454	8.1
59.01384	100.0
61.15194	1.1
61.98840	7.4
64.47123	1.5
69.03468	1.8
71.01373	2.7
71.05006	2.4
73.02947	2.3
75.00894	1.3
81.03459	3.3
81.08041	1.3
83.01363	2.7
83.04996	5.0
85.02985	1.6
85.06596	1.5
88.05058	1.4
95.04998	2.4
97.02946	6.0
101.02441	2.1
107.05054	1.7
109.06583	1.9
111.04464	1.6
113.06077	3.3
121.02951	1.7
121.06522	2.0
123.08138	17.5
125.06071	2.6
139.07605	1.4
141.09229	14.2
151.11154	1.9
161.09653	2.5
177.12805	6.5
179.10799	16.2
195.13770	1.6
199.13342	1.8
223.09729	12.9
259.20615	7.6
285.18604	2.3
303.19550	5.3
304.06467	1.5
321.20651	2.3
329.17514	1.5
347.18518	20.3
365.15396	2.8
365.19684	65.4
425.21637	12.3
485.23575	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58322	1.2
52.17851	1.3
54.44184	1.1
55.01888	6.6
56.76540	0.9
57.03459	2.8
59.01386	50.3
61.98821	2.1
65.00316	2.1
69.03439	1.7
71.01385	42.3
72.99320	2.1
73.02948	22.1
82.95415	1.9
83.01386	14.0
83.05026	2.4
85.02956	26.6
87.00899	2.7
89.02449	6.8
92.88652	1.1
94.39328	1.3
95.01370	2.6
95.05013	1.1
96.96025	2.6
97.02921	1.8
99.00871	8.6
101.02444	43.2
101.03091	2.2
107.01402	5.1
109.06572	1.5
113.02454	17.3
115.03943	1.5
121.02988	4.4
123.04523	1.7
125.06094	1.1
131.03485	4.6
135.08148	1.8
137.09732	27.8
151.00380	12.7
159.02992	5.0
161.04601	10.1
165.01816	1.3
169.01361	1.7
178.99754	4.1
181.08739	23.8
183.10268	2.5
213.11482	1.5
263.07501	1.3
291.15121	2.0
291.18192	40.6
301.03662	17.3
423.22473	100.0
457.37799	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	483.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01522	0.7
55.01889	6.8
57.03461	5.0
58.00616	1.2
59.01386	100.0
59.88455	0.7
65.62145	0.8
67.60415	0.6
69.03454	1.0
71.01380	42.7
71.01772	1.5
72.42789	0.9
72.99314	0.9
73.02948	18.7
75.00896	0.8
83.01398	12.3
85.02952	20.7
87.00893	1.4
89.02444	15.5
95.01420	2.0
97.02940	0.9
99.00883	5.8
101.01778	1.8
101.02444	49.3
111.00916	3.2
113.02447	16.3
116.36463	0.9
129.01901	1.0
131.03522	19.9
143.03488	1.5
149.04567	1.1
159.02995	1.8
161.04558	8.3
185.28073	0.8
210.81172	0.9
222.88445	0.9
233.06731	1.1
291.18192	59.5
310.80389	0.9
423.22464	83.3
424.22501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.8
57.03455	3.3
58.00612	1.3
59.01386	100.0
61.98840	3.4
63.62864	1.3
66.46960	1.3
71.01384	35.4
73.02953	18.5
74.32636	1.7
75.73605	1.1
77.36509	1.2
83.01391	7.5
85.02952	23.6
87.00874	2.7
87.17600	1.4
89.02461	7.1
95.01413	2.9
96.96043	1.7
99.00876	10.2
101.02441	44.7
103.63209	1.3
113.02452	18.1
119.08675	29.6
131.03517	22.2
143.03534	2.1
159.02998	2.7
161.04556	11.9
170.46318	1.4
181.08675	2.5
225.14937	2.0
277.16620	6.4
285.17108	2.8
291.18164	79.7
306.98999	1.8
423.22452	32.0
483.19846	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	483.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83160	0.9
55.49005	0.9
57.03452	1.5
57.56619	0.7
59.01386	100.0
60.01719	1.2
61.01811	1.2
61.56819	0.8
61.98832	17.2
71.05009	0.9
76.95256	0.9
83.05029	1.6
85.02956	2.0
99.04513	1.2
109.06603	1.2
113.01241	1.0
157.12308	1.1
205.15912	1.1
219.14195	1.1
228.54370	1.0
423.31296	1.3
483.32550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2001
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
51.36281	5.2
57.03458	6.8
59.01388	100.0
61.98845	34.0
64.39805	6.5
71.01395	26.9
73.02949	9.5
82.07806	5.8
83.77969	6.7
92.10773	7.3
96.96024	13.1
101.02460	11.7
127.19183	7.3
128.24667	6.1
149.04472	6.6
150.76976	6.3
153.19649	7.5
163.07619	11.3
198.86914	7.3
261.11237	26.4
283.15512	25.8
345.96005	7.8
423.21304	11.4
483.19614	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
50.57114	4.8
57.25724	4.7
58.66180	4.8
59.01387	100.0
59.01654	6.7
60.70544	6.0
62.40165	5.6
62.78383	5.1
71.01383	5.6
72.25163	5.1
81.81582	5.1
84.18899	5.1
88.77464	7.0
96.96038	7.1
104.33490	6.0
121.06617	10.0
125.02495	6.3
148.05322	7.0
150.62773	5.5
163.07645	50.5
171.16817	5.7
173.13930	6.9
178.27051	5.8
183.10301	15.5
217.12498	8.0
261.11328	39.2
326.95819	6.8
483.19913	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.1
57.03455	5.9
59.01387	100.0
71.01379	36.5
71.01761	0.9
72.99349	1.0
73.02946	16.6
75.96099	0.7
83.01389	8.1
85.02950	24.1
89.02425	6.2
95.01401	3.3
96.96010	1.1
97.02934	1.3
99.00881	6.9
101.02445	46.0
102.98568	0.8
106.75541	0.7
113.02484	15.8
125.02477	1.8
131.03516	19.8
140.49942	0.8
143.03546	1.8
159.02992	3.1
161.04590	13.8
183.10359	1.0
200.18945	0.8
215.53960	0.8
230.80626	1.0
230.85136	0.9
291.18188	83.5
292.18600	1.1
321.92776	0.8
386.32816	0.9
423.16779	1.3
423.22473	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21439	0.3
51.10471	0.3
53.00391	0.3
57.03447	0.4
59.01386	100.0
61.79369	0.4
61.98825	0.5
69.03439	0.4
71.05028	0.8
75.00098	0.4
83.05050	0.6
86.56591	0.4
97.06598	2.0
104.38230	0.5
107.60877	0.4
111.08163	0.8
121.06604	0.5
123.08128	0.7
125.09704	0.5
131.63431	0.4
145.02985	0.5
151.11276	0.6
156.23537	0.4
163.04095	0.4
163.07257	0.4
163.11310	3.8
167.10721	0.5
178.98584	0.4
181.12297	1.0
219.17128	0.4
263.11996	0.4
277.66345	0.4
403.51953	0.4
421.29453	0.6
430.77658	0.5
465.32919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17931	0.3
54.82808	0.4
57.03448	0.7
59.01383	100.0
61.98826	0.6
64.34660	0.3
68.36747	0.4
68.97340	0.4
71.05052	0.5
83.05025	0.9
94.08026	0.4
97.06578	3.4
111.08157	4.0
118.41540	0.4
129.55692	0.4
163.11240	2.8
167.10776	0.9
169.12352	0.9
181.12309	3.4
233.15462	0.5
251.16588	0.5
301.53506	0.4
421.30151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71383	0.3
57.03447	0.4
57.94494	0.3
58.59192	0.4
59.01385	1.6
59.29185	0.3
63.02426	0.4
63.72761	0.4
65.00331	0.7
65.48273	0.3
68.99580	0.4
71.01380	0.4
77.53320	0.4
79.52782	0.4
83.01389	1.5
84.39890	0.4
86.66718	0.4
89.02434	0.5
89.08184	0.4
93.99989	0.4
96.96022	5.8
107.01412	4.8
108.02209	1.7
109.02966	3.1
113.02400	0.4
121.02964	5.2
129.09348	0.5
130.70203	0.5
135.00887	0.7
137.02505	0.5
145.72952	0.4
148.01657	1.6
149.09798	0.5
151.00388	20.3
152.75061	0.5
163.00391	6.0
164.01199	1.5
167.54337	0.4
169.01353	0.6
173.06053	0.4
175.99016	0.4
178.99872	8.6
183.04526	0.7
187.03986	0.9
190.99886	0.7
201.05663	1.7
201.11458	0.5
211.04044	1.6
213.05611	0.5
226.02794	2.3
227.03590	3.6
229.05048	1.6
243.00679	0.7
243.03020	12.6
245.04556	3.1
254.02226	2.6
255.03026	30.1
266.02222	0.7
271.02536	56.7
272.03085	2.0
273.04077	1.9
276.59818	0.5
283.02591	3.0
284.03464	0.5
291.82947	0.4
299.02023	1.0
300.02808	100.0
301.03589	61.9
301.07202	0.9
302.04233	0.5
447.09430	88.5
448.09680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98842	0.1
61.99263	0.1
62.53159	0.1
73.52385	0.1
78.95904	4.2
79.95742	1.6
96.96014	100.0
96.96911	7.4
130.79895	0.1
136.99081	0.2
153.15280	0.2
159.90016	0.1
167.46381	0.1
169.10550	0.1
169.14267	0.1
407.62177	0.2
428.14575	0.2
483.22552	0.6
500.54193	0.1
508.64508	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98842	0.1
61.99263	0.1
62.53159	0.1
73.52385	0.1
78.95904	4.2
79.95742	1.6
96.96014	100.0
96.96911	7.4
130.79895	0.1
136.99081	0.2
153.15280	0.2
159.90016	0.1
167.46381	0.1
169.10550	0.1
169.14267	0.1
407.62177	0.2
428.14575	0.2
483.22552	0.6
500.54193	0.1
508.64508	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98842	0.1
61.99263	0.1
62.53159	0.1
73.52385	0.1
78.95904	4.2
79.95742	1.6
96.96014	100.0
96.96911	7.4
130.79895	0.1
136.99081	0.2
153.15280	0.2
159.90016	0.1
167.46381	0.1
169.10550	0.1
169.14267	0.1
407.62177	0.2
428.14575	0.2
483.22552	0.6
500.54193	0.1
508.64508	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.9
57.03453	1.5
57.50104	1.2
58.99155	1.1
59.01392	100.0
68.49361	1.1
69.03478	2.4
71.01392	91.4
71.05056	2.4
72.99318	1.7
73.02952	19.6
81.03485	1.8
83.01408	6.8
85.02960	31.4
88.11701	1.5
89.02450	38.0
95.01399	8.1
96.96031	7.3
97.02975	5.5
98.95613	2.1
99.00871	11.4
101.02441	41.6
106.14904	1.3
113.02460	29.0
121.14656	1.6
125.02452	13.1
131.03487	17.9
134.00224	1.5
143.03506	7.3
144.66057	1.5
147.06645	10.3
149.04562	11.4
159.02992	2.7
161.04568	54.9
180.17854	1.4
191.05533	2.1
193.90971	1.4
201.07716	2.7
291.10922	34.1
293.08841	24.0
342.52127	1.4
413.21439	1.4
423.15292	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89368	2.0
55.01890	3.4
55.62525	2.0
57.03465	5.6
59.01393	92.6
61.98843	100.0
69.03492	3.4
71.01384	40.4
73.02950	22.6
83.01403	9.9
83.05068	2.2
85.02972	23.9
89.02466	14.0
92.10780	7.4
93.03480	9.2
95.01371	2.9
96.96041	2.8
101.02449	47.9
103.85343	2.5
111.00875	3.2
113.02457	19.0
125.06120	5.4
131.03508	16.7
139.11282	13.6
161.04523	10.0
167.10742	3.3
173.04553	9.3
175.13831	3.1
177.40720	2.6
181.08725	12.8
195.10248	30.1
239.16425	3.6
243.08394	3.1
259.09796	3.8
259.19214	25.6
261.09586	9.0
283.15512	63.8
284.15829	3.0
285.17072	3.9
289.16614	88.5
362.27298	2.9
421.08292	3.1
421.20825	39.7
481.18265	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	481.2813
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
55.01886	3.8
57.03459	4.5
59.01390	100.0
61.98840	2.1
69.03455	1.6
71.01396	13.4
73.02951	7.3
82.11190	0.8
83.01408	4.6
83.05051	2.0
85.02962	11.3
96.46397	0.8
97.06583	1.2
99.00894	1.6
99.04504	2.1
101.02445	11.1
108.09404	1.0
111.04547	1.2
113.02466	4.9
116.92895	0.9
137.09787	1.2
151.11447	0.8
155.10846	1.1
165.12930	1.1
183.13863	1.4
189.12926	1.1
200.94765	1.0
211.13448	25.0
217.16010	5.2
269.11404	1.0
319.22821	20.9
421.29941	1.5
481.28177	78.7
489.53711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33366	0.3
50.74603	0.4
52.44139	0.4
52.52157	0.5
57.03455	10.7
59.01379	5.3
61.98828	0.7
69.03454	19.4
69.03806	0.8
71.05022	9.0
72.15208	0.5
83.05046	0.9
85.02972	0.6
85.06602	3.1
97.06572	0.5
111.08175	0.7
114.39422	0.4
116.17853	0.5
123.08138	1.0
137.02428	0.6
139.11290	12.5
141.09248	4.3
151.11288	5.5
165.01904	0.5
167.14420	5.7
211.13426	100.0
212.13690	0.6
227.12776	0.6
446.23755	0.5
481.22675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01387	2.7
79.95743	0.5
84.57648	0.4
85.02975	0.4
85.06590	4.5
97.06615	2.4
109.06638	0.4
123.08083	0.6
123.09156	0.4
131.16449	0.4
131.27325	0.5
136.05316	0.5
145.36652	0.4
151.07619	0.9
153.12794	0.6
157.08723	1.7
158.07759	0.5
167.10759	0.9
229.81435	0.4
274.02756	0.5
274.81274	0.4
363.19699	0.6
490.47256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01393	10.3
60.96129	0.2
61.01857	0.2
61.98853	0.4
71.01402	0.2
71.05028	0.4
75.04259	0.2
81.03501	0.3
83.05036	0.2
85.02974	0.2
85.06614	1.0
97.06615	1.4
101.46913	0.2
103.84069	0.2
107.05079	0.3
109.06647	0.3
111.08215	0.4
113.09738	1.3
119.73370	0.2
123.08147	1.3
125.09724	8.9
127.07732	0.2
133.10254	0.4
135.08154	0.9
137.09731	0.4
139.11296	6.4
147.04518	0.2
149.09712	1.1
149.13383	3.6
151.11299	45.4
152.11655	0.9
153.11902	0.2
163.11295	0.3
165.12863	15.2
167.14424	67.6
168.14771	1.2
169.08652	0.3
181.12387	0.5
193.12349	1.4
195.14017	0.3
202.96233	0.2
211.13435	100.0
212.13800	1.6
213.14059	0.5
247.13402	0.9
249.15189	0.2
251.16571	0.3
269.17523	1.6
285.17188	0.2
413.26065	0.3
421.29886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82832	0.3
59.01386	100.0
61.98824	0.4
71.05016	0.4
76.57704	0.3
78.95902	0.4
83.95568	0.3
113.78973	0.3
115.89996	0.3
123.08162	0.5
125.09721	0.5
152.99593	1.9
159.38393	0.4
163.11290	0.5
171.00688	0.4
195.13872	0.6
240.09454	0.4
245.04324	0.7
253.21669	0.5
257.12570	0.4
272.25153	0.4
355.24438	0.4
400.27707	0.4
421.30075	0.5
481.25867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59633	1.6
55.01878	2.5
57.03449	8.0
59.01386	100.0
61.98839	42.2
69.03490	2.6
71.01382	35.3
71.05035	1.9
73.02959	21.1
83.01405	12.3
85.02950	19.1
86.12428	2.0
87.00903	2.2
89.02464	11.2
93.03455	3.5
95.01384	1.9
96.96056	1.9
97.06592	1.9
99.00878	4.5
99.26987	2.0
101.02441	40.9
113.02480	18.5
125.02467	3.4
131.03514	21.2
135.04567	2.2
137.09784	2.3
139.11296	12.0
161.04538	8.1
167.10741	4.8
173.04486	2.7
179.07030	2.0
181.08746	4.3
195.10281	20.4
203.14386	3.4
240.73080	2.1
243.08582	4.3
259.19022	9.9
261.09576	2.9
275.09247	2.5
283.15552	49.4
289.16589	80.3
421.20941	51.8
481.17581	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18878	0.7
50.86850	0.6
53.25855	0.7
54.22520	0.7
54.82828	0.7
54.83075	0.8
55.01876	5.0
57.03439	2.9
58.50825	0.6
59.01377	100.0
59.84111	0.6
60.45425	0.6
61.98831	3.8
70.15075	0.8
71.01374	30.6
72.99315	3.4
73.02927	11.3
83.01366	8.6
85.02941	19.3
85.03397	1.3
87.00865	1.4
88.98808	1.0
89.02427	8.5
92.10762	2.8
95.01360	1.5
97.02929	1.2
99.00866	8.2
101.02425	35.3
111.00887	1.0
113.02435	16.7
118.59377	0.8
119.03499	1.0
121.02917	1.3
121.55602	0.9
125.02449	1.6
129.22827	1.0
130.78255	1.0
131.03490	26.4
137.02455	0.8
150.06851	0.8
151.00385	1.3
159.02998	1.9
161.04568	9.8
170.51534	0.9
181.70251	0.8
199.09723	0.9
255.03014	1.3
271.02560	3.3
289.16568	74.1
300.02841	1.8
301.03363	2.0
365.52905	0.9
373.23880	0.9
421.20804	20.1
445.07956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28883	0.8
51.68354	0.8
53.88934	0.9
55.01890	4.5
57.03454	2.3
58.00597	1.1
59.01386	100.0
61.98843	11.8
71.01385	34.9
72.99310	1.6
73.02957	13.7
83.01395	6.9
85.02943	22.0
86.00143	1.2
87.00903	1.9
89.02433	9.5
95.01431	1.4
96.95992	1.3
99.00874	5.5
101.02444	34.4
113.02472	14.6
114.64933	1.1
119.03474	1.5
120.63721	1.1
121.02969	1.1
125.02480	1.4
131.03506	26.4
142.39799	1.0
151.00409	1.6
151.07690	2.1
155.10724	1.3
159.03006	1.9
161.04567	9.8
191.05643	1.8
199.09709	1.7
213.11397	7.3
227.03203	1.1
230.36920	1.1
259.19226	1.5
266.72296	1.2
271.02570	2.4
289.16623	70.5
300.02844	2.5
301.03531	5.3
309.46292	1.2
421.20889	24.4
445.07950	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	481.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28883	0.8
51.68354	0.8
53.88934	0.9
55.01890	4.5
57.03454	2.3
58.00597	1.1
59.01386	100.0
61.98843	11.8
71.01385	34.9
72.99310	1.6
73.02957	13.7
83.01395	6.9
85.02943	22.0
86.00143	1.2
87.00903	1.9
89.02433	9.5
95.01431	1.4
96.95992	1.3
99.00874	5.5
101.02444	34.4
113.02472	14.6
114.64933	1.1
119.03474	1.5
120.63721	1.1
121.02969	1.1
125.02480	1.4
131.03506	26.4
142.39799	1.0
151.00409	1.6
151.07690	2.1
155.10724	1.3
159.03006	1.9
161.04567	9.8
191.05643	1.8
199.09709	1.7
213.11397	7.3
227.03203	1.1
230.36920	1.1
259.19226	1.5
266.72296	1.2
271.02570	2.4
289.16623	70.5
300.02844	2.5
301.03531	5.3
309.46292	1.2
421.20889	24.4
445.07950	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	481.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43663	1.9
54.76933	2.1
54.82741	1.9
56.29374	1.9
57.03452	5.0
59.01384	43.0
65.00348	10.4
69.49776	2.4
71.01390	16.6
73.02940	9.4
77.19946	2.3
83.01379	4.2
85.02986	3.4
87.00909	5.4
89.02448	12.6
91.35966	2.2
93.03423	3.7
93.93265	2.5
96.96014	30.2
97.22478	2.5
98.95609	19.4
101.02463	14.5
107.01408	21.4
111.04549	3.0
113.02443	2.8
116.92860	12.0
119.05011	9.9
124.01746	3.2
125.02422	29.0
131.03523	4.7
143.03441	4.7
149.02481	9.7
151.00380	64.7
151.04016	11.8
152.01097	3.4
163.06192	3.1
165.01874	2.5
166.02727	16.7
167.03481	10.1
175.00461	2.6
178.99889	9.4
187.03983	3.2
191.05620	5.8
192.00661	3.5
193.01430	2.4
205.07201	4.5
215.03484	12.4
228.46802	2.7
229.00609	2.4
255.02960	2.9
271.17328	2.7
301.03619	26.4
343.42770	3.2
389.65842	2.7
401.10614	3.7
445.17206	100.0
481.15234	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	481.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	6.1
59.01392	100.0
61.98845	47.8
71.01382	84.0
73.02948	53.3
75.69260	6.5
83.01402	7.0
85.02988	31.9
89.02454	35.1
92.67121	6.4
95.01394	6.2
96.96051	20.5
99.00890	10.4
101.02427	50.0
108.02041	7.4
113.02444	12.6
128.01062	7.5
131.03513	9.1
139.02046	6.1
151.11328	12.9
161.04543	9.1
168.46065	7.7
183.04559	10.3
195.89716	6.5
203.05206	31.7
227.03604	10.8
247.04083	33.6
283.15445	14.3
289.16818	64.3
319.06284	25.7
410.53845	7.7
421.20956	78.2
445.21097	9.3
481.18442	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08836	1.2
58.64982	1.0
59.01376	12.2
61.98822	1.7
63.02414	1.7
65.00321	25.5
71.01395	6.6
71.99498	1.4
72.99276	1.4
78.67341	1.5
83.01380	12.9
85.02961	3.3
89.02444	6.7
92.10715	2.2
93.03462	2.9
94.16782	1.3
95.01413	1.7
96.96011	8.0
101.02454	2.5
107.01379	35.0
121.02924	2.1
123.00838	2.2
124.01658	5.8
125.02417	12.1
137.02431	2.5
139.04030	3.3
147.00807	1.4
149.02425	10.9
151.00363	100.0
151.03983	21.8
152.01132	10.0
159.04518	2.3
164.04933	1.4
166.02684	36.0
166.80002	1.3
167.03517	16.3
167.04828	2.4
169.01416	2.4
177.02005	1.6
178.99849	16.8
187.04039	5.9
191.03549	2.5
191.05591	21.5
192.00659	6.8
193.01524	1.6
203.03510	2.6
211.04111	2.1
213.10347	9.3
215.03496	15.1
231.03058	2.8
233.04443	2.1
239.03381	2.6
255.02968	3.2
257.04495	1.7
273.04193	1.5
283.02478	6.8
284.59055	1.5
301.03558	50.7
301.12042	3.1
323.05426	1.4
329.08789	3.0
355.06750	7.5
356.26010	1.4
481.09427	3.0
481.16650	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	481.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01999	1.0
57.03465	20.7
59.01389	12.0
61.98837	8.2
63.02415	4.9
65.00339	5.6
71.01399	6.3
74.33060	1.1
74.99107	1.2
77.36773	1.0
78.91891	1.5
79.83047	1.1
81.03458	1.3
83.01388	9.9
84.98790	1.0
85.02959	2.1
87.00899	1.7
89.02447	4.6
92.10143	1.9
93.03482	2.7
95.01376	4.6
96.48098	1.1
96.96025	7.2
99.04457	1.2
101.02460	2.6
107.01383	8.7
107.70718	1.1
108.35582	1.0
109.02973	9.1
111.04546	1.8
114.93399	2.0
119.05051	2.2
121.02953	1.9
123.00906	8.0
124.01655	8.2
125.02438	100.0
130.08755	1.3
133.05078	1.1
135.04485	1.4
137.02435	13.7
138.03224	2.1
139.03990	10.7
149.02451	2.9
151.00380	35.1
151.04018	1.5
152.01173	9.6
153.01935	23.2
155.03520	4.9
159.04478	2.0
161.02432	1.6
163.00363	1.7
163.04004	2.4
164.01201	2.2
165.01936	24.7
166.02646	1.8
167.03487	25.5
169.01433	4.6
171.04428	1.2
175.00426	1.9
175.04036	1.9
176.01050	1.9
177.01955	1.8
178.99886	25.6
187.04022	2.6
190.02742	1.9
191.03506	13.1
191.05266	2.0
192.00618	4.7
193.01421	78.1
203.03682	1.3
205.05067	5.2
207.02971	1.3
211.04053	1.5
214.02759	1.6
215.03539	5.1
217.10806	6.2
217.23544	1.1
227.03464	4.2
228.04164	1.4
229.05092	2.5
232.03749	2.0
233.04556	9.3
239.03352	1.6
255.03004	14.1
256.03720	4.7
257.04599	5.7
275.05667	7.1
283.02515	26.2
300.02719	1.5
301.03528	7.8
319.04568	1.8
355.06717	18.6
401.10934	1.3
421.20871	1.6
453.10562	1.9
463.08884	36.0
481.09866	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2236
Annotation	Withaphysalin M
Peak:m/z	Relative Intensity
57.03453	2.3
59.01386	20.5
61.98843	4.2
62.32485	0.8
68.27487	0.9
71.01385	1.5
71.05029	1.4
80.77369	1.0
81.03448	1.5
83.01400	6.6
83.05029	2.3
85.02985	1.2
93.03461	1.5
95.01358	1.2
95.04997	0.9
96.96017	1.9
97.02966	6.7
97.06554	1.3
108.02178	2.3
109.02958	17.9
121.02972	6.6
122.03721	15.2
123.04535	17.3
124.01649	6.5
125.02454	2.0
135.04510	4.1
135.63599	0.9
137.02449	41.2
137.09720	11.6
138.03209	2.6
139.04034	5.1
149.02460	5.0
149.92207	0.9
150.03214	1.5
151.03986	4.6
153.12871	1.8
154.02745	1.6
159.04530	4.7
161.02545	1.4
161.06102	7.2
162.03131	1.6
164.01155	7.0
165.01933	47.8
165.05493	1.0
171.98981	1.1
173.06029	1.2
175.03984	1.8
179.03510	5.9
179.10764	11.0
179.55098	1.0
181.08559	1.1
182.32191	1.0
187.04050	2.5
188.04764	1.6
190.83427	1.1
195.87241	1.1
197.11858	28.7
202.06335	1.2
203.07147	14.9
204.04343	1.3
205.05107	12.7
244.07358	2.1
247.06093	1.6
259.09689	4.1
273.20657	5.6
309.63760	1.2
317.17593	1.6
317.94556	1.2
329.17459	1.5
331.19116	1.8
357.17062	1.9
389.09216	1.1
437.23483	9.2
481.22375	100.0
482.22647	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	479.1695
Annotation	Agastinol
Peak:m/z	Relative Intensity
55.20625	10.2
59.01384	100.0
61.98833	95.5
76.10998	11.3
92.66692	11.9
94.63161	13.8
101.02426	17.0
121.02899	14.5
134.04707	11.8
137.02463	21.8
163.70755	13.7
197.35905	13.7
286.91071	15.9
419.26279	16.3
479.17120	85.2
481.28104	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	479.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
58.00581	1.1
59.01105	1.7
59.01385	35.3
61.10906	0.7
61.98835	3.3
62.31964	0.8
67.26920	0.7
69.74210	0.8
71.01386	14.9
73.02959	4.2
83.01389	3.2
85.02940	6.6
87.00883	1.6
89.02446	7.5
92.10789	1.6
95.01382	1.2
99.00903	1.3
99.08167	1.4
101.02435	11.2
113.02463	6.9
116.92875	6.4
119.03505	1.5
126.67615	1.0
167.07216	1.5
237.18620	0.9
239.16541	9.3
255.19647	14.4
257.17642	40.2
298.70578	0.8
380.24979	0.8
401.21790	1.5
417.25092	9.1
419.22998	32.4
461.24023	3.7
479.25046	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	479.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96508	0.4
59.01384	100.0
61.79461	0.3
67.58512	0.3
97.06617	0.5
126.26171	0.4
158.20747	0.3
167.10791	1.8
187.14934	0.5
205.15962	0.4
221.15469	1.5
231.13968	0.8
249.14984	2.4
288.57724	0.4
315.82889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.86530	0.4
57.03462	1.1
58.00612	0.7
59.01390	15.3
59.01680	0.6
61.98840	1.9
64.56198	0.4
78.95937	0.4
83.05047	1.8
85.06603	1.1
85.61111	0.4
97.02919	0.5
97.06599	2.1
102.71119	0.4
104.75043	0.4
111.08186	0.6
111.26759	0.5
113.09732	0.7
121.02983	0.6
121.06570	0.6
123.08118	1.6
123.55619	0.4
125.09729	9.7
137.09741	1.8
139.11298	7.0
147.04550	0.8
149.09756	2.4
149.13350	3.7
151.11301	49.7
163.11276	0.9
165.12859	16.4
167.14424	67.6
168.14784	0.5
181.12299	0.5
193.12370	1.0
195.13931	2.9
205.16043	0.5
209.11905	5.6
211.13437	100.0
212.13779	0.7
223.17052	2.1
239.12947	2.4
267.16028	2.4
305.49661	0.5
397.11673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88779	2.2
55.01885	16.4
57.03455	14.9
58.00598	3.7
59.01387	92.5
61.69066	2.6
61.98840	16.9
63.55882	2.6
65.54692	2.5
71.01382	100.0
72.99274	2.8
73.02939	35.3
82.78027	2.9
83.01398	20.3
85.02953	63.2
87.00861	3.2
89.02444	19.0
89.51959	2.7
95.01334	9.2
99.00876	11.6
100.10029	2.6
101.02435	78.3
113.02461	38.3
119.03448	4.0
121.02958	5.5
121.72493	2.5
141.12715	3.1
143.03436	3.3
143.10757	4.3
159.03053	4.0
161.04562	44.2
171.13904	3.7
173.11691	3.0
193.05083	5.0
210.64890	2.4
257.17685	10.4
266.31833	2.6
295.09518	2.9
315.25763	3.4
317.27020	53.6
419.27258	3.2
479.32199	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50026	0.2
59.01387	1.6
61.98834	0.2
71.01372	0.3
75.00861	0.7
75.97667	0.1
77.88186	0.2
78.95890	3.0
78.96257	0.2
79.95720	2.3
89.02435	0.3
96.87187	0.1
96.95997	100.0
96.96985	3.6
110.92033	0.2
151.03995	0.2
184.13998	0.2
421.20935	0.7
461.00687	0.2
471.84711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
59.01389	3.9
63.45964	0.8
70.03840	0.9
70.49642	0.9
71.05018	12.1
78.52177	0.9
79.16919	1.0
89.02400	1.7
92.10785	5.2
93.03452	1.2
94.98042	1.4
95.05022	28.7
96.96030	4.1
97.02941	35.8
101.02451	1.0
108.02069	1.2
109.02955	60.0
115.04039	5.1
116.86749	0.9
119.05002	1.7
121.02955	4.9
137.02457	5.6
139.04019	80.5
151.00319	1.2
152.03485	1.4
153.01945	100.0
158.20937	1.0
163.03972	2.0
165.01959	32.1
183.02986	72.7
255.03004	2.1
257.04324	1.3
283.02490	2.1
301.03555	1.7
315.07278	40.5
315.10904	2.0
319.04376	1.2
344.72034	1.1
481.10001	12.0
481.18350	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	479.0834
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.06118	0.5
50.59679	0.5
51.38812	0.5
56.14008	0.5
59.01385	1.4
61.98841	3.4
71.01424	0.8
76.42406	0.6
96.96013	0.9
107.01388	2.2
119.41823	0.5
124.01666	4.5
137.02451	2.7
148.01712	0.9
151.00369	6.8
152.01128	1.3
163.00414	1.4
164.01164	2.3
164.61740	0.6
178.99829	6.2
188.93611	0.7
203.03455	0.8
204.04346	0.9
214.02747	9.7
215.03510	0.7
242.02211	8.0
243.02986	5.0
259.02545	6.9
270.01761	8.5
271.02515	48.0
282.11255	0.7
287.02023	25.5
288.02682	2.2
290.18533	0.6
299.09317	1.3
316.02283	100.0
317.03058	11.4
479.08392	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
63.02412	0.5
65.00333	0.9
71.32169	0.4
77.18913	0.4
83.01380	0.6
107.01406	2.2
109.02927	0.8
121.26867	0.4
122.99657	0.4
124.01653	3.7
125.02460	0.8
135.00908	0.4
136.01671	0.4
137.02438	2.6
142.45232	0.4
148.01700	0.5
151.00374	7.7
152.01144	2.6
163.00352	1.7
164.01180	3.0
169.01430	0.5
178.99884	6.9
185.02405	0.5
192.00734	0.5
199.04002	0.6
203.03510	0.8
214.02740	10.0
215.03467	0.5
219.02933	0.4
227.03481	1.4
231.02971	0.7
232.03952	0.5
242.02205	8.1
243.02994	4.7
248.30278	0.4
259.02472	8.7
270.01727	7.5
271.02499	47.8
287.02005	28.8
288.02689	1.9
302.01559	0.4
302.32507	0.5
316.02267	100.0
317.03030	13.7
479.08334	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	3.8
59.01387	5.5
71.01384	0.8
72.99311	33.9
74.32602	0.6
88.02805	0.8
91.05533	20.9
96.96014	1.7
103.53121	0.7
115.04009	1.0
115.05543	3.4
117.03500	8.1
131.05043	7.7
133.06583	8.3
135.04564	1.1
141.96240	0.7
145.93701	0.7
147.04483	1.0
149.06100	71.6
163.04033	17.5
177.05600	18.1
195.06551	0.7
239.05655	100.0
253.24149	0.7
339.16528	0.7
422.51028	0.9
434.85904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1564
Annotation	Paeonin B
Peak:m/z	Relative Intensity
54.82623	0.9
54.97214	0.9
55.62297	0.9
59.01372	8.5
61.98836	2.5
67.01904	1.7
71.01393	1.9
73.01172	1.0
76.03888	1.0
76.57860	1.0
78.99659	1.0
83.01402	2.4
84.74555	1.0
89.02424	2.1
95.01398	2.5
96.96014	5.7
101.02491	1.2
108.02182	46.5
109.02969	6.3
111.00891	8.3
113.02471	1.2
117.97265	1.8
121.02942	5.6
123.00900	47.0
123.04536	32.5
124.01682	28.2
125.02461	2.1
130.42542	1.1
147.00919	8.2
148.01669	5.7
151.00330	1.5
153.05554	5.2
155.06421	1.0
162.03206	7.6
163.00397	2.0
163.04018	9.8
194.02373	1.6
229.05124	1.7
244.51219	1.3
256.03891	1.4
257.04535	5.9
271.02545	1.4
271.06110	1.8
272.06940	35.5
281.14142	1.4
287.09299	100.0
288.09668	1.5
316.02643	1.4
317.10352	96.1
352.36514	1.1
425.66748	1.2
435.33948	1.4
449.14465	1.5
479.08246	4.3
479.15240	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	479.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03452	1.8
58.00581	1.1
59.01375	70.0
71.01368	25.7
71.90942	1.2
72.99317	4.7
73.02942	2.4
75.00867	1.9
75.12997	1.1
83.01383	5.7
85.02939	11.9
85.06574	73.7
87.00915	1.1
88.98808	1.2
89.02427	19.8
89.02832	1.1
95.01401	2.3
96.96011	2.7
101.02442	20.9
107.68408	1.1
113.02447	11.1
116.88545	1.0
119.03467	7.9
119.04987	1.1
127.07639	20.7
129.05533	15.5
149.06108	2.4
150.03236	1.4
153.01935	2.2
153.05615	1.2
161.04529	1.7
168.04291	5.4
172.32889	1.0
179.05708	1.3
183.06609	16.7
189.05952	1.6
189.07666	45.8
189.12825	1.2
237.15038	1.2
239.05534	6.8
242.00258	1.2
443.19238	100.0
470.31607	1.2
477.64536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1692
Annotation	Agastinol
Peak:m/z	Relative Intensity
59.01382	49.5
61.98839	13.1
71.01402	12.6
71.05039	8.1
77.74142	4.9
89.02473	11.0
91.19928	5.2
93.03484	6.1
93.10423	5.6
96.96016	83.0
101.02488	9.7
111.04550	9.5
113.06123	5.4
114.08807	5.3
115.03975	21.4
116.92887	5.9
125.02474	7.1
128.26881	5.2
128.28426	5.6
137.82358	5.7
148.90958	8.1
239.05708	6.0
280.95221	10.3
297.70969	5.8
299.11411	9.7
324.96808	5.6
365.94675	6.6
479.17126	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	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03465	0.3
59.01389	100.0
61.98828	0.3
67.82988	0.2
71.01386	6.7
72.99316	0.3
73.02943	1.3
83.01400	1.4
85.02965	3.7
88.98814	1.2
89.02451	1.9
94.13744	0.2
95.01422	0.3
99.00887	0.5
101.02453	4.1
102.98610	0.8
111.00875	0.2
113.02463	3.0
119.03495	0.4
143.03407	0.3
159.02997	0.5
161.04555	2.9
175.78886	0.2
206.02318	0.2
255.15996	0.5
263.26477	0.2
268.33069	0.3
323.11612	0.3
373.12888	0.3
417.25266	10.1
461.23886	0.9
477.22614	6.6
477.28671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	22.3
59.01385	15.9
60.99306	0.5
61.98831	1.0
71.01391	0.4
92.10772	0.8
95.05028	0.5
97.06591	13.6
97.07189	0.5
111.08164	0.5
123.04550	0.6
123.08171	0.5
125.09718	5.2
137.09741	2.4
138.98819	0.4
141.12904	0.7
153.12888	1.7
171.13960	1.6
181.15971	0.6
189.16481	3.5
191.14499	0.8
207.17561	100.0
208.17899	1.7
225.15010	9.9
225.18628	1.8
251.16551	19.3
275.13824	0.4
290.81577	0.4
311.27771	0.4
409.13373	0.4
433.33322	4.4
463.15530	0.4
477.32077	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18698	0.4
57.03435	0.5
59.01385	41.4
61.98836	0.6
71.01374	4.5
82.56048	0.4
103.53620	0.4
111.08196	1.8
121.02992	1.6
123.08154	5.0
137.09718	4.8
147.04570	4.1
151.11281	0.8
153.12862	24.0
165.12874	2.7
179.14442	2.3
181.16003	9.0
207.13914	0.5
209.11908	1.8
223.13533	0.8
223.42171	0.4
225.15005	100.0
226.15367	0.5
251.16458	0.6
283.49777	0.4
325.11041	0.6
477.15277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60171	0.2
59.01391	0.4
71.01392	1.2
73.80525	0.3
79.95749	1.4
96.96017	100.0
115.07661	0.4
125.02440	0.3
146.08214	1.2
148.05925	0.3
236.01208	0.3
275.37936	0.3
286.20975	0.3
380.15771	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	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83386	0.2
56.06969	0.2
56.42755	0.2
59.01125	0.2
59.01374	1.8
59.52767	0.2
60.01725	0.4
61.98840	100.0
62.07415	0.2
71.01397	1.1
73.02961	0.5
83.01423	0.4
85.02985	0.4
101.02459	1.3
102.02763	0.3
163.39056	0.2
213.23558	0.2
267.27789	0.3
272.11151	0.3
417.16776	0.6
418.16962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67945	0.4
55.01902	0.7
57.03442	0.4
57.13063	0.5
59.01383	100.0
60.01722	0.4
60.99320	0.7
61.98837	2.8
65.26538	0.5
68.99543	0.7
71.01373	8.6
72.81467	0.4
73.02931	3.7
83.01380	0.9
85.02938	4.3
88.18160	0.5
88.98800	3.5
89.02447	4.6
92.10883	0.5
92.98569	0.4
101.02424	6.0
113.02443	3.7
119.03489	0.9
120.96725	0.4
135.04590	0.6
151.00351	1.9
159.02966	0.8
161.04529	4.2
177.12518	0.5
235.26076	0.4
255.16049	1.0
266.91211	0.5
285.04025	0.9
291.54575	0.5
417.24969	21.7
477.27017	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	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60297	0.5
59.01387	100.0
61.98851	0.8
63.79902	0.6
64.29509	0.5
66.99047	0.5
71.01383	12.0
73.02943	3.1
83.01414	1.3
85.02945	5.1
89.02447	6.4
95.01393	0.8
97.02956	0.6
97.70276	0.6
99.00941	0.7
101.02446	9.9
113.02456	5.6
119.03469	0.9
159.03017	1.0
159.23260	0.7
161.04543	4.8
196.64894	0.7
255.15993	2.5
388.93945	0.7
417.19684	1.3
417.25067	39.2
477.23471	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	477.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60201	0.4
54.16595	0.3
54.73217	0.4
56.05408	0.4
57.03459	0.4
59.01385	100.0
60.99308	0.4
61.98834	10.5
71.01379	11.3
72.99326	1.6
73.02943	4.6
80.57323	0.4
81.03449	0.4
83.01389	0.8
83.48913	0.4
85.02938	4.6
87.74438	0.4
88.98789	4.3
89.02449	8.9
90.02757	0.7
93.03463	0.8
96.96032	0.6
97.02989	0.5
99.00861	3.0
101.02454	6.3
111.00876	0.9
113.02472	4.4
119.03465	0.9
123.04519	5.0
125.02467	0.5
130.41904	0.5
131.03519	0.6
149.04570	1.1
151.05005	0.6
161.04541	6.0
165.05634	0.9
165.85410	0.4
263.21280	0.4
271.09793	0.7
417.16629	2.4
417.25034	17.5
477.14099	2.2
477.27542	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	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38855	0.2
53.19926	0.2
55.01876	0.3
59.01382	100.0
59.15301	0.3
64.44683	0.3
71.01375	5.6
73.02950	1.8
83.01383	0.6
85.02950	3.4
88.98815	0.7
89.02440	1.8
89.48886	0.3
92.10799	0.8
99.00891	1.1
101.02427	5.0
102.98624	0.4
113.02448	1.9
134.03096	0.3
143.03481	0.3
159.02989	0.4
160.21764	0.3
161.04564	3.8
204.51555	0.3
212.76602	0.3
220.27956	0.3
278.06659	0.4
282.82880	0.3
387.76126	0.3
417.25070	9.3
461.24124	0.6
477.23523	3.7
477.27954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01385	49.4
60.01711	0.6
61.98833	5.1
71.01385	7.0
73.02943	59.4
76.57599	0.5
85.02953	2.5
87.04531	2.5
89.02434	3.9
92.10180	0.6
98.67699	0.5
99.04514	0.5
101.02456	3.3
109.02936	0.6
113.02435	3.1
119.03516	0.8
123.08160	2.3
161.04601	0.9
164.69673	0.5
175.14891	1.0
181.10941	0.5
181.12335	4.4
193.15976	2.5
194.35086	0.6
241.92366	0.6
255.16046	100.0
256.16187	1.1
332.47836	0.6
342.51666	0.6
411.40347	0.6
417.25674	5.1
441.81326	0.6
477.23499	1.2
477.30179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55125	0.5
55.01912	0.6
59.01385	74.8
71.01386	9.6
73.02972	3.2
74.03776	0.6
76.35303	0.6
76.57678	0.6
78.31199	0.5
83.01408	0.8
85.02971	4.4
86.29774	0.6
89.02470	1.5
92.10117	1.4
92.65704	0.6
95.50072	0.6
96.95995	4.2
99.00877	0.8
101.02454	4.8
113.02470	3.6
121.02948	14.5
133.05055	3.0
135.04529	0.7
161.04550	10.0
166.06355	100.0
181.08722	78.0
189.43365	0.6
235.08302	8.7
307.54684	0.6
417.17795	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64730	0.5
57.03447	0.8
57.40708	0.5
59.01379	16.7
61.98822	4.8
71.01381	0.9
72.99295	0.6
77.10445	0.6
83.01367	1.1
83.05005	0.9
89.11082	0.6
92.10159	1.2
95.05026	1.2
97.06559	0.7
109.02940	1.0
114.39249	0.7
121.02913	8.3
122.03709	30.2
124.01641	2.9
129.61568	0.6
135.04514	3.4
137.02431	5.3
147.04498	1.1
149.06047	31.0
154.02678	4.8
155.14677	0.7
161.09853	0.8
165.05548	0.7
177.09180	0.9
186.08893	0.8
209.11761	0.9
241.14359	0.8
300.13647	8.0
309.16483	0.6
315.16006	100.0
316.16171	1.5
369.59464	0.7
443.76706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41218	0.3
57.03464	0.3
58.76570	0.3
59.01388	6.7
61.98840	1.4
71.01391	0.4
71.05035	0.3
72.23840	0.3
72.99342	0.4
73.12968	0.3
73.78685	0.3
75.00876	0.5
85.02924	0.4
89.02438	0.4
119.05037	0.6
121.02956	100.0
122.03355	0.4
147.04523	6.4
153.05460	0.4
188.93871	0.4
191.03520	45.8
251.29913	0.3
284.45227	0.4
295.11917	0.4
444.98343	0.4
477.30630	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	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84117	0.3
57.03447	2.1
58.00583	0.7
59.01375	51.6
60.01700	0.5
61.98826	6.0
69.45173	0.4
70.18922	0.4
71.01368	7.2
72.02159	0.6
72.99292	0.4
73.02932	61.9
75.00874	0.4
80.02521	0.4
83.01373	0.5
85.02953	2.7
87.04507	2.2
89.02436	2.6
99.04519	0.5
101.02427	2.6
107.67691	0.4
109.02934	0.6
111.08185	0.5
113.02446	2.8
119.03455	0.6
123.08141	2.0
135.56007	0.5
136.51059	0.4
137.02437	0.8
153.01965	0.5
161.04523	1.0
175.14914	1.1
181.12317	5.7
193.15897	1.0
211.13449	0.5
227.17708	0.4
229.08730	0.5
237.14896	0.5
255.16006	100.0
269.05878	0.5
297.17062	0.7
299.02020	0.6
370.46985	0.5
417.25342	5.6
421.89752	0.4
477.30859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70105	0.9
57.70388	0.7
59.01388	9.7
67.13626	0.8
69.03461	5.6
71.01392	4.1
74.63377	0.8
74.99110	1.3
79.77118	1.0
81.03489	1.8
82.56200	0.9
83.01396	3.2
87.23462	0.9
89.02406	3.0
92.10162	1.7
95.01397	1.8
96.96006	9.6
97.02947	6.7
101.02441	2.2
107.01402	1.8
115.07623	3.7
118.98083	6.0
119.04997	1.1
123.00880	11.9
124.01657	33.6
125.02441	95.8
149.99594	51.2
151.00349	6.4
159.00850	1.1
167.03450	1.6
168.00645	87.8
169.01439	9.6
177.01904	1.0
179.05617	0.9
204.64758	1.0
218.98616	0.8
240.63788	0.8
248.93413	1.0
400.64365	1.1
459.11322	1.2
477.12521	100.0
478.12970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01370	4.9
71.01379	14.9
71.01722	0.7
72.99323	6.4
73.02976	1.4
83.01395	0.6
85.02972	3.5
87.00878	5.2
96.96008	22.7
98.95622	1.2
99.04531	0.9
101.02431	5.3
108.02187	3.2
109.02972	3.7
110.02595	0.6
110.50617	0.6
113.02461	3.1
115.00352	2.0
116.18760	0.6
118.98093	1.0
121.02960	3.2
122.03738	100.0
123.04536	11.2
125.02447	0.9
129.01930	2.5
135.04565	1.0
137.02437	1.3
137.06059	1.0
147.03006	7.0
147.04597	1.1
147.06772	1.0
152.01146	2.5
153.01985	1.0
159.02957	0.8
161.04581	7.3
165.05582	3.2
167.03479	0.9
177.05573	1.1
183.45744	0.6
184.58353	0.7
192.24361	0.6
207.99794	0.7
214.16470	0.6
241.91415	0.6
285.09836	4.0
329.08862	21.6
329.12402	1.8
359.54526	0.7
377.91074	0.7
468.56992	0.7
477.12698	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80828	0.1
57.03465	0.2
59.01105	0.3
59.01385	7.0
71.01387	1.6
71.34932	0.2
71.49313	0.2
71.70496	0.2
73.02956	0.2
74.70514	0.2
74.99104	0.8
78.95902	4.3
79.95734	1.9
85.02962	0.8
87.00875	0.3
88.98821	0.2
89.02455	1.6
96.96011	100.0
96.96904	6.2
101.02424	0.8
113.02397	0.6
116.92868	0.4
119.03475	0.2
151.26683	0.2
161.04485	0.3
167.03476	0.3
168.41296	0.2
179.05635	0.3
188.96288	0.2
194.73650	0.2
278.19147	0.2
297.09827	0.3
315.70978	0.3
323.55515	0.2
417.17270	2.1
417.25220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46694	1.6
53.82544	2.0
53.87267	1.5
59.01391	13.4
69.03446	2.8
71.01377	25.7
72.99323	9.1
73.01794	3.0
75.00864	46.5
83.01424	2.4
85.02969	3.6
87.00880	13.1
89.02420	16.9
97.02966	3.2
99.00886	2.1
101.02422	2.4
105.01932	4.8
107.01350	2.1
113.02454	2.1
115.00369	51.2
116.00713	11.7
117.00790	11.1
117.01948	2.3
123.00890	4.4
124.01630	21.1
125.02425	51.5
133.01416	84.7
134.01791	10.8
135.01871	23.1
135.02994	100.0
149.99582	33.6
151.00363	9.4
165.04018	25.6
168.00629	50.7
169.01352	3.4
175.00336	2.3
179.05574	13.8
216.80786	2.0
232.84328	2.2
389.66748	2.0
459.11444	2.9
477.12521	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38435	0.5
55.01902	1.1
57.03468	1.0
59.01385	100.0
59.35345	0.5
60.99326	1.2
61.98838	0.6
71.01378	19.8
73.02962	2.6
77.80379	0.5
81.25085	0.5
83.01391	1.4
85.02957	7.5
87.00877	0.8
88.98804	8.5
89.02443	19.8
95.01403	2.4
99.00897	2.1
101.02444	11.5
113.02455	9.4
119.03505	7.9
135.28477	0.5
143.03482	1.2
159.03116	0.7
161.04510	4.4
165.12897	0.6
174.73463	0.6
179.05650	3.2
212.06471	0.6
298.89777	0.7
415.23486	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39092	11.3
60.41860	10.9
65.51999	10.5
67.30730	11.1
67.45525	12.9
67.73740	12.7
71.05014	100.0
71.64877	12.5
95.31955	11.2
97.31207	12.5
124.96840	12.4
148.45409	14.4
172.32646	14.2
180.37636	12.9
208.66846	12.8
222.49718	14.1
226.35625	13.2
341.30765	98.9
357.57132	13.4
366.08807	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	475.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.98697	0.4
91.04073	0.4
151.90344	0.5
181.12030	0.5
202.29477	0.4
236.23232	0.5
341.30646	2.4
380.65930	0.5
438.78162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92648	0.5
59.01385	100.0
72.37682	0.6
86.94647	0.7
87.51553	0.7
92.10921	0.5
134.93307	0.6
225.51715	0.6
257.37741	0.7
265.59113	0.7
341.30695	2.4
373.73312	0.8
404.32126	0.7
491.04938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03450	0.6
57.71682	0.4
58.99619	2.7
59.01387	33.3
61.98842	1.3
71.01380	6.1
73.02953	2.4
83.01373	1.2
85.02962	3.0
87.00874	1.2
88.98792	4.5
89.02448	5.0
99.04504	0.7
100.24681	0.5
100.92149	0.5
101.02450	2.8
101.46759	0.5
102.98606	12.3
107.01395	0.7
113.02431	2.5
119.03527	0.7
125.02419	0.7
131.03549	0.8
133.97931	0.6
139.30690	0.6
145.02936	3.3
151.00378	3.9
161.04553	0.6
166.06367	0.9
171.04501	1.1
187.04034	0.9
194.67993	0.6
196.30594	0.6
199.04044	6.7
201.01909	2.3
203.03552	0.9
204.49887	0.6
215.03552	6.3
226.02820	0.6
227.03545	6.0
229.01408	0.8
239.07111	2.3
242.02258	17.9
243.03009	69.0
253.03798	7.0
255.15903	0.8
256.11038	1.2
257.04599	19.0
267.06619	9.9
270.01697	16.2
271.02539	59.3
281.08163	1.0
283.09674	0.7
284.10675	0.8
285.04086	34.1
286.04831	9.4
295.09750	2.4
299.01987	10.8
300.02841	8.4
312.10092	28.6
314.04376	62.6
315.05139	7.8
327.08578	1.1
327.12463	31.9
369.40387	0.6
381.46210	0.6
417.24930	3.3
477.10446	100.0
478.10898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	30.5
60.01714	0.4
61.98850	1.2
62.86872	0.5
63.69981	0.5
71.01385	5.4
73.02968	1.9
75.00816	0.5
81.88636	0.5
85.02966	1.9
89.02441	4.2
91.57491	0.5
93.03463	0.9
99.00922	0.5
101.02426	4.3
108.02229	0.5
109.02966	4.9
113.02447	2.2
119.03521	1.0
121.02954	17.1
122.03746	10.2
123.04567	4.0
129.14079	0.5
135.04503	2.2
136.05287	0.8
147.04506	0.6
149.06120	1.0
161.04617	2.2
161.06087	3.8
163.03969	2.2
179.05600	0.8
189.05527	0.7
190.06340	2.7
191.07155	5.5
203.07167	0.7
212.38390	0.6
253.05089	13.6
253.18040	1.0
275.13742	0.5
299.12994	2.4
313.10913	3.1
327.12283	0.8
328.09238	0.8
328.13196	42.1
343.15546	100.0
344.15991	2.2
390.31818	0.5
398.25308	0.5
415.23425	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28440	0.3
57.03445	0.4
59.01381	100.0
61.98831	3.5
63.71964	0.3
71.01361	3.0
72.99310	0.5
73.02927	0.7
85.02953	0.8
89.02429	3.5
93.03464	0.8
101.02467	1.9
104.75488	0.4
113.02442	1.7
117.48990	0.4
119.03489	1.7
134.03665	0.5
134.48802	0.4
137.02426	1.7
151.00394	1.0
179.05685	0.4
318.44098	0.4
319.54276	0.4
415.23297	6.2
438.49426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47883	0.3
55.01891	0.5
59.01389	100.0
61.98842	2.7
70.37185	0.3
71.01390	8.5
72.99297	0.5
73.02956	2.3
75.00872	0.5
83.05045	0.6
85.02972	3.8
88.75166	0.5
88.98792	0.7
89.02449	6.8
97.02963	0.6
99.00873	0.4
101.02453	4.4
110.86098	0.4
113.02472	3.1
119.03502	2.3
160.75548	0.4
161.04553	1.7
169.43965	0.4
179.05603	0.9
183.83356	0.5
235.13400	0.7
253.14403	1.5
253.18152	0.7
415.23645	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03439	0.5
59.01377	100.0
61.98825	2.0
71.01373	8.8
72.99286	0.6
73.02946	2.7
75.00880	0.5
79.83474	0.4
83.01393	1.1
85.02932	4.0
89.02429	4.4
99.00905	0.7
101.02421	6.8
113.02453	3.9
119.03504	1.1
161.04564	2.7
170.75197	0.5
189.09338	0.5
211.41856	0.5
253.14410	0.6
262.35587	0.5
270.32016	0.5
272.92227	0.5
415.23395	27.0
501.24658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28809	2.0
55.01896	2.6
57.28726	2.2
58.23393	2.3
59.01386	100.0
61.98842	5.8
65.96310	2.3
71.01380	50.9
72.99310	30.8
73.02941	3.9
77.18600	2.4
83.01395	5.9
85.02968	13.4
87.00889	4.5
89.02439	51.7
95.01398	2.9
96.96014	14.1
99.00876	16.8
101.02429	22.6
102.58346	2.9
111.00871	6.4
112.98809	68.8
113.02457	6.0
115.00365	18.3
116.92861	3.8
119.03522	14.2
123.04547	3.7
125.02429	5.6
133.01408	19.4
135.02937	3.1
137.02483	3.2
142.99876	4.4
143.03502	2.7
149.02396	2.9
161.02477	13.0
163.04015	23.9
164.04762	16.7
173.00906	29.0
174.01816	3.5
175.03932	5.8
176.04800	5.6
178.06369	15.4
179.03506	10.8
179.05603	19.3
179.07156	23.9
190.06433	26.0
191.03542	20.2
191.07191	3.1
193.05095	5.9
194.05878	5.0
197.04547	3.4
203.03548	5.9
205.05045	4.1
205.08763	40.6
206.05881	4.3
209.46855	2.8
218.05887	3.2
219.02988	4.4
221.08112	3.7
223.54543	2.8
247.02516	6.6
255.78290	2.9
262.04819	6.1
265.07178	37.4
277.07336	19.7
295.08237	34.2
355.10358	22.9
373.03149	3.0
378.27518	3.1
383.09955	6.6
385.14999	3.7
394.54160	2.9
415.16055	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85863	0.4
54.83173	0.4
55.01876	0.5
55.66264	0.4
57.03445	0.6
58.00604	1.0
59.01385	100.0
63.55319	0.5
71.01382	32.7
71.01777	1.1
72.99319	0.6
73.02953	3.4
83.01375	1.2
85.02963	6.2
87.00878	0.7
89.02441	51.4
99.00868	1.9
101.02441	19.8
113.02451	7.9
119.03493	7.2
125.02430	0.6
125.49043	0.5
129.01923	0.5
131.03506	35.4
143.03549	0.7
149.04561	27.1
161.04509	1.2
173.04584	0.6
179.05640	7.2
191.05626	18.6
221.06656	2.8
229.83934	0.6
236.84023	0.5
251.07756	2.7
280.65869	0.5
283.11737	0.7
415.16144	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	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45715	0.5
57.03447	0.8
58.00605	1.0
59.01384	86.2
59.06605	0.5
67.55399	0.5
68.89479	0.5
69.03471	0.8
71.01382	50.4
72.99310	1.2
73.02943	22.2
80.13199	0.5
80.76485	0.5
83.01414	2.1
85.02950	5.5
88.98809	4.9
89.02438	100.0
92.10072	0.9
95.01408	1.3
96.17235	0.6
97.02933	1.3
99.00877	33.3
101.02442	28.4
113.02441	10.4
119.03492	7.0
125.02417	3.8
131.03493	11.7
133.80510	0.6
143.03452	1.0
149.04559	41.6
161.04578	3.6
175.84079	0.7
175.88414	0.6
179.05588	1.0
190.63599	0.6
191.05615	12.5
198.03311	0.6
221.06660	4.1
250.69531	0.6
251.07693	6.1
283.11963	0.9
311.09912	1.2
415.16168	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	473.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	58.1
60.52488	14.7
61.98824	23.0
67.01038	15.2
71.05029	15.9
75.44920	15.9
79.58463	14.4
83.05048	84.8
83.48845	13.2
85.06625	17.1
96.04187	15.1
97.06562	16.3
104.67765	14.3
107.05031	23.9
123.08161	83.3
137.09732	17.1
151.11320	57.9
161.09735	20.8
162.83870	16.9
167.10802	100.0
180.43179	14.4
233.41766	17.2
273.07529	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	473.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45538	0.7
55.01892	1.4
56.52952	0.7
57.03460	3.5
58.00603	1.2
59.01384	100.0
61.98831	3.7
67.57475	0.7
71.01378	24.9
72.99313	1.5
73.02951	0.9
82.39754	0.7
83.01384	1.4
85.02964	5.9
85.06578	1.0
87.00862	1.1
89.02441	22.2
95.01412	1.6
101.02448	13.6
111.08154	1.2
113.02451	8.9
115.03198	1.2
115.04011	37.5
119.03497	7.7
149.35092	0.7
177.16478	3.6
179.05582	1.1
179.10727	0.9
181.12411	1.0
181.66748	0.8
219.37323	0.7
231.21262	2.7
251.16386	1.0
275.20120	5.0
293.21262	47.2
311.12982	1.7
316.07425	0.9
421.03491	0.8
473.27621	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55720	0.8
57.03454	6.8
59.01386	100.0
61.98842	9.5
62.85740	0.9
67.24047	1.0
69.03455	4.6
71.01380	18.1
71.05029	4.3
72.99300	1.6
73.02951	1.2
81.26144	1.0
83.01369	1.3
83.05041	5.3
85.02965	6.7
89.02445	13.6
95.05006	1.7
97.06601	2.4
99.04543	2.3
101.02452	5.0
107.05010	1.4
107.68813	1.0
109.06578	2.7
111.08150	5.0
113.02450	6.3
119.03520	4.8
123.81735	1.0
125.06084	4.6
127.07680	4.3
131.03462	1.4
141.09203	1.3
147.04536	19.9
158.03728	1.1
169.08611	1.2
179.05551	1.3
179.10774	2.3
181.12363	2.4
221.15523	4.4
251.16417	4.8
253.16336	8.7
255.65073	1.2
275.19928	1.7
282.38004	1.7
293.21243	25.6
296.10388	2.1
311.12897	4.8
420.64523	1.2
472.04419	1.1
473.27832	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	473.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64618	1.4
59.01396	7.5
70.75238	1.5
71.09349	1.4
72.99099	1.8
96.46795	1.9
106.28542	1.6
118.57410	1.6
120.04847	1.6
123.17811	1.7
126.68132	1.7
136.61316	2.0
147.08095	3.4
149.09718	8.9
163.11255	3.7
163.70206	1.5
175.11275	3.6
189.12883	7.1
191.14433	100.0
203.14491	3.5
204.37343	1.9
205.12361	8.8
205.15953	8.5
206.06345	1.7
209.15494	9.6
217.15880	3.8
219.17516	3.2
221.15553	2.7
235.13405	8.2
237.18564	12.5
246.23940	1.8
345.76428	2.1
457.25449	2.8
473.27045	16.2
473.34167	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	475.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26862	1.6
52.42004	1.3
55.01885	1.4
57.03463	2.4
58.00621	1.7
59.01384	100.0
62.35582	1.3
68.99853	1.8
69.03472	7.6
71.01379	58.9
72.99299	9.1
73.02957	24.3
79.20732	1.6
81.03468	1.8
83.01394	9.3
85.02957	30.1
87.00871	4.2
89.02446	21.9
96.96005	68.4
97.02934	13.5
98.95595	32.8
98.96395	3.3
99.00837	2.5
99.04550	2.1
101.02429	33.6
103.04019	15.9
108.02177	7.9
109.02976	7.8
113.02432	3.6
119.03490	7.3
122.03731	32.4
123.04529	37.0
125.02436	26.5
127.03955	1.7
129.68236	1.7
131.03520	2.0
137.02486	6.6
137.11998	1.7
143.03531	2.3
163.06139	7.3
182.20148	1.8
247.08212	6.7
307.10516	7.2
432.84500	2.0
475.14624	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70828	0.7
59.01384	12.2
60.96113	0.8
71.01395	5.2
79.05532	1.8
83.01346	0.9
83.05040	2.0
85.02927	1.3
87.00882	8.3
89.02460	4.6
92.10077	1.7
92.15234	0.7
93.85805	0.8
95.05027	11.2
97.06596	1.8
101.02470	1.7
107.05028	1.6
109.06582	7.9
113.06106	3.6
121.06596	37.2
145.06590	3.2
149.09741	9.4
153.05597	3.9
159.11816	4.3
161.09760	5.0
172.08913	0.8
175.11264	1.3
177.12852	21.9
185.09737	1.4
187.11244	11.7
188.45569	0.9
205.12344	4.6
210.77733	0.8
221.11897	7.4
231.10300	15.1
249.11330	16.5
255.76273	0.8
269.56171	0.8
269.96600	0.8
293.10373	32.5
311.11224	0.8
332.66327	0.8
346.39597	0.9
441.92719	0.8
453.57126	0.8
473.16730	100.0
474.17212	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25580	0.3
55.01879	0.2
55.18290	0.2
57.03455	1.7
57.66029	0.3
59.01381	2.1
68.31187	0.3
69.03448	4.2
69.44743	0.3
71.01373	2.1
71.05019	5.4
72.99320	0.6
73.02943	4.2
77.23684	0.3
81.03465	1.2
83.01431	0.5
83.05025	5.8
84.98059	0.2
85.02956	5.3
87.04506	0.4
93.03453	8.7
96.96017	1.6
97.02969	0.4
97.06599	0.6
98.03745	0.4
99.00870	2.1
99.04540	1.4
102.94885	0.7
103.92035	0.5
109.02960	0.3
109.06592	6.9
111.00898	0.4
111.04509	3.7
111.08171	2.0
112.98820	0.5
114.94890	0.3
115.04013	3.5
115.45240	0.3
127.07646	20.6
128.96512	0.5
137.02412	3.2
137.06076	2.5
146.93906	0.4
153.05588	0.4
155.03511	1.6
155.95581	0.3
156.95905	0.6
162.64250	0.3
171.06659	0.3
172.95479	1.7
173.04607	11.9
173.08186	100.0
174.08516	0.5
184.95464	0.6
188.08888	0.3
214.96497	0.5
251.02394	0.4
274.98636	0.5
293.00974	0.4
353.03439	1.7
385.02396	0.3
413.05249	2.3
468.10989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56060	0.5
57.03453	1.4
57.86718	0.5
59.01377	100.0
59.86203	0.5
61.98838	0.8
62.53167	0.5
63.03559	0.4
69.03462	1.1
71.01382	3.0
71.05007	6.6
72.99310	0.7
73.02943	0.7
84.52632	0.5
85.02949	1.2
89.02443	3.2
92.10165	0.6
99.04525	3.0
101.02451	2.6
113.02464	4.1
119.03493	0.9
125.06075	5.6
125.09746	0.8
127.07671	0.6
139.11259	3.1
161.04550	0.9
207.17496	0.8
215.20331	0.6
251.16519	76.1
252.16843	1.3
293.17572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73735	0.4
53.26419	0.4
57.03481	0.6
58.38154	0.5
59.01383	100.0
59.47754	0.5
61.98847	0.7
65.41457	0.5
71.01379	3.2
71.05007	1.2
73.02911	0.6
79.03373	0.5
80.91550	0.6
85.02973	1.1
89.02446	2.5
90.68903	0.6
99.04514	3.0
101.02448	1.1
111.08163	1.2
111.43615	0.5
113.02468	2.7
119.03503	1.3
121.10173	0.9
137.09718	3.1
139.11328	0.9
189.16469	2.4
247.47377	0.6
251.16541	68.7
293.17688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90119	6.8
51.32630	8.0
55.01897	8.4
55.42189	8.8
58.35356	7.6
59.01386	21.0
61.98862	12.2
83.05022	100.0
83.24025	8.2
91.53378	9.4
92.10109	16.1
94.33974	9.4
98.68943	9.8
121.06574	15.0
123.08158	14.7
138.16069	9.3
173.70303	9.6
195.77591	9.4
237.45976	9.4
270.66003	10.4
437.28818	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83043	0.2
59.01396	0.2
59.28065	0.2
74.07626	0.2
78.95913	1.1
79.95354	0.2
79.95722	1.7
83.30519	0.2
96.96011	100.0
113.09114	0.2
118.74001	0.2
136.33673	0.2
137.90260	0.2
155.04741	0.2
329.80127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12827	1.0
53.47366	0.8
54.83065	1.0
55.01889	52.0
59.01389	22.7
61.37753	0.9
61.98842	4.5
68.99844	4.2
69.03458	1.9
71.01398	2.8
71.05048	4.7
72.99303	21.9
73.02960	1.3
75.65298	1.0
81.03466	1.2
83.01398	100.0
83.05047	4.8
85.02970	6.0
95.05051	1.5
96.99339	2.8
97.02940	1.4
97.06606	9.5
107.05039	5.3
109.06615	5.6
111.04554	2.5
121.06606	2.1
123.04537	6.6
125.06084	85.3
127.00379	59.4
127.03989	1.5
127.07684	1.5
135.04556	1.7
137.06104	2.4
142.72856	1.1
147.04538	41.1
147.08215	1.7
151.07634	5.0
153.05624	2.5
161.06087	2.6
163.07671	2.8
165.05534	1.7
173.09715	5.5
177.05574	6.7
179.07230	2.3
189.09247	1.5
191.07137	7.6
195.06715	5.0
197.08237	17.0
209.08076	4.0
251.16617	2.5
263.09293	1.3
267.25583	1.1
281.10266	4.6
295.08322	15.0
325.09573	1.7
429.15659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75029	0.3
52.60982	0.2
57.03453	0.6
59.01382	17.4
61.13255	0.3
61.39799	0.3
71.01376	2.9
71.57743	0.3
72.99322	0.3
73.02944	0.7
81.90419	0.3
83.01392	0.4
84.95139	0.8
85.02950	1.3
88.98822	1.3
89.02441	2.9
99.04493	0.4
101.02445	2.1
113.02451	1.8
119.03532	0.8
119.05003	0.4
123.08138	0.4
124.31785	0.3
125.02441	0.7
137.02454	1.2
140.36519	0.3
141.09175	0.6
151.00366	1.1
156.89026	0.3
161.04550	0.5
163.04031	1.9
164.04797	100.0
165.05151	0.5
179.07141	58.7
180.07416	0.3
185.08185	2.1
187.07672	1.4
225.14990	0.4
257.08182	1.4
387.20352	0.7
413.21823	1.9
473.16748	2.5
473.22809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83593	0.9
59.01374	49.6
71.01370	18.9
72.99295	60.5
73.70961	1.2
79.23666	1.1
85.02954	2.6
89.02428	26.1
95.01415	1.4
101.02418	12.3
106.63609	1.0
113.02448	7.4
119.03477	5.5
166.68756	1.1
249.11298	2.7
293.10352	4.2
301.89926	1.2
311.11493	1.6
344.08832	1.2
473.16650	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	471.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92632	1.0
54.11236	0.9
54.78747	1.0
55.22183	0.9
57.03453	2.1
59.01387	100.0
61.98857	4.4
69.03484	4.9
71.01387	23.0
73.02964	1.0
83.01405	2.1
83.05037	2.5
85.02966	7.0
87.00908	1.1
89.02449	19.4
92.10222	1.6
95.01426	1.5
97.06591	2.0
99.04557	5.4
101.02461	9.6
113.02451	9.9
119.03532	7.9
123.04585	1.1
123.08192	1.4
137.09731	1.2
143.07144	11.9
147.11798	8.5
157.08679	1.1
166.46521	1.2
179.05624	2.2
184.88898	1.0
229.10960	1.2
229.19676	5.3
241.03500	1.1
249.14978	20.6
256.05380	1.0
267.12445	1.1
273.18661	17.8
291.19693	11.5
397.16876	1.2
407.42136	1.2
436.37067	1.2
448.26700	1.3
471.26120	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	471.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.84390	0.6
57.03460	1.1
59.01383	100.0
71.01380	31.8
71.01777	1.1
72.99295	2.5
73.02934	0.7
83.01432	0.8
85.02954	7.5
85.06588	0.7
89.02443	28.0
95.01389	2.8
101.02433	14.9
113.02459	8.5
115.04008	37.9
119.03493	11.7
121.10219	1.3
139.84975	0.6
175.14893	6.0
179.05658	2.9
229.19702	4.6
249.15114	0.9
273.18594	6.9
291.19681	54.3
292.19727	0.7
309.20474	0.8
471.26050	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83395	0.2
55.66628	0.2
59.01384	0.9
68.17487	0.2
71.01405	0.8
72.99355	0.3
73.02947	0.2
78.95916	2.5
79.65901	0.2
79.95753	1.8
84.30138	0.2
89.02435	0.3
96.96011	100.0
96.96893	3.8
101.02411	0.3
136.70331	0.2
137.02432	0.2
173.04521	0.7
225.26599	0.2
281.12241	0.4
395.32788	0.2
413.16776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48666	0.6
55.01905	0.8
55.22260	0.6
57.03459	20.2
59.01386	37.5
65.02924	0.6
67.70390	0.7
68.74220	0.7
71.01385	12.5
72.99315	1.4
73.02943	6.0
74.86683	0.7
78.95920	1.3
79.95750	1.4
85.02953	12.3
89.02430	11.4
96.96010	100.0
96.97001	3.4
99.04520	11.7
101.02445	27.0
103.04007	7.0
113.02465	3.7
113.97074	0.7
119.03536	3.1
125.02445	6.3
127.04026	1.0
131.03491	4.6
134.03755	1.6
136.71695	0.8
138.57416	0.8
138.85123	0.8
141.41983	0.8
143.03511	3.3
145.05040	3.8
161.04543	5.3
163.06139	38.0
181.07176	10.1
191.05640	1.4
237.81683	0.8
259.04019	0.8
265.07114	1.1
293.57425	0.8
309.11972	15.6
327.13025	42.6
369.14032	1.1
471.17285	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	471.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96835	0.5
55.01048	0.4
55.01897	1.0
58.00601	1.0
59.01386	8.2
65.03978	0.6
69.03468	1.1
71.01385	9.3
71.05030	1.0
73.02944	33.3
73.03352	1.1
81.03443	3.6
83.01384	1.1
83.05029	11.3
85.02960	7.4
89.02438	6.5
93.03454	74.8
96.96028	2.0
98.95578	0.7
99.00885	9.6
99.04510	12.1
101.02452	4.5
109.02956	1.0
111.04523	29.8
112.98796	5.6
113.02454	3.2
117.05592	2.0
119.03476	2.0
129.01967	4.2
135.06639	1.2
137.02458	23.2
142.99901	0.7
143.03508	6.0
155.03514	16.7
158.89299	2.2
159.89520	0.6
161.04582	0.7
173.04556	100.0
179.05608	0.6
279.10825	6.8
297.11975	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03449	2.8
59.01376	100.0
61.98832	1.7
69.03437	0.8
71.01385	7.3
71.01704	0.9
71.05011	11.8
73.02933	1.3
81.25340	0.7
83.05032	3.1
85.02955	3.8
89.02445	3.9
92.10780	1.1
95.01416	0.9
101.02436	1.4
109.06588	1.1
113.02443	2.6
119.03465	0.9
121.10226	1.3
123.04504	1.0
123.08129	1.1
133.10349	0.7
141.09183	0.9
161.04654	0.8
176.64526	0.7
177.09206	1.2
185.08148	1.6
185.11771	1.6
201.11295	2.9
205.15916	1.1
209.08119	0.9
219.13933	6.8
231.13925	10.7
249.14951	36.6
273.14877	1.7
285.15381	0.7
291.16058	1.4
327.88217	0.7
411.19901	1.4
435.90439	0.9
471.25467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05878	0.5
57.03460	0.8
59.01384	100.0
61.98835	3.3
65.73212	0.5
67.96075	0.5
69.03471	0.8
71.01386	3.9
73.02962	0.9
82.09007	0.5
83.05029	1.3
84.54974	0.7
85.02975	1.2
89.02441	1.2
95.01376	0.6
97.06580	2.1
99.04510	11.2
101.02444	1.0
109.06590	0.9
111.08167	0.8
113.02467	2.4
119.03542	1.1
119.08707	0.8
127.07628	1.0
133.63953	0.7
139.11314	0.8
141.05579	0.7
141.09261	0.7
161.04593	0.6
187.14902	0.7
201.11290	0.7
205.15881	0.7
226.42838	0.6
249.14993	45.2
273.15100	0.7
348.08023	0.6
471.25848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21886	0.3
57.03449	1.0
59.01386	100.0
67.01890	0.6
69.03452	0.6
71.01392	3.4
72.99325	0.4
73.02960	0.7
81.03469	0.8
83.01373	3.1
83.05035	4.3
85.31645	0.4
93.03471	4.0
95.05074	0.6
97.02945	0.8
97.06597	1.0
99.04527	1.0
101.02424	0.5
109.02973	0.6
111.00900	4.3
111.04540	7.3
113.02451	0.9
125.02480	0.7
125.09719	0.5
130.48932	0.5
137.02435	2.4
137.09709	2.1
147.08177	0.6
155.03528	12.3
164.51868	0.4
181.08656	0.6
183.10297	3.3
199.09793	7.5
203.14426	2.3
235.07660	0.4
247.13423	5.6
349.16437	1.1
389.51294	0.5
427.08276	0.6
463.34579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27378	0.1
54.36451	0.1
57.03455	2.8
59.01384	23.5
65.00328	0.2
69.03460	0.3
69.58759	0.2
71.01385	0.3
71.05019	21.9
73.02929	0.4
76.58169	0.2
82.95428	0.3
83.05045	0.2
85.02963	0.3
91.86356	0.2
92.10127	0.7
93.03443	0.2
95.04997	0.7
96.96002	1.8
97.06602	0.8
103.30279	0.2
107.01369	0.3
119.05036	1.2
123.08161	11.3
125.02498	0.2
137.06082	0.3
137.09729	1.0
139.11281	6.6
149.06084	0.2
151.00375	1.7
154.56195	0.2
155.10728	0.2
183.10274	100.0
184.10587	0.7
187.11337	1.1
229.12332	0.8
247.09489	0.7
247.13429	3.2
271.06131	1.7
271.08929	0.2
340.67151	0.2
398.68274	0.2
433.11316	0.4
466.69003	0.2
469.18021	0.3
470.38745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52373	0.3
54.00448	0.4
59.01397	2.3
61.98833	5.5
64.29956	0.4
70.66245	0.4
71.01389	0.5
79.95728	0.8
89.02441	0.5
96.96008	100.0
101.02417	0.6
106.71124	0.4
110.02438	0.4
166.05058	0.9
201.80042	0.4
210.04089	0.9
277.13016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35397	0.5
57.03464	1.1
57.91018	0.6
59.01385	46.8
61.98824	4.8
65.03976	3.2
67.01884	0.7
69.03495	0.6
70.99609	0.7
71.01377	8.2
72.60450	0.7
73.02937	1.2
75.00891	0.7
75.72466	0.8
78.95917	1.1
83.01389	0.8
83.05067	0.6
85.02965	3.0
85.06590	11.6
89.02429	4.9
91.01888	5.3
95.65408	0.7
96.96030	3.0
101.02439	5.4
107.01400	0.8
109.02956	51.7
111.08177	0.7
113.02452	3.8
116.02509	0.7
119.03522	1.6
121.02924	0.9
121.06556	0.6
123.04475	0.6
126.88261	0.6
135.00877	24.7
139.11345	0.9
151.00340	1.3
151.03993	3.7
153.01947	100.0
155.10809	0.8
157.08705	35.0
161.04509	1.5
163.74353	0.6
179.05643	0.7
183.10265	13.4
189.10986	0.9
201.11354	98.4
207.10175	1.1
231.14015	0.9
249.14983	4.1
266.65176	0.8
271.02475	0.7
273.07864	0.9
297.06186	25.8
301.03580	3.8
315.07272	13.1
411.20331	3.9
433.07767	1.1
471.10052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93433	1.1
50.98223	0.8
58.00611	1.5
59.01392	100.0
68.30650	1.0
69.03465	1.1
71.01389	19.2
72.99310	1.9
73.02947	23.1
80.22230	0.9
81.03401	0.9
84.95119	1.5
85.02946	8.2
86.00092	1.2
87.00884	10.9
87.04514	2.4
89.02444	13.6
96.96004	10.5
97.02906	1.8
99.00916	1.1
101.02449	24.3
103.04013	12.0
113.02475	3.9
115.04027	7.3
119.03501	6.7
125.02438	2.5
131.03499	11.7
133.01286	1.0
143.03506	12.9
143.07121	1.8
145.05127	1.5
163.06136	18.0
170.83040	1.1
205.07178	15.7
206.13937	1.1
265.09195	2.2
277.12921	1.8
391.64395	1.1
409.16867	5.0
469.19217	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
58.00582	1.7
59.01385	100.0
62.97202	0.8
71.01389	20.8
72.99292	0.9
73.02950	19.4
80.99460	0.9
84.95117	2.0
85.02956	7.8
86.00047	1.0
87.00876	9.2
87.04508	3.9
89.02440	14.6
96.96002	9.5
97.02978	1.0
101.01866	1.4
101.02451	24.6
101.06033	1.0
103.03996	9.3
105.96192	1.0
112.28437	0.9
113.02472	3.5
115.03974	6.0
119.03489	3.9
125.02431	4.1
131.03497	12.6
134.46182	1.0
143.03497	13.4
143.07040	1.2
145.05048	3.8
163.06134	15.7
199.02527	1.1
205.07211	15.1
207.98894	1.0
277.12891	1.7
310.52130	1.3
409.17102	5.9
469.19156	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77144	1.4
54.37409	1.3
55.01904	3.1
55.98653	1.2
57.03454	3.1
59.01385	100.0
61.98840	21.9
71.01382	37.1
72.99297	1.8
73.02951	15.9
83.01408	9.6
84.95159	6.0
85.02975	19.8
89.02463	9.0
95.01402	2.0
95.88065	1.5
96.96011	39.4
99.00874	6.5
101.02445	49.7
102.17132	1.5
102.93386	1.6
111.00915	1.9
113.02435	12.9
125.06072	3.0
131.03481	19.9
138.06738	2.2
139.07642	2.6
151.07660	7.0
152.08463	2.2
159.03015	1.9
159.37636	1.7
161.04555	11.0
163.07649	1.9
183.10294	11.7
204.11562	6.4
219.13875	6.9
263.13031	17.0
277.16574	72.4
301.49936	1.6
329.88330	1.9
358.49606	1.8
369.57770	1.9
409.20834	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89676	0.3
54.40795	0.3
59.01386	2.8
59.55805	0.3
61.98839	1.8
71.01400	0.5
80.11343	0.4
85.54639	0.4
94.50829	0.3
96.96010	2.0
106.21481	0.4
107.01395	0.9
108.02182	1.5
109.02911	0.7
121.02970	2.6
135.00870	0.4
148.01646	1.4
151.00378	6.0
163.00369	1.7
178.99821	2.8
181.08643	0.6
181.12366	0.4
185.06140	0.5
197.08127	0.5
202.03853	0.4
211.04002	0.5
211.78191	0.4
225.91316	0.4
226.02765	1.9
227.03635	2.7
227.07208	3.9
229.57588	0.4
243.03021	9.1
245.04716	0.6
253.05006	3.1
254.02287	3.1
255.03014	25.3
256.03625	0.5
271.02524	53.1
271.05951	4.2
272.03204	1.6
299.02090	0.6
300.02780	100.0
301.03540	16.8
433.07788	71.0
434.07950	0.7
442.25082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1178
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
53.26515	0.2
57.28439	0.2
59.01382	1.7
62.97454	0.2
63.67280	0.2
69.36636	0.2
70.61899	0.2
71.01392	0.3
72.81812	0.2
79.95737	29.9
89.02451	0.2
91.73194	0.2
95.95221	1.1
96.96008	100.0
110.97557	1.8
124.44937	0.3
125.72535	0.3
135.97095	0.3
136.99080	0.3
139.82788	0.2
141.95793	1.8
165.01860	0.6
167.00142	1.0
171.31871	0.3
187.04019	0.3
260.49069	0.3
277.90262	0.3
359.11310	0.4
387.87646	0.2
454.09467	0.3
469.11810	45.2
470.12317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18090	0.2
57.03444	0.3
59.01392	2.6
59.68382	0.2
71.01398	1.0
73.02967	0.3
74.05899	0.2
76.57527	0.2
78.95918	3.0
79.95744	1.5
82.95438	0.5
83.01412	0.2
85.02969	0.3
89.02454	0.4
92.10139	0.2
96.96015	100.0
96.96899	4.5
98.95563	0.3
101.02449	0.9
113.02470	0.4
118.06767	0.2
166.28447	0.2
179.48369	0.2
187.67801	0.2
197.30103	0.2
199.09737	0.4
247.13499	1.4
265.39786	0.2
336.26395	0.3
409.18747	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	468.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54715	9.0
59.01392	42.5
59.28583	6.7
61.98842	93.6
63.28306	6.9
63.36860	7.2
66.75315	8.3
71.01398	16.3
72.07210	9.7
89.02444	8.8
101.02439	11.4
113.98815	9.7
118.28345	8.7
138.05615	100.0
172.87932	8.1
187.29837	9.9
252.61375	10.6
432.15228	47.5
468.12936	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	468.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.6
59.01385	24.0
59.04290	0.4
61.98836	69.7
71.01400	0.6
73.02946	1.6
75.69121	0.4
87.70141	0.4
92.10166	0.9
93.32616	0.4
101.02451	0.8
108.61298	0.4
113.02496	0.4
116.92865	0.6
119.36929	0.4
139.11302	21.6
163.11311	0.6
165.09248	0.9
181.12343	12.5
183.10277	29.1
191.98627	0.4
199.13406	7.6
201.60017	0.4
225.11394	8.9
243.12393	100.0
244.12778	1.6
285.13449	2.4
405.17746	21.1
407.27515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86118	0.3
50.91697	0.3
51.38763	0.3
57.03455	0.6
58.63253	0.3
59.01104	0.6
59.01382	10.5
59.01653	0.7
60.01722	1.5
61.01816	1.5
61.98835	100.0
62.77649	0.4
65.58828	0.3
71.01377	1.7
85.63567	0.3
89.02442	1.6
91.02858	0.4
96.95999	1.4
119.03475	0.6
121.03938	0.4
132.90820	0.3
141.14772	0.4
149.09700	1.5
150.10059	1.9
151.10353	0.5
167.10754	1.6
168.11043	0.5
169.11320	0.4
172.45166	0.4
301.96692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83089	0.5
55.46240	0.4
59.01384	3.1
61.98837	100.0
70.34540	0.5
76.58098	0.5
89.02435	0.5
96.96011	8.5
186.78712	0.5
249.81737	0.5
470.49832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
59.01386	6.0
69.03461	0.6
70.87788	0.2
71.01386	0.3
71.05029	0.3
73.02950	0.5
83.05025	1.1
84.17956	0.2
85.02924	0.4
85.06622	0.3
89.64160	0.2
93.03444	0.5
95.05020	0.2
96.96025	0.3
101.41702	0.3
111.04480	0.3
121.02973	1.1
125.09713	0.4
126.78758	0.3
126.97527	0.2
127.07651	0.4
127.45734	0.2
137.09724	7.8
146.03529	0.2
151.11436	0.4
153.12878	5.7
165.09222	2.3
179.10820	4.4
183.10271	2.5
186.03169	0.3
197.11859	100.0
198.12199	0.6
213.44583	0.3
224.08612	0.2
245.11694	0.3
407.26566	0.4
467.26987	0.5
468.24606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
59.01386	6.0
69.03461	0.6
70.87788	0.2
71.01386	0.3
71.05029	0.3
73.02950	0.5
83.05025	1.1
84.17956	0.2
85.02924	0.4
85.06622	0.3
89.64160	0.2
93.03444	0.5
95.05020	0.2
96.96025	0.3
101.41702	0.3
111.04480	0.3
121.02973	1.1
125.09713	0.4
126.78758	0.3
126.97527	0.2
127.07651	0.4
127.45734	0.2
137.09724	7.8
146.03529	0.2
151.11436	0.4
153.12878	5.7
165.09222	2.3
179.10820	4.4
183.10271	2.5
186.03169	0.3
197.11859	100.0
198.12199	0.6
213.44583	0.3
224.08612	0.2
245.11694	0.3
407.26566	0.4
467.26987	0.5
468.24606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44466	2.2
53.57506	2.1
54.60139	2.0
57.11861	2.2
59.01385	100.0
84.07767	2.3
99.31397	2.8
114.32331	2.6
135.03633	3.1
154.71063	2.9
169.52025	3.3
173.45596	2.7
203.76448	3.3
207.47130	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	465.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65600	2.4
59.01386	100.0
60.54037	2.3
61.98846	2.3
64.88824	2.3
84.51571	2.4
98.78614	2.7
465.29999	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
59.40768	0.2
60.79528	0.2
65.84438	0.2
69.17826	0.2
70.54004	0.2
71.01380	0.2
73.02950	0.8
73.12376	0.2
78.90796	0.2
78.95894	2.0
79.95736	1.6
82.78128	0.2
82.86509	0.2
88.34624	0.2
92.10107	0.2
93.03476	0.2
96.96005	100.0
96.96882	3.4
98.95605	0.4
99.04492	0.2
101.02442	0.3
103.46246	0.2
117.01930	0.9
121.33018	0.2
125.02446	0.4
146.67174	0.2
161.04611	0.2
168.88931	0.3
297.08154	0.2
369.09888	1.1
404.31302	0.2
456.22058	0.2
471.18680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21764	3.7
59.01394	29.7
61.98844	18.4
63.25341	3.7
63.43781	3.9
65.74872	3.6
71.01405	22.4
89.02467	27.0
96.96008	81.3
98.95598	100.0
98.96468	9.0
107.01450	4.1
116.92871	8.0
119.05024	5.5
125.02432	33.7
127.18101	4.5
137.06105	7.9
151.00381	16.2
163.04118	4.5
174.05939	5.0
233.06790	9.3
293.08810	49.9
331.06705	23.3
340.95767	4.3
348.95950	4.5
431.15747	19.2
467.13306	40.5
467.20926	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	467.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97945	0.8
52.27957	0.8
55.01883	5.9
57.03451	4.1
58.00586	1.1
59.01382	100.0
60.57655	0.7
60.75297	0.8
67.90359	0.8
71.01378	33.8
72.99323	1.1
73.02940	15.7
73.87726	0.7
75.46684	0.8
75.52523	0.7
75.67345	0.8
78.95903	0.9
79.95729	1.0
81.03478	0.9
83.01389	15.0
85.02948	24.3
87.00878	1.6
88.90070	0.9
89.02453	8.1
95.01410	1.6
96.96003	55.6
96.96951	1.7
97.02949	1.8
99.00867	7.3
101.02439	49.5
103.82706	0.9
107.18947	0.8
111.00879	1.3
111.08163	1.2
113.02444	18.0
125.02456	1.3
129.01981	1.0
131.03503	23.7
140.01779	0.8
143.03477	2.1
153.09267	7.0
161.04591	7.6
238.39890	0.9
249.58176	0.8
275.15048	90.5
404.14093	0.9
407.19287	32.5
467.27917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	5.9
58.00603	1.2
59.01394	100.0
71.01389	19.5
72.99342	0.6
73.02953	0.9
81.37536	0.7
83.01416	1.5
85.02953	5.8
89.02446	25.6
89.03000	1.0
96.96020	1.1
101.02445	11.0
112.05381	1.0
113.02454	8.8
119.03490	10.4
126.70881	0.7
131.03517	1.0
134.07356	3.8
135.08156	1.1
136.66345	0.6
138.14030	0.7
139.07651	0.9
143.03502	1.6
149.04611	1.1
149.09727	25.3
150.03098	0.9
153.09248	7.0
161.04546	4.6
167.10777	31.2
168.11145	0.9
179.05634	6.7
207.13934	1.6
225.14909	4.7
243.16020	5.2
405.21338	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03445	1.0
58.00600	0.6
59.01377	23.9
67.67244	0.5
71.01376	13.0
72.99300	1.0
73.02939	4.2
83.01378	3.5
85.02921	5.2
87.00868	2.2
89.02421	5.6
94.98072	0.7
99.00876	0.8
101.02424	7.3
101.44279	0.5
107.04987	0.5
111.00849	0.9
113.02425	3.5
119.03471	2.1
119.05015	2.0
140.22217	0.6
151.00366	0.5
161.13377	2.1
163.03960	3.8
195.06584	2.4
205.12300	2.3
239.16458	0.7
243.16136	0.5
249.11316	1.2
255.19554	2.1
257.17526	4.0
283.19083	1.1
285.20691	9.5
303.21774	45.3
364.76181	0.6
429.21906	1.1
447.26208	1.2
465.27057	100.0
466.27203	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	3.4
56.28017	0.4
57.03475	1.7
58.00597	0.4
59.01391	75.9
60.99308	0.6
61.62053	0.4
61.98872	0.4
63.64106	0.4
65.10886	0.4
71.01388	16.6
73.02954	6.5
75.00890	0.6
81.88815	0.4
83.01390	4.1
85.02959	10.7
86.00110	0.9
87.00884	0.6
88.98814	5.1
89.02458	2.7
95.01388	0.9
99.00906	2.3
99.01935	0.4
101.02441	16.1
103.43548	0.4
111.00887	1.0
111.23026	0.4
113.02447	5.5
119.03449	0.6
121.03010	0.5
136.87096	0.4
161.04568	2.3
179.07141	0.6
204.48236	0.5
205.82254	0.5
243.19632	0.8
285.20834	0.6
303.21759	1.8
310.47766	0.4
405.25449	0.6
429.20969	0.7
447.25977	3.2
459.33823	0.5
465.27109	100.0
466.27432	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	465.1984
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
51.44020	0.3
55.01886	1.6
57.03449	7.9
57.42237	0.3
58.00607	0.6
59.01385	100.0
61.98840	0.8
71.01381	25.0
71.05005	0.5
72.99313	0.9
73.02953	1.7
78.95922	0.4
82.95409	0.6
83.01385	0.7
83.05053	2.7
85.02944	5.7
87.00884	2.1
89.02438	26.6
93.03460	0.4
95.01393	2.1
95.05060	0.4
96.96005	0.4
97.06550	0.6
99.00871	0.5
99.04512	5.7
101.02435	12.3
105.20750	0.3
107.05037	0.6
109.06626	0.7
113.02451	8.5
116.92883	0.6
119.03493	9.0
121.02947	0.5
121.06567	0.4
123.08156	9.6
124.34525	0.4
125.02467	0.6
134.07443	0.6
135.04546	0.4
142.03693	0.4
143.03520	0.7
146.03682	0.4
149.04520	0.5
149.09711	6.0
150.06892	0.4
151.03941	0.4
161.04568	2.1
161.13339	0.7
163.11298	6.0
165.09195	0.7
167.07132	10.2
167.10751	8.0
175.76465	0.4
179.05597	6.0
181.12335	0.6
205.12335	0.9
207.10287	10.4
223.13441	0.9
225.11351	7.5
225.14966	0.9
241.14453	1.7
243.12352	0.7
243.16028	2.2
249.11261	0.6
267.12332	4.1
285.13449	18.7
319.21970	0.5
341.97406	0.4
375.20001	0.5
405.21524	19.6
447.18530	0.7
465.19815	48.1
466.20059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.6
58.00594	1.4
59.01375	100.0
59.94400	0.9
61.98825	44.8
70.25305	1.1
71.01373	42.8
72.99303	2.6
73.02943	1.2
76.04964	1.0
83.01427	1.3
85.02962	6.6
88.98812	1.1
89.02429	50.1
95.01379	1.6
101.02429	17.9
112.05314	2.1
113.02438	14.8
119.03487	17.8
121.95878	1.4
125.02413	1.0
125.09650	1.2
134.07358	1.3
137.09741	1.1
143.03513	2.4
148.13057	1.2
149.09721	30.9
161.04544	2.2
167.03435	1.2
167.10754	44.2
179.05568	10.0
207.13896	1.3
225.15001	6.6
303.05295	1.5
405.21298	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97594	0.6
55.09218	0.5
57.03458	6.9
59.01384	100.0
67.08913	0.7
71.01383	20.1
72.99304	0.7
73.02979	0.9
83.01432	1.0
85.02956	4.9
89.02435	29.1
95.01400	0.8
96.96006	1.7
101.02444	10.4
112.05289	1.2
113.02457	9.1
119.03522	11.3
125.02434	12.8
134.07422	3.4
137.02411	1.3
137.09671	0.9
143.03471	1.6
149.02467	1.3
149.08617	0.9
149.09717	23.5
151.00369	3.6
153.01997	3.3
155.27800	0.7
156.92979	0.7
161.04567	3.4
167.10785	30.9
175.04056	0.8
177.01987	1.4
178.99899	1.2
179.05656	10.4
184.79358	0.7
225.14917	5.7
243.15894	1.0
275.05685	1.3
285.04010	4.1
303.05072	6.2
405.21371	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40434	0.3
57.03443	1.7
59.01377	100.0
64.28929	0.4
64.34399	0.4
65.85765	0.3
68.10886	0.3
71.01376	6.7
77.04486	0.4
77.29568	0.4
85.02972	0.6
89.02428	10.0
96.96008	1.8
101.02423	3.5
106.08102	0.4
113.02457	3.3
119.03481	3.4
125.02422	5.7
136.33665	0.4
143.03563	0.4
149.02484	0.5
151.00336	0.9
152.01051	0.5
153.01854	0.9
161.04526	0.8
177.01926	0.6
178.99808	0.5
179.05592	2.6
188.14461	0.4
233.22964	0.5
285.04004	4.2
303.05087	2.8
310.49966	0.4
325.15714	0.4
387.11743	0.4
405.21399	5.4
465.23474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20521	0.4
55.01883	0.5
57.03444	0.5
58.00609	2.7
59.01386	3.9
70.18579	0.5
71.01392	2.0
73.02949	0.9
85.02960	2.6
87.00889	5.6
96.96014	12.7
98.95638	0.8
101.02462	1.9
108.85308	0.5
121.02965	0.6
124.59854	0.5
129.01982	0.8
131.24536	0.5
136.01666	2.3
137.02438	2.2
141.47455	0.5
149.02480	0.8
151.04015	2.4
161.04559	2.9
164.01161	4.7
165.01949	37.6
174.45280	0.4
177.01958	13.7
178.02769	1.1
179.03523	76.3
180.04308	39.4
192.04355	5.2
193.05074	2.7
194.05878	29.3
195.02975	2.8
195.06657	100.0
196.06956	0.7
210.05348	2.8
225.07742	28.1
253.04572	0.5
357.11963	23.3
370.96417	0.5
384.24597	0.5
391.18015	0.5
398.55173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60010	0.2
52.97282	0.2
57.03451	1.3
57.05479	0.2
59.01383	19.4
61.98837	2.5
71.01382	4.8
73.02938	0.4
73.12166	0.2
74.28659	0.2
77.30377	0.2
78.95907	3.1
79.95735	1.9
81.03465	1.2
81.51675	0.2
83.01400	0.9
85.02925	1.6
87.00890	0.8
89.02435	4.1
95.01347	0.2
96.96006	100.0
96.96889	4.6
97.02934	0.3
98.95584	0.2
99.00842	0.3
99.04525	3.1
101.02419	2.9
107.01386	0.8
108.69676	0.2
109.02958	0.8
113.02464	1.9
115.00374	0.4
116.92871	0.3
119.03503	1.6
123.04503	0.8
125.02437	10.2
125.09723	0.8
137.02411	0.3
139.03951	0.4
143.03487	0.3
149.02403	1.4
149.31628	0.2
151.00378	2.8
152.00981	0.2
153.01952	2.8
161.04552	1.2
167.03477	0.2
175.00374	0.2
175.02498	0.7
175.03998	0.9
177.01848	1.4
178.99881	2.1
179.05553	1.4
181.01419	1.0
189.05519	0.3
191.05544	0.3
199.04141	0.7
214.76164	0.3
217.05008	0.4
232.02983	0.2
243.15854	0.3
259.08176	1.0
275.05594	2.2
284.12009	0.2
285.04080	3.8
285.12894	0.4
303.05130	5.2
341.05331	0.3
405.14050	1.4
405.21347	4.6
489.26364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67770	0.2
59.01387	5.0
64.12673	0.2
69.58978	0.2
71.01390	2.1
73.02962	0.3
78.95904	3.2
79.95734	1.9
83.01417	0.2
84.16827	0.2
85.02954	0.8
89.02428	2.4
92.10084	0.6
96.96011	100.0
96.96899	5.4
98.95553	0.2
101.02454	1.2
113.02464	1.2
113.06116	0.3
116.92892	0.4
119.03477	0.5
121.02973	0.2
136.28365	0.2
139.00378	0.4
140.49353	0.2
147.31728	0.2
152.40370	0.3
153.01962	2.0
154.02762	0.4
161.04762	0.2
168.04216	0.4
169.05034	0.5
174.05823	0.2
179.05550	0.5
182.47595	0.2
191.05553	0.4
205.66866	0.2
208.74728	0.3
222.82759	0.2
291.45541	0.2
295.05881	0.3
297.40091	0.2
405.21576	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	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38920	0.7
53.93011	0.7
57.03452	18.5
57.03715	1.0
57.66042	0.8
58.00586	1.2
59.01385	99.4
61.98841	3.3
64.77604	0.8
65.00336	3.5
71.01381	25.1
71.05030	1.3
72.99307	1.4
73.02943	1.7
79.05547	3.7
81.03457	1.0
82.95413	6.1
83.01408	10.8
83.05036	3.5
85.02957	6.7
89.02438	25.8
89.02930	1.3
93.03452	1.6
95.01397	1.7
95.04997	1.3
96.95975	3.0
97.06585	1.6
99.04518	9.2
101.02460	11.3
107.01400	9.6
109.02957	4.7
113.02445	11.5
115.07642	1.2
116.79385	0.8
116.92850	1.6
119.03500	9.6
119.24448	0.9
121.02988	3.9
123.04530	8.2
123.08150	12.7
125.02442	100.0
125.09731	10.9
133.02983	4.2
137.02492	1.6
139.04028	3.1
139.07596	1.1
141.05618	1.3
147.04475	1.6
149.02458	11.4
149.09744	4.0
150.03264	1.5
151.00380	40.9
151.04056	4.2
152.01187	3.6
153.01952	23.1
153.09227	1.2
161.04564	4.3
163.00349	9.8
163.11313	3.2
165.01964	0.9
167.07146	13.9
167.10771	5.1
171.04550	1.1
173.06111	1.0
174.03230	3.8
175.03989	14.1
176.01178	9.6
177.01933	20.7
178.99869	12.8
179.05615	5.0
181.01489	1.6
185.06024	1.1
188.04688	1.2
189.05556	4.8
193.05016	1.5
199.04051	10.0
201.01950	2.0
207.10313	6.8
213.05585	1.4
215.03658	0.9
216.04364	1.3
217.05070	10.1
223.06091	1.0
223.13448	1.5
225.14992	3.7
231.06569	1.2
241.05180	7.0
241.14465	3.3
243.02942	1.3
243.12175	0.9
257.04648	1.0
259.06067	1.6
267.12256	1.5
275.05658	5.8
284.03265	3.4
285.04095	99.4
285.13461	34.8
303.05170	48.0
303.08386	1.5
303.14584	1.0
315.07242	1.3
341.05087	1.6
375.20282	4.1
405.16412	1.1
405.21408	23.8
438.39801	1.0
447.09479	2.0
451.97845	1.0
465.10086	1.3
465.19778	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03455	6.8
59.01397	3.2
63.02412	2.3
65.00326	23.2
68.65571	0.3
71.01386	0.7
74.07159	0.3
75.34892	0.3
81.03447	0.5
82.95743	0.4
83.01388	12.8
85.02948	0.4
89.02457	0.9
95.01418	1.7
96.02152	0.6
101.02468	0.5
105.03455	0.7
105.80877	0.4
107.01393	35.0
108.02219	0.5
109.02975	2.5
113.02499	0.4
121.02972	1.6
122.03723	0.9
123.00880	0.6
123.04527	16.4
124.01656	5.1
125.02444	41.5
125.63963	0.4
133.02954	8.9
135.04523	4.5
137.02406	0.6
139.03967	0.5
143.04971	0.5
145.72650	0.4
147.04550	1.5
149.02475	3.4
150.03242	18.2
151.00386	100.0
151.04008	33.0
152.01158	14.1
152.02365	0.7
153.01965	3.4
159.04546	0.6
161.06035	0.5
161.65945	0.5
169.01549	3.2
169.02788	0.4
171.04555	1.6
173.06110	0.8
174.03224	1.7
175.04022	5.8
176.01196	1.6
177.01974	2.7
178.99913	7.8
183.04477	0.5
185.06082	2.2
187.04131	0.5
188.04842	1.5
189.05594	2.8
191.03566	0.4
193.05116	1.5
197.06117	0.5
198.03288	0.5
199.03990	5.2
201.01930	0.4
211.03984	0.7
213.05577	2.9
215.03569	1.5
216.04298	0.6
217.05096	4.7
229.05225	1.4
241.05148	3.3
257.04596	2.9
258.05341	0.5
259.06180	3.8
267.03015	0.9
275.05612	2.1
284.03372	0.4
285.04083	67.6
296.14523	0.5
302.04413	0.9
303.05087	4.4
313.09244	1.8
339.07272	2.7
437.10849	3.7
447.09445	2.4
465.10440	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05489	0.1
51.10014	0.1
56.13621	0.1
57.03459	2.9
57.74841	0.1
58.00600	0.2
58.02961	0.1
59.01386	100.0
61.98840	0.3
63.02402	0.3
64.69642	0.1
65.00334	0.7
71.01383	6.6
72.99312	0.2
73.02967	0.2
78.61960	0.1
78.91905	0.3
78.95923	0.8
79.95731	0.3
81.03465	0.6
83.01399	2.4
85.02979	1.3
86.64997	0.1
87.00876	0.7
89.02448	8.8
89.96175	0.1
90.88718	0.2
93.03488	0.2
95.01392	0.6
96.96014	21.3
96.96987	1.0
97.02938	0.2
99.04514	0.3
101.02456	3.5
107.01404	1.3
109.02955	0.9
113.02460	2.7
116.92834	0.2
119.03496	3.8
121.02950	1.0
123.04527	1.5
123.08131	0.4
124.01653	0.3
125.02444	21.8
128.03529	0.3
131.03473	0.3
133.02957	0.3
135.04460	0.2
137.02434	0.6
139.04022	0.6
143.03477	0.8
143.04648	0.7
147.04491	0.3
149.02449	2.7
149.04530	0.2
150.03264	0.6
151.00377	8.2
151.03996	0.9
152.01105	0.8
153.01955	5.2
161.02547	0.5
161.04539	1.3
161.05946	0.3
163.00383	1.4
167.10771	0.3
168.72868	0.1
169.01416	0.1
171.04462	0.3
173.06084	0.2
174.03239	0.3
175.03998	3.7
176.01140	1.4
177.01929	4.5
178.99870	3.7
179.05644	2.8
181.01433	0.3
187.03952	0.2
188.04906	0.2
189.05573	1.0
191.03584	0.3
191.05556	0.2
193.05083	0.2
197.06209	0.2
199.04057	1.7
201.01895	0.4
213.05609	0.3
217.05075	2.2
223.13565	0.2
231.06670	0.3
241.05049	1.5
241.14407	0.3
254.07831	0.2
257.04486	0.6
259.06152	1.0
272.08960	0.2
275.05627	1.6
284.03250	0.7
285.04083	18.2
285.13425	1.2
286.04315	0.2
303.05136	13.9
315.07104	0.2
330.99155	0.8
341.05161	0.7
405.21396	4.2
447.09662	0.4
465.10376	1.0
465.18967	0.8
465.23502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03459	1.1
59.01377	1.1
59.77882	0.7
63.02404	3.6
65.00317	23.7
71.01406	1.0
71.29221	0.7
83.01383	7.5
89.02457	0.9
107.01384	34.2
123.00873	1.0
123.04503	15.0
124.01606	1.5
124.21006	0.8
125.02435	12.7
133.02907	7.7
135.04510	4.6
149.02386	1.4
150.03235	12.8
151.00362	100.0
151.03979	30.7
152.01112	6.7
169.01360	1.4
175.04004	1.7
176.01009	1.1
177.02014	0.9
178.99835	7.1
185.06091	1.3
199.04001	2.1
202.56841	0.8
215.03398	1.2
229.04950	1.0
241.05173	1.3
257.04578	1.1
260.54492	0.9
285.04031	61.8
303.05057	0.9
313.09357	1.2
339.07162	4.0
465.10422	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	464.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	10.9
60.01721	1.4
61.01812	1.9
61.98841	100.0
66.74226	0.2
71.01383	0.2
74.02917	0.2
92.10812	0.3
116.78062	0.2
132.83473	0.2
156.30147	0.2
200.62410	0.2
206.15024	0.2
208.67117	0.2
280.41864	0.2
351.25510	0.3
404.26257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05489	0.1
51.10014	0.1
56.13621	0.1
57.03459	2.9
57.74841	0.1
58.00600	0.2
58.02961	0.1
59.01386	100.0
61.98840	0.3
63.02402	0.3
64.69642	0.1
65.00334	0.7
71.01383	6.6
72.99312	0.2
73.02967	0.2
78.61960	0.1
78.91905	0.3
78.95923	0.8
79.95731	0.3
81.03465	0.6
83.01399	2.4
85.02979	1.3
86.64997	0.1
87.00876	0.7
89.02448	8.8
89.96175	0.1
90.88718	0.2
93.03488	0.2
95.01392	0.6
96.96014	21.3
96.96987	1.0
97.02938	0.2
99.04514	0.3
101.02456	3.5
107.01404	1.3
109.02955	0.9
113.02460	2.7
116.92834	0.2
119.03496	3.8
121.02950	1.0
123.04527	1.5
123.08131	0.4
124.01653	0.3
125.02444	21.8
128.03529	0.3
131.03473	0.3
133.02957	0.3
135.04460	0.2
137.02434	0.6
139.04022	0.6
143.03477	0.8
143.04648	0.7
147.04491	0.3
149.02449	2.7
149.04530	0.2
150.03264	0.6
151.00377	8.2
151.03996	0.9
152.01105	0.8
153.01955	5.2
161.02547	0.5
161.04539	1.3
161.05946	0.3
163.00383	1.4
167.10771	0.3
168.72868	0.1
169.01416	0.1
171.04462	0.3
173.06084	0.2
174.03239	0.3
175.03998	3.7
176.01140	1.4
177.01929	4.5
178.99870	3.7
179.05644	2.8
181.01433	0.3
187.03952	0.2
188.04906	0.2
189.05573	1.0
191.03584	0.3
191.05556	0.2
193.05083	0.2
197.06209	0.2
199.04057	1.7
201.01895	0.4
213.05609	0.3
217.05075	2.2
223.13565	0.2
231.06670	0.3
241.05049	1.5
241.14407	0.3
254.07831	0.2
257.04486	0.6
259.06152	1.0
272.08960	0.2
275.05627	1.6
284.03250	0.7
285.04083	18.2
285.13425	1.2
286.04315	0.2
303.05136	13.9
315.07104	0.2
330.99155	0.8
341.05161	0.7
405.21396	4.2
447.09662	0.4
465.10376	1.0
465.18967	0.8
465.23502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98841	0.8
63.74474	0.3
83.28931	0.3
97.06635	0.5
167.10826	1.6
167.64830	0.4
169.12329	0.4
191.60309	0.4
207.10353	0.4
217.00357	0.6
233.15500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
67.80918	3.2
89.37863	3.8
92.64883	4.2
93.90913	3.4
101.32640	3.5
109.90566	3.5
122.03743	3.4
146.03659	4.7
291.70697	3.9
373.27109	5.6
403.28641	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	463.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60408	2.1
59.01386	100.0
66.88350	2.4
67.50357	2.1
68.99712	2.5
103.23166	2.8
118.60996	2.8
122.03782	3.2
139.19145	2.8
139.20309	3.3
143.91815	3.0
235.17101	3.2
359.37552	3.3
397.69247	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	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
61.98835	100.0
66.11710	0.1
71.01383	1.0
73.02988	0.2
74.97369	0.1
85.02943	0.1
89.02422	0.2
89.59850	0.1
94.86324	0.2
98.11879	0.2
100.26590	0.1
101.02452	0.8
112.94960	0.1
113.02469	0.2
131.24567	0.1
131.62041	0.2
167.34445	0.1
227.00882	0.2
244.97523	0.1
272.85880	0.1
279.56393	0.1
404.15497	1.6
410.40228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11713	0.8
57.03465	1.7
58.00613	0.9
59.01386	100.0
60.99308	1.2
61.98846	1.9
71.01382	25.0
72.99323	3.4
73.02962	3.5
75.00875	1.1
75.90261	0.7
79.05528	41.7
79.05968	1.6
80.91686	1.4
83.01387	1.0
85.02951	6.6
87.00877	1.6
88.98801	2.0
89.02440	26.9
95.01398	1.8
95.05045	9.8
96.96011	22.1
97.02956	1.3
97.06590	37.8
98.95567	0.9
101.02434	13.9
113.02464	8.2
116.92853	1.0
119.03504	10.7
119.15698	0.9
121.02953	1.2
125.02473	1.9
137.02414	0.9
139.04066	1.4
141.05592	39.8
161.04573	1.6
165.09183	1.8
167.07118	1.8
177.12897	1.1
179.05557	6.9
199.09738	4.1
221.11848	0.9
239.12914	5.3
241.14667	1.1
255.03143	0.9
276.84982	0.8
283.11914	26.5
286.95709	0.9
321.11823	1.3
358.47797	0.8
360.90231	0.8
373.18814	1.1
403.19772	14.5
463.08725	3.2
463.18295	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	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.2
58.00610	4.1
59.01390	100.0
60.99314	0.5
61.98846	3.3
69.03476	2.1
71.01389	18.8
71.05000	0.8
71.34735	0.6
72.99334	3.3
73.02940	4.2
74.74390	0.5
78.70580	0.5
78.95910	0.9
79.05561	2.8
79.95760	0.7
82.64890	0.5
83.05038	0.7
85.02960	3.8
85.06619	0.6
87.00878	1.0
88.98827	1.3
89.02441	22.1
92.10824	1.0
94.17687	0.7
95.01374	1.0
96.15025	0.5
96.96008	75.0
96.96987	3.1
97.06622	2.3
98.74306	0.6
100.60577	0.5
101.02447	9.4
101.03034	0.9
106.23081	0.6
109.02980	0.7
109.06583	0.7
113.02442	6.8
119.03504	9.2
123.04594	0.6
123.08190	1.4
125.02444	1.0
131.03529	0.7
137.09734	0.8
139.04044	0.9
141.05620	1.2
143.03505	2.1
155.10774	1.0
160.19958	0.5
161.04593	3.1
165.09251	3.9
179.05634	7.5
181.08687	4.0
199.09793	26.1
199.42873	0.6
241.14682	0.7
283.12021	1.2
291.32037	0.6
398.84152	0.6
403.19885	3.3
445.17593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2494
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
50.21798	0.3
59.01385	55.0
61.98838	0.9
73.23245	0.4
83.05058	0.5
92.10120	0.5
117.03465	0.4
132.02129	0.5
133.02959	27.3
134.03758	5.5
135.04527	0.8
137.02397	3.1
139.03893	0.6
150.03328	0.5
156.24600	0.4
161.02452	68.5
167.10707	0.4
178.02710	0.6
181.12436	0.4
217.00302	0.6
463.24997	100.0
464.25385	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	463.2496
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
57.71967	0.2
59.01381	11.2
63.28207	0.2
71.49282	0.2
71.55689	0.2
73.05140	0.2
77.84686	0.2
90.97320	0.2
104.63294	0.2
117.03468	25.3
118.04259	0.5
119.04986	0.4
121.02975	3.8
123.04541	0.9
126.59908	0.2
128.98203	0.2
133.02966	1.0
145.02963	100.0
146.03275	0.5
147.04533	0.9
159.32907	0.2
159.99615	0.2
162.03252	0.4
163.04008	0.9
181.32474	0.2
190.09874	0.2
191.68398	0.2
297.18881	0.2
351.41428	0.2
405.20773	3.5
445.23892	78.5
446.24387	1.4
463.24985	34.4
464.25299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49283	0.9
52.93405	0.9
57.03457	2.0
59.01382	44.0
61.98844	4.9
62.30146	0.9
69.52578	1.1
71.01400	6.1
73.02959	1.9
78.95926	1.5
83.05050	2.1
85.02967	4.2
97.02924	1.2
101.02460	4.6
113.02467	1.8
159.39674	1.1
161.09686	1.6
165.09210	100.0
188.08566	1.1
219.14023	1.1
255.03046	2.2
268.76031	1.2
271.02509	4.5
274.85544	1.0
300.02756	5.2
301.03546	1.2
301.21786	24.0
306.81067	1.1
311.22253	1.7
463.08804	1.2
463.27463	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	463.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	1.2
79.90140	0.3
83.05029	0.4
85.06574	0.3
97.06603	1.3
108.95586	0.3
109.36644	0.3
111.08135	0.3
113.09724	1.3
123.08154	0.7
125.09717	7.6
135.08084	0.3
137.09785	0.4
139.11290	5.9
141.96361	0.3
149.09715	0.5
149.13377	1.4
151.11296	42.0
152.11671	0.4
163.11356	0.5
165.12843	14.1
167.14420	63.4
168.14833	0.4
181.12395	0.4
193.12363	1.2
211.13425	100.0
212.13686	1.3
251.16539	1.2
367.00403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
59.39277	0.6
83.01415	0.9
84.00028	0.7
93.03436	0.8
101.95129	0.6
107.01389	5.2
108.02189	1.4
109.02954	3.0
121.02958	1.8
135.00912	1.4
148.01675	1.8
151.00372	15.1
153.82057	0.7
153.83542	0.7
163.00352	2.9
178.99879	3.5
186.80360	0.8
199.04065	0.9
226.02702	3.6
227.03537	5.1
243.02982	17.5
245.04483	0.8
254.02089	3.0
255.03024	37.2
271.02521	83.9
272.03214	1.8
283.02368	1.2
299.02109	1.4
300.02795	100.0
301.00098	1.3
301.03577	37.7
461.95575	0.9
463.08929	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
55.01877	0.6
57.03465	0.9
57.27575	0.5
58.08069	0.5
59.01390	22.7
61.98840	24.6
61.99161	0.9
63.02419	1.2
65.00325	1.0
65.66282	0.5
71.01392	12.5
72.99308	0.7
73.02949	4.9
83.01413	3.8
85.02940	6.1
89.02438	4.8
96.96017	6.3
99.00864	0.8
99.36746	0.7
101.02444	7.9
107.01367	4.1
107.05042	1.0
111.32148	0.6
113.02482	4.5
115.07659	2.3
119.03503	1.4
121.02972	1.3
125.02437	1.3
148.01700	1.1
149.02455	7.5
150.03203	2.9
151.00357	6.8
159.06622	0.9
161.04611	4.5
167.03517	0.8
177.01779	0.6
179.05649	1.1
187.04074	1.0
191.03494	1.4
191.05556	0.9
198.06741	0.6
200.04849	0.6
215.03500	3.0
227.03442	1.1
229.05074	0.7
239.03413	1.3
241.14433	1.0
255.02916	1.2
256.03717	0.8
265.14365	0.6
271.02570	2.9
272.03271	9.3
293.09222	0.6
293.65326	0.6
294.09320	0.6
299.02008	2.4
300.02780	100.0
301.03552	57.3
313.03488	0.8
319.68198	0.8
331.17575	4.4
343.04739	1.1
403.19836	3.2
463.08890	83.3
463.21982	16.7
464.09030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55779	0.1
57.27237	0.2
57.33232	0.2
59.01395	5.9
61.98838	0.8
62.25576	0.2
62.78832	0.2
69.03494	0.2
71.01404	0.2
83.05067	0.2
85.02960	0.2
159.81230	0.2
178.74971	0.2
184.25644	0.2
193.12358	100.0
194.12712	1.4
331.46866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.08649	0.3
88.32665	0.3
91.04005	0.4
92.10135	0.3
115.09579	0.2
119.61839	0.2
129.40752	0.2
131.53329	0.2
135.67496	0.2
160.84166	0.2
162.83913	1.4
269.25134	0.2
299.20264	0.4
322.34158	0.3
327.29144	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01709	0.2
62.04880	0.2
85.27912	0.2
91.04015	0.4
142.23428	0.2
145.88885	0.3
163.11298	0.3
180.39537	0.2
207.10301	6.0
225.26379	0.2
227.03529	0.2
323.97452	0.3
327.28909	2.1
415.79984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09517	0.2
59.01387	1.1
71.01397	1.2
79.95757	1.4
85.02988	0.5
87.00877	0.3
89.02447	0.5
92.10170	0.6
96.96014	100.0
97.02939	0.2
98.06232	0.3
98.95592	0.6
115.00362	0.3
129.01961	0.3
133.01416	0.5
133.42831	0.3
134.44711	0.3
139.32602	0.3
166.05115	0.6
182.08266	0.5
198.07690	0.3
346.11606	0.6
462.13297	1.2
469.20419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
61.01811	0.3
61.98826	100.0
64.35066	0.2
69.43689	0.2
94.32060	0.2
109.51518	0.3
111.99236	0.2
116.73106	0.2
121.82166	0.3
151.31882	0.3
163.46619	0.2
233.64702	0.3
271.02405	0.3
281.63843	0.3
402.36356	0.3
462.24527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03469	3.7
59.01386	33.5
66.16745	0.5
71.01381	31.4
72.30418	0.4
72.99284	3.8
73.02966	2.8
73.15260	0.5
73.15743	0.5
75.00896	3.7
79.05537	8.4
83.01408	2.9
83.05067	0.5
85.02957	3.8
87.00877	43.0
89.02457	7.1
93.03466	0.7
95.01377	0.9
95.05035	3.6
96.96021	5.5
97.02972	0.9
97.06583	12.5
99.00900	1.1
99.04528	2.0
101.02455	5.2
102.98616	1.1
109.02982	4.8
112.98848	0.6
113.02438	4.5
115.00375	67.7
115.04021	1.1
119.03535	2.4
121.02962	0.9
123.04561	3.9
125.02447	16.6
127.00401	0.8
133.02974	0.9
135.03000	4.3
135.04529	0.7
137.02475	3.5
141.05600	14.2
142.99867	2.0
146.03783	0.7
147.04659	0.6
148.01727	3.2
149.02477	4.2
151.00397	2.5
151.04053	2.2
161.02446	2.8
164.01180	2.6
165.02032	1.9
174.03259	0.6
175.02487	100.0
176.01189	0.8
176.02808	0.6
177.01941	7.6
178.02727	3.0
179.03490	1.0
179.05649	0.6
188.04884	0.6
193.01401	1.0
202.99911	1.4
203.07275	0.8
204.00702	4.5
205.01408	2.6
239.12936	1.2
241.14417	0.8
245.08218	0.8
253.03946	1.0
259.06149	0.8
283.06189	1.0
283.11911	7.1
287.05612	1.0
289.07220	6.3
295.66302	0.6
321.11951	0.8
327.05133	12.7
342.98676	0.6
345.06204	3.4
403.19824	8.0
409.81805	0.6
463.18439	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30751	0.3
54.37889	0.3
54.99108	0.3
58.18033	0.4
59.01391	2.8
60.99002	0.8
60.99309	18.2
68.01379	0.3
71.01379	0.5
72.99290	1.3
88.98794	100.0
89.02428	2.3
102.78213	0.3
104.98166	0.4
112.75536	0.4
117.25191	0.3
241.21988	0.3
255.02946	1.9
275.38864	0.4
283.02481	0.6
301.39868	0.4
411.30313	0.4
427.41415	0.4
434.33575	0.5
461.10925	1.6
461.24124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79494	0.8
55.01889	5.6
57.03457	1.9
57.43217	0.7
59.01384	100.0
64.35140	0.8
66.87330	0.8
71.01382	53.7
72.99303	3.8
73.02943	12.0
75.00893	3.3
77.44191	0.8
77.76074	0.9
78.70575	0.8
81.03457	4.2
81.43380	0.8
83.01379	9.4
85.02950	18.5
87.00890	1.2
89.02442	34.1
95.01369	1.7
96.96027	3.5
97.02950	1.4
99.00880	5.9
101.02444	30.3
111.00911	1.0
113.02456	19.4
119.03526	9.7
121.02927	1.2
123.04530	21.7
123.13164	0.9
125.02450	6.6
131.03505	1.1
137.02432	0.9
139.05750	1.1
143.03514	2.1
151.07664	1.6
159.02910	1.3
161.04582	13.6
165.05627	1.1
165.09247	1.2
167.02098	2.0
167.03497	42.2
179.05617	11.8
181.05049	1.0
191.03554	6.6
202.54974	0.9
209.04590	1.8
221.11832	1.0
222.65749	0.9
233.06755	1.2
260.92459	0.9
269.10345	23.1
269.54916	1.3
279.25519	0.9
329.06689	0.9
401.14413	32.6
455.20370	1.0
461.13135	10.0
461.19418	1.2
464.92047	0.9
485.29877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79494	0.8
55.01889	5.6
57.03457	1.9
57.43217	0.7
59.01384	100.0
64.35140	0.8
66.87330	0.8
71.01382	53.7
72.99303	3.8
73.02943	12.0
75.00893	3.3
77.44191	0.8
77.76074	0.9
78.70575	0.8
81.03457	4.2
81.43380	0.8
83.01379	9.4
85.02950	18.5
87.00890	1.2
89.02442	34.1
95.01369	1.7
96.96027	3.5
97.02950	1.4
99.00880	5.9
101.02444	30.3
111.00911	1.0
113.02456	19.4
119.03526	9.7
121.02927	1.2
123.04530	21.7
123.13164	0.9
125.02450	6.6
131.03505	1.1
137.02432	0.9
139.05750	1.1
143.03514	2.1
151.07664	1.6
159.02910	1.3
161.04582	13.6
165.05627	1.1
165.09247	1.2
167.02098	2.0
167.03497	42.2
179.05617	11.8
181.05049	1.0
191.03554	6.6
202.54974	0.9
209.04590	1.8
221.11832	1.0
222.65749	0.9
233.06755	1.2
260.92459	0.9
269.10345	23.1
269.54916	1.3
279.25519	0.9
329.06689	0.9
401.14413	32.6
455.20370	1.0
461.13135	10.0
461.19418	1.2
464.92047	0.9
485.29877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.234
Annotation	Mulberrofuran X
Peak:m/z	Relative Intensity
50.33928	1.1
59.01387	98.4
61.98830	1.5
111.38514	1.3
117.03467	20.8
119.05010	9.4
121.02977	1.8
138.03366	1.4
138.75684	1.4
145.02951	77.3
146.41914	1.2
155.12167	1.5
163.04021	2.9
218.64549	1.5
297.18729	13.2
315.19684	2.9
461.23398	100.0
462.23578	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	461.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.1
57.03457	0.9
58.17724	0.2
59.01385	100.0
61.98839	1.1
69.39384	0.2
71.01380	3.2
73.02962	1.1
75.00908	0.2
83.01389	0.3
85.02951	1.9
87.00887	0.2
89.02447	1.2
94.57523	0.1
95.01400	0.2
95.05009	0.2
99.04503	0.4
101.02444	2.2
108.76675	0.2
113.02453	1.4
119.03484	0.3
125.89382	0.2
161.04573	2.2
209.96402	0.2
239.16560	20.1
240.16895	0.3
245.62294	0.2
263.16513	0.3
401.25571	4.4
416.11331	0.2
461.27530	1.7
476.28622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
51.40086	0.9
52.59875	0.9
55.01893	1.9
57.03457	2.8
59.01381	79.8
63.77657	1.0
69.03447	2.6
71.01375	42.3
72.99311	2.4
73.02935	34.1
83.01378	2.7
85.02934	24.5
86.00110	2.6
87.00866	16.8
87.04495	9.0
89.02428	17.3
92.10232	1.5
93.08511	1.4
95.01379	1.4
96.95988	14.4
97.02931	2.4
99.00850	4.6
101.02428	27.0
103.03989	7.6
113.02419	12.4
115.00324	1.5
115.03973	12.8
117.97263	2.8
119.03458	5.0
123.04499	5.7
125.02425	4.8
125.06068	1.8
131.03488	12.9
131.42406	1.1
135.03479	1.5
135.04512	44.0
138.06854	16.7
139.07581	1.9
143.03493	18.5
145.05067	1.7
151.07605	11.2
152.08408	5.2
153.08029	2.4
153.09198	56.1
161.04541	9.9
163.06119	5.1
165.09180	11.6
167.07043	1.4
167.67416	1.2
179.05521	2.3
202.14861	1.3
205.07137	12.7
206.09438	4.8
221.11836	22.5
221.88611	1.3
239.12871	26.4
316.47128	1.3
401.18146	1.6
460.69870	1.2
461.16599	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	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20177	1.7
55.01896	3.4
56.67564	1.8
57.03447	2.6
59.01387	88.7
59.01690	3.1
60.25356	1.8
71.01382	40.2
71.01727	2.5
73.02941	17.2
76.33276	1.6
83.01397	7.4
85.02959	24.9
89.02456	3.9
95.01366	2.1
96.96033	11.6
99.00884	6.8
101.02447	44.1
103.78758	2.1
113.02451	17.5
116.10101	1.9
131.03481	17.5
143.03468	2.4
159.03043	3.9
161.04611	19.4
269.10358	100.0
280.90549	2.6
318.31631	1.9
401.14429	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33023	1.0
53.56239	0.9
54.82113	1.3
55.01879	2.6
57.03442	2.7
59.01376	86.2
61.98802	1.1
63.96253	1.1
71.01373	48.9
71.05006	1.2
72.99305	1.6
73.02934	29.4
75.31088	1.0
83.01388	2.0
85.02937	27.1
87.00829	8.8
87.04513	6.9
89.02419	18.8
90.55596	1.2
95.01370	6.4
95.05030	1.8
96.23219	1.2
96.95997	19.9
97.02953	5.1
99.00851	2.7
101.02424	25.7
103.04013	2.0
109.06575	1.9
113.02432	14.1
113.06006	1.7
115.00378	2.3
115.04015	2.8
117.97276	2.9
119.03487	2.9
122.03725	1.4
123.04541	1.8
123.08159	2.7
123.59150	1.1
125.02396	4.7
131.03499	5.4
135.04491	21.0
137.06065	2.2
138.06848	24.5
139.07626	7.4
143.03467	6.8
151.07643	18.8
152.04718	1.4
152.08380	8.2
153.09201	100.0
153.29025	1.1
159.02921	1.3
161.04559	13.6
163.06111	1.7
165.09192	18.9
167.07112	2.8
175.02422	2.7
179.05649	2.6
188.08424	1.5
203.10738	5.9
205.07111	5.8
206.09427	2.4
221.11819	38.4
239.12857	47.5
379.93158	1.2
401.18188	7.1
416.42209	1.5
440.06393	1.5
461.16574	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1096
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
50.14729	0.3
50.94643	0.3
54.34779	0.4
55.01867	0.4
57.03444	0.5
58.00602	0.4
58.19162	0.3
58.99598	1.8
59.01382	19.2
60.99292	2.6
71.01373	8.6
72.98894	0.4
72.99305	10.7
73.02941	4.7
77.81668	0.3
85.02946	1.9
87.00864	1.6
88.98800	17.7
89.02441	8.8
89.99120	0.5
90.99202	0.7
91.00343	1.0
92.10162	0.8
99.04513	3.6
101.02439	3.4
102.98598	7.7
103.40795	0.4
103.98973	0.8
104.98175	7.4
113.02454	2.9
119.03487	2.0
119.87546	0.4
124.77951	0.4
137.09741	0.4
143.03534	0.5
147.00851	0.5
179.05621	0.8
183.04543	0.4
219.13924	1.0
241.01567	0.6
253.03783	2.4
254.04185	1.8
255.03017	100.0
256.03592	1.8
268.03696	0.7
269.04617	5.8
270.01752	1.0
271.02499	0.8
281.17630	12.0
283.02518	52.9
284.03299	9.2
285.03986	1.9
297.04089	13.2
298.01672	0.7
298.04846	14.1
299.02231	0.8
299.05637	6.1
299.09061	0.9
313.03638	4.2
446.08615	15.9
461.10992	66.4
462.11462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68198	0.6
59.01374	10.9
63.65212	0.6
64.33166	0.8
65.64638	0.6
69.03449	1.5
71.01372	10.4
72.99302	0.8
73.02948	4.7
75.73559	0.6
81.03464	3.2
82.95492	0.8
83.01378	1.8
83.05051	0.7
85.02952	5.7
86.51116	0.7
87.00877	1.0
89.02460	3.1
93.03454	6.7
94.85187	0.7
95.01362	0.9
99.00878	1.1
99.04523	1.0
101.02433	3.7
108.02167	65.2
109.02946	46.0
111.04539	0.8
119.03495	1.0
121.02968	1.0
123.04489	1.4
125.02487	6.4
133.01451	1.0
137.02449	1.3
151.03958	1.7
152.01144	91.2
153.01947	15.7
163.04036	1.4
165.01949	1.0
165.04033	1.6
173.04562	5.7
174.68199	0.8
461.13058	100.0
462.13281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79618	0.4
54.82852	0.5
55.01871	0.8
59.01384	9.9
60.90191	0.5
66.50135	0.4
69.03464	0.9
71.01385	7.2
73.02956	3.3
81.03465	1.2
83.01382	0.9
85.02943	4.9
89.02450	0.8
92.10678	0.8
95.01370	2.2
96.95973	1.9
97.02966	1.0
101.02439	4.0
108.02180	63.3
109.02953	50.1
123.00928	1.0
125.02454	2.1
151.03989	0.7
152.01163	74.4
153.01935	19.2
153.03117	1.1
163.04005	0.9
165.01935	1.0
195.36440	0.6
205.07117	0.5
282.07489	0.6
461.13095	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	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35249	1.2
54.82712	1.5
57.03453	3.2
58.00610	1.8
59.01380	83.5
59.19371	1.2
66.08099	1.5
69.03448	11.7
71.01377	74.0
72.99294	2.9
73.02944	11.3
75.00868	2.9
80.63650	1.5
81.03447	3.0
83.01395	7.1
83.22089	1.4
85.02953	15.8
87.00880	2.2
89.02437	73.6
92.56575	1.5
95.01363	1.9
96.96008	45.6
97.02953	14.9
99.00864	17.4
99.04513	6.6
101.02449	24.1
108.02174	7.8
109.02995	2.3
111.00816	1.8
113.02467	8.2
115.04005	13.0
122.03722	21.4
122.18900	1.6
123.04515	14.2
125.02442	33.3
127.04024	2.6
131.03493	7.4
134.32729	1.4
136.06607	1.9
137.02458	2.1
143.03540	1.8
149.04567	2.7
159.06630	2.2
161.04625	2.5
167.35300	1.4
175.11465	1.4
191.05661	2.9
233.06738	17.3
233.34164	1.6
238.58559	1.6
245.59923	2.2
293.08841	21.7
403.45831	1.5
461.13058	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	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47100	0.3
55.01886	0.5
57.03447	0.6
58.00596	0.4
59.01385	100.0
59.76389	0.3
61.98847	0.4
71.01382	7.9
71.05016	4.1
73.02956	2.1
83.01363	0.4
83.05035	0.4
85.02962	2.3
89.02443	5.9
93.03448	1.6
99.04509	1.4
101.02435	4.4
111.04525	0.5
113.02449	3.9
119.03493	2.3
125.09712	0.4
137.02458	0.5
142.41226	0.4
161.04553	1.7
168.11292	0.3
173.04524	1.9
179.05563	0.6
193.15961	2.9
203.14438	0.9
237.14989	15.9
261.14935	0.5
399.19250	0.5
399.24222	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	459.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73224	0.2
57.03432	0.3
57.04787	0.2
59.01383	100.0
61.98830	1.2
67.37904	0.3
71.01376	6.1
85.02973	1.2
89.02440	6.8
90.76800	0.2
95.01395	0.3
95.05090	0.3
96.61685	0.2
98.11158	0.2
101.02439	2.1
113.02452	1.9
119.03485	2.6
121.02981	1.9
161.04543	0.3
163.11330	0.5
179.05620	1.4
207.10216	0.5
237.15027	0.3
254.18771	0.2
327.38840	0.3
332.57751	0.3
353.81271	0.3
401.08884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77749	0.3
55.01893	0.5
55.46238	0.3
55.75053	0.3
57.03462	0.3
59.01384	100.0
61.98843	0.4
71.01378	4.8
73.02941	0.9
76.58457	0.4
80.06245	0.3
82.95396	0.3
85.02946	2.9
85.44209	0.3
89.02439	2.0
99.00888	0.7
101.02438	2.4
104.24303	0.3
113.02448	2.0
118.88049	0.6
161.04526	1.9
170.91106	0.4
184.46248	0.4
186.45741	0.4
267.57590	0.4
323.09872	0.4
399.23923	6.2
415.00613	0.4
459.26492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81714	0.5
51.01167	0.4
54.05490	0.6
59.01385	100.0
61.98838	1.5
64.95972	0.5
70.81870	0.6
71.01383	6.3
73.02927	0.7
74.54523	0.5
83.01421	0.8
85.02975	2.9
89.02450	1.5
92.10757	0.7
100.43681	0.6
101.02461	2.9
113.02461	2.7
114.40540	0.6
150.83151	0.6
161.04558	3.6
165.09142	0.7
217.11072	0.7
260.63770	0.6
270.55817	0.8
280.09912	0.6
399.23965	9.4
459.26041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03448	0.3
58.06901	0.2
59.01384	100.0
63.25320	0.2
71.01378	3.8
73.02950	1.3
83.01405	0.3
85.02950	2.2
89.02444	0.9
99.00871	0.3
101.02436	2.3
111.08199	0.2
113.02451	1.3
119.03519	0.2
143.43964	0.2
161.04561	3.2
258.22263	0.2
272.97995	0.3
325.09131	0.2
399.23965	4.8
459.26105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67891	0.6
52.03249	0.5
53.97745	0.5
54.82710	0.5
55.81271	0.6
56.60249	0.6
57.03457	1.0
59.01376	100.0
61.98832	3.1
71.01369	5.6
73.02928	1.1
85.02953	2.6
88.98795	4.6
89.02453	1.6
92.10123	1.3
96.96001	3.3
101.02441	3.6
108.43595	0.6
113.02452	3.3
115.28456	0.7
121.69842	0.6
139.98453	0.8
161.04572	1.6
191.03526	1.0
279.15961	0.9
286.35703	0.7
399.23880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.291
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.51007	0.8
52.64704	0.7
52.97704	0.8
66.65258	0.8
68.25285	0.7
107.05029	28.6
114.39439	0.9
116.92886	2.0
163.11295	100.0
163.83907	0.8
180.85823	0.9
210.24007	0.9
283.17068	22.5
283.19888	1.5
295.17004	14.1
409.51843	0.9
459.29129	53.9
459.35529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
72.65647	1.1
84.68039	0.9
88.18411	1.1
102.22234	1.0
113.93474	1.0
167.10771	12.4
174.69537	1.2
308.49033	1.0
325.27533	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
68.19996	1.1
70.74236	1.0
74.99953	1.0
80.97706	1.2
90.56528	1.3
102.01645	1.5
149.01341	1.2
154.97189	1.2
167.10786	1.9
203.14455	2.9
213.87218	1.2
247.13457	10.5
325.27469	4.3
399.25421	8.8
443.75562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01811	0.8
58.99605	17.1
58.99858	1.4
59.01384	22.1
59.27278	1.1
59.50025	0.9
60.99313	21.0
63.14470	1.0
67.05650	1.0
71.01398	4.6
75.84830	1.1
85.02985	1.5
87.00883	21.2
88.98804	100.0
89.02452	6.1
96.96002	16.0
101.02444	1.3
102.98598	76.2
119.03429	1.1
120.99648	1.9
131.03505	1.1
134.74599	1.0
137.09607	1.1
187.30823	1.0
219.05261	1.6
253.03897	43.5
474.56104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.5
58.00592	0.6
59.01381	86.9
60.99313	0.6
61.24432	0.6
69.03508	0.7
71.01375	7.6
73.02950	0.7
81.07099	2.5
83.01379	0.6
85.02966	3.3
89.02444	3.9
90.29820	0.5
92.10796	1.5
96.96004	0.9
101.02423	4.8
105.07076	0.9
107.05038	1.5
109.06607	2.8
110.52174	0.6
113.02440	5.3
116.30944	0.6
117.07097	1.3
119.03493	3.5
120.99726	0.6
121.06552	1.3
123.04535	1.5
123.08147	100.0
128.73865	0.6
131.08563	0.7
133.10213	6.9
144.05789	0.6
149.08493	1.2
149.09702	27.3
155.08643	0.8
157.10187	0.7
159.06868	0.9
159.08115	7.3
160.05342	0.7
160.09006	0.7
161.04489	0.8
173.96176	0.7
175.07657	1.5
175.11261	9.2
177.09167	2.6
179.05666	0.9
186.06841	25.8
193.08658	6.3
193.12326	5.5
201.09207	13.3
204.07950	0.9
219.10265	51.1
237.11307	90.5
239.11121	18.8
243.42670	0.6
280.72379	0.7
446.02493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35411	1.2
55.01895	2.1
57.03452	27.5
58.00599	1.4
59.01384	100.0
69.03454	1.3
71.01379	40.2
72.99319	9.1
73.02940	1.9
79.05532	2.5
82.89697	1.3
83.01419	2.2
83.05029	22.8
85.02946	32.4
85.43311	1.1
87.00891	1.7
87.04536	1.2
88.98785	1.6
89.02441	39.1
92.10684	1.3
94.04258	1.7
95.01369	2.6
95.05005	18.9
96.96017	14.4
97.06582	8.9
99.04536	2.0
101.02433	16.5
103.00375	2.2
107.05042	3.0
109.06573	1.5
111.04531	3.3
111.08138	1.6
113.02457	15.8
115.28904	1.4
116.92861	15.8
119.03527	11.5
119.05012	3.2
121.06631	7.8
122.03729	6.7
130.92416	1.3
135.08179	1.6
139.04013	6.0
139.07651	8.1
143.03462	1.4
145.02971	6.6
147.08189	11.0
149.00650	10.0
149.09724	13.0
159.08125	2.3
162.06860	3.1
163.04037	1.8
165.09137	4.4
173.11522	1.6
175.11263	5.6
177.09218	36.6
179.05678	5.1
186.48526	1.4
189.12866	2.6
192.99707	3.2
193.08755	1.8
193.12323	2.1
217.12347	19.9
221.08397	1.8
235.13371	8.8
237.07660	8.6
245.53217	1.4
261.11337	8.1
270.43393	1.3
279.12433	24.2
355.24637	1.5
459.18823	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33559	0.8
58.99610	15.6
59.01385	26.3
59.01659	1.7
59.10603	0.9
60.99313	15.6
71.01382	4.2
84.00883	1.0
85.02967	1.8
87.00380	1.7
87.00875	19.2
88.98801	100.0
89.02460	6.9
96.95991	12.7
102.98597	75.3
163.90260	0.9
203.49258	1.0
208.36577	1.0
253.03899	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01811	0.8
58.99605	17.1
58.99858	1.4
59.01384	22.1
59.27278	1.1
59.50025	0.9
60.99313	21.0
63.14470	1.0
67.05650	1.0
71.01398	4.6
75.84830	1.1
85.02985	1.5
87.00883	21.2
88.98804	100.0
89.02452	6.1
96.96002	16.0
101.02444	1.3
102.98598	76.2
119.03429	1.1
120.99648	1.9
131.03505	1.1
134.74599	1.0
137.09607	1.1
187.30823	1.0
219.05261	1.6
253.03897	43.5
474.56104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	4.9
59.01385	83.8
71.01376	6.4
77.98949	0.9
85.02944	1.8
89.02463	5.0
92.10133	1.9
92.66366	1.1
94.92706	0.8
101.02442	3.3
107.05016	1.6
109.06599	1.0
113.02479	4.8
117.07166	1.2
119.03503	2.1
123.04527	1.4
123.08161	100.0
133.10246	10.8
149.08527	1.0
149.09727	31.2
150.03194	1.0
155.08702	1.1
157.10225	1.3
159.08183	9.8
175.07687	1.2
175.11255	8.1
177.09213	2.1
186.06871	27.1
193.08771	8.3
193.12344	5.9
201.07544	1.4
201.09222	13.8
204.07970	0.9
215.65919	0.9
219.10283	47.4
223.85602	1.0
237.11351	98.9
239.11121	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	459.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55821	0.5
58.99610	19.3
59.01382	11.1
60.99308	16.7
63.19071	0.6
71.01378	6.8
73.02954	0.5
82.83220	0.6
83.04999	0.5
85.02961	2.5
87.00877	11.4
88.98799	100.0
89.02439	7.7
96.96018	3.2
101.02496	0.6
102.98588	99.8
120.99639	1.4
131.03500	1.5
136.94383	0.5
137.09729	3.5
180.26077	0.7
219.05225	1.0
253.03897	58.4
288.48392	0.7
317.30157	0.6
335.26685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89679	0.5
54.81058	0.6
58.99609	23.3
59.01386	16.8
59.01661	1.1
60.99314	14.4
71.01371	7.0
72.99350	0.6
73.51728	0.6
80.20930	0.6
83.01370	0.7
84.89382	0.6
85.02962	1.3
87.00871	12.1
88.43493	0.6
88.98803	69.0
89.02436	6.1
96.75027	0.7
98.73488	0.6
101.02454	0.8
102.25656	0.6
102.98594	100.0
113.02424	1.3
131.03528	1.5
134.02963	0.7
134.71021	0.6
137.09723	3.4
161.97382	0.6
190.52119	0.9
219.05142	1.1
239.11205	3.3
253.03893	56.7
263.32635	0.7
390.60086	0.7
479.80466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72762	16.3
52.95934	13.9
53.04636	16.4
59.01377	100.0
76.29993	18.7
97.06567	22.9
107.05037	20.1
111.04516	27.1
113.06093	23.2
126.72171	19.1
130.85017	17.2
159.80237	17.9
221.30605	20.5
233.15405	24.5
272.89590	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	457.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	17.4
53.62669	18.5
57.03465	31.8
59.01391	45.1
61.98840	22.0
69.08276	20.9
69.81995	21.5
73.51534	23.8
97.06593	56.2
118.24249	23.1
160.49271	20.6
163.11325	51.9
167.10793	38.4
200.72157	20.7
205.15829	31.9
209.15439	94.4
217.15782	25.0
233.15494	100.0
300.71289	21.4
342.80969	26.0
421.29510	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90980	0.9
54.94078	0.9
55.01883	1.8
57.03451	1.1
58.00600	2.5
59.01384	100.0
59.64574	0.8
60.18208	0.9
60.23203	0.9
69.03451	9.5
71.01379	40.5
71.61568	0.9
72.99310	2.6
73.02946	22.8
77.68465	1.1
81.03468	5.4
83.01385	8.4
85.02953	19.7
87.00876	4.8
89.02439	14.8
93.98893	1.1
95.01371	1.9
96.95998	6.2
97.02917	11.4
99.92573	7.9
101.02435	24.1
103.04013	15.4
107.05029	53.6
113.02501	2.1
116.92859	97.7
117.92877	1.6
119.03510	7.9
125.02448	24.5
127.04031	1.1
143.03477	2.2
145.05115	1.4
151.04010	27.5
152.30319	1.0
161.02466	2.3
163.06131	10.4
235.19691	1.1
247.08243	8.3
252.78995	1.1
307.10379	2.5
341.08743	1.7
343.73828	1.1
451.31461	1.2
459.15195	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	98.1
69.56993	12.5
71.05023	18.7
72.24590	11.8
83.05031	17.1
97.06602	100.0
111.08233	17.5
123.08128	19.9
141.78233	13.3
161.16696	16.7
163.11299	71.8
167.10738	80.2
173.29582	14.5
178.77768	16.9
181.12378	28.9
182.02672	16.2
217.00212	20.6
240.80078	14.6
243.05191	15.3
247.37459	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	457.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	8.6
57.03470	10.1
59.01400	40.6
61.98867	9.1
77.16728	8.6
83.05042	14.0
95.05078	9.4
97.06592	100.0
119.04263	9.9
163.11314	47.9
167.10753	85.8
191.14316	9.1
192.70192	8.2
209.15413	10.0
212.98773	7.8
233.15511	36.1
383.21759	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	457.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50896	6.4
58.98060	7.3
59.01412	18.3
66.67798	7.7
68.38042	7.3
82.55065	8.4
93.65607	7.4
97.06585	100.0
140.91148	8.6
167.10843	41.1
169.12326	11.3
172.27541	8.5
191.14545	9.9
209.15433	17.5
276.11398	9.5
283.49759	8.3
428.22803	8.5
441.54092	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	457.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.5
57.03465	1.2
59.01391	100.0
71.01386	12.6
71.36548	0.2
72.99294	0.2
73.02959	3.7
83.01382	1.9
85.02956	5.9
87.00851	0.4
89.02435	5.0
94.88947	0.2
95.01401	1.2
96.96005	0.5
99.00888	1.6
101.02441	9.1
101.74159	0.2
102.98606	0.3
113.02460	5.4
119.03496	1.4
121.06552	0.3
125.02438	0.5
125.09684	0.3
143.03531	0.3
159.02986	1.4
159.28094	0.2
161.04567	11.5
179.05690	0.6
179.86374	0.3
202.82060	0.3
215.59294	0.3
235.17096	0.5
344.06570	0.3
397.22357	11.0
457.24594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
57.19320	0.3
59.01376	100.0
61.98834	0.4
63.28975	0.3
66.40186	0.3
69.03432	0.6
70.82241	0.3
71.01362	3.5
73.02924	0.6
83.01350	0.4
83.05025	0.7
85.02939	1.6
89.02412	3.9
91.12558	0.3
95.01370	0.3
101.02409	2.5
113.02448	1.4
119.03456	0.6
121.06519	0.3
125.92094	0.3
127.07612	0.4
138.06624	0.3
161.04553	1.4
169.54367	0.3
179.05547	0.6
217.12279	0.7
229.73936	0.4
235.13390	3.5
250.95631	0.4
255.10823	0.4
257.08231	0.5
300.10989	0.3
397.18472	2.4
397.22882	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	457.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71468	2.6
57.03455	5.0
59.01384	100.0
61.98844	18.9
63.31369	3.1
76.57541	4.0
97.06575	4.9
102.64200	2.8
105.25299	2.9
107.88998	2.8
109.17630	3.2
120.92019	2.9
141.84192	2.8
147.04587	4.9
171.86192	3.0
207.17601	4.0
217.00372	7.5
271.45816	3.3
271.82584	3.0
374.99271	4.4
421.26108	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98834	22.5
64.85406	14.6
97.06575	17.4
98.34613	14.9
111.08160	62.6
120.35344	14.4
129.07179	17.2
158.47906	18.9
167.10791	67.6
181.12428	26.4
237.50743	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	4.3
59.01385	100.0
64.57659	2.8
97.06590	4.2
109.44289	3.2
111.08160	51.2
118.02530	3.1
124.41941	3.5
125.06074	5.8
127.21641	3.8
163.11288	4.7
181.12357	63.0
217.00394	4.0
222.96330	3.5
251.16560	11.7
275.28046	3.3
297.24429	38.2
339.25494	16.5
386.78784	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	457.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	89.4
61.98829	84.6
66.95103	46.4
68.55069	41.3
97.06612	100.0
111.08186	66.7
120.58939	44.8
142.42226	41.8
151.22867	51.7
162.83884	62.9
163.11275	82.5
167.10744	98.1
181.12286	99.6
203.08957	46.8
216.24113	51.5
219.09990	43.3
240.42633	45.3
295.15375	43.9
305.60754	44.0
380.91965	52.5
466.83041	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99207	0.6
54.82753	0.7
55.01891	1.3
57.03424	1.0
58.00585	1.6
59.01376	81.6
59.44204	0.6
71.01369	29.1
72.99297	1.7
83.01381	1.5
85.02950	8.9
88.98804	0.8
89.01858	1.3
89.02425	37.3
92.10183	1.5
95.01359	1.8
101.02417	17.5
109.02937	1.2
113.02422	11.3
119.03487	13.3
121.06577	1.8
123.08151	5.7
129.07069	1.0
151.53535	0.9
157.30869	0.9
169.10153	1.0
171.11742	5.7
173.98134	0.8
179.05615	1.6
189.12851	9.9
215.10690	1.2
233.11871	1.6
272.93866	0.7
277.10745	6.0
280.28839	0.9
312.36801	1.0
457.17151	100.0
458.17499	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	457.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
57.03456	1.4
58.00611	0.8
59.01385	70.0
61.98838	1.9
71.01381	30.4
72.99305	7.7
73.02943	11.4
75.30089	0.7
78.95901	1.6
83.01388	7.6
85.02945	13.7
87.00904	1.1
89.02444	12.3
91.28181	0.7
92.10054	1.0
95.01383	1.3
96.96009	100.0
97.02959	0.8
97.06574	0.9
98.95595	7.9
99.00895	4.6
101.02444	28.8
103.00379	1.7
112.70321	0.8
113.02462	16.2
115.00368	6.1
116.92860	0.8
119.03502	4.2
125.02428	3.9
129.01976	1.0
131.03477	3.2
133.01453	10.6
143.03500	1.3
159.02980	3.9
159.08197	0.9
161.04555	23.2
165.90617	0.8
177.09204	1.5
204.31842	0.8
265.12949	66.2
306.71472	0.9
372.12521	0.8
384.36020	0.8
397.11856	1.4
397.17160	34.0
397.33249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65416	0.3
57.03449	0.6
59.01384	100.0
61.98834	0.4
68.86323	0.3
69.03458	0.7
69.76692	0.3
70.65051	0.4
71.01388	5.0
72.72434	0.3
73.02948	0.6
85.02958	1.4
89.01985	0.3
89.02444	3.0
89.55762	0.4
93.19815	0.4
99.04552	0.5
101.02446	1.9
113.02460	1.4
119.03493	1.7
137.46538	0.4
142.54111	0.3
145.62244	0.4
161.04565	1.6
166.38872	0.4
170.35498	0.4
179.05658	0.8
217.12256	0.4
235.13432	4.2
235.96346	0.4
257.08203	0.4
397.17865	3.7
397.23166	3.2
400.17911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61840	0.7
54.28934	0.6
55.01886	3.8
57.03455	2.0
58.00610	1.4
59.01385	86.1
71.01386	33.1
72.46934	0.7
72.99318	1.8
73.20235	0.8
83.01410	1.8
85.02960	9.6
89.02448	36.9
92.10740	1.1
95.01376	1.9
99.04527	1.1
101.02451	19.4
109.02988	1.4
111.04536	1.4
112.92681	0.8
113.02471	8.8
119.03514	14.1
121.06595	1.2
123.08173	7.0
149.04581	1.1
161.04607	0.9
171.11792	4.8
179.05634	1.7
189.12862	8.7
202.07472	0.8
233.11839	1.4
251.07661	0.9
259.19553	0.9
273.40936	0.8
277.10742	6.8
387.41504	0.8
443.12015	0.9
457.17209	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	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
58.00601	2.4
59.01385	100.0
59.98787	0.9
67.68908	0.8
71.01380	38.6
72.99309	2.1
73.02965	1.2
77.77130	0.9
83.01382	2.4
85.02949	10.5
87.00916	1.3
88.98811	2.4
89.02442	49.0
90.17148	0.8
90.53316	0.9
95.01369	1.4
96.95988	1.9
101.02451	23.0
113.02428	13.0
119.03504	15.7
119.04988	0.9
121.06612	4.1
123.08167	14.5
125.02417	1.5
129.07115	1.3
148.05292	1.0
160.34979	0.9
171.11844	1.2
179.05586	4.9
189.12938	7.5
191.79381	1.1
261.65393	1.2
277.10864	16.8
309.65942	1.0
355.63443	1.1
413.17764	1.6
457.17233	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47916	0.5
71.00795	0.5
73.73096	0.5
85.24554	0.4
99.00906	2.6
99.92581	6.1
100.93353	9.6
104.69959	0.5
115.92078	100.0
116.92860	7.0
142.86026	0.5
172.95432	3.7
226.62445	0.5
381.32135	0.5
383.18878	0.6
457.22855	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	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30560	0.3
54.82904	0.3
57.03472	0.5
58.00604	0.5
59.01387	100.0
59.05180	0.3
60.01721	0.3
61.98838	0.8
65.54591	0.3
71.01383	9.6
73.02948	0.8
77.37560	0.3
83.01385	0.4
85.02959	2.2
89.02448	15.2
89.42776	0.3
95.01385	1.4
97.02951	0.3
101.02450	4.9
113.02460	4.6
119.03502	6.3
125.02342	0.4
143.03584	0.6
161.04550	0.7
179.05670	2.6
189.09308	0.4
397.22092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10251	0.5
55.01886	31.0
57.03455	1.4
59.01384	14.9
61.98841	1.1
68.99812	0.8
69.03445	0.6
71.01371	6.2
71.05014	5.1
72.99313	8.4
73.02945	7.8
83.01388	48.9
83.04996	0.6
85.02954	6.2
87.04519	0.6
95.05021	10.0
101.02451	1.4
109.06607	1.0
111.00899	0.6
111.04543	0.6
119.05070	0.7
121.02860	0.8
123.04572	0.8
123.08150	0.7
124.49429	0.6
127.00377	21.5
127.03989	0.9
133.06660	0.5
135.08170	0.8
137.06090	1.3
147.04536	100.0
149.09749	1.2
161.06145	1.0
163.07649	3.3
173.09764	1.2
175.07634	2.3
175.11237	0.7
178.34798	0.7
181.08713	3.4
193.05019	0.6
193.08740	0.7
217.08723	0.6
219.70737	0.6
235.09627	1.0
237.11331	1.1
247.09723	1.1
249.07736	0.7
265.10977	1.0
276.99036	0.6
279.08676	3.6
289.32092	0.6
291.08969	0.9
309.09933	1.3
427.14343	1.2
457.15057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49512	0.3
55.71576	0.4
56.98028	0.4
58.99620	2.6
59.01386	8.2
59.28761	0.3
61.98833	0.8
68.34184	0.3
69.29607	0.3
69.56229	0.3
71.01392	1.5
73.02950	0.5
81.03439	0.5
83.05060	0.4
87.00878	1.5
89.02456	0.7
93.03449	0.5
96.96018	0.8
98.99103	23.0
101.02460	0.5
102.98595	12.1
111.08189	0.7
119.08676	0.6
121.02952	0.8
121.06605	5.6
125.09748	0.6
133.91963	0.4
137.09721	16.9
139.31017	0.4
143.04971	1.4
160.08925	0.6
161.09729	7.4
169.08698	0.6
183.10327	0.5
187.07663	2.2
187.09862	0.5
203.10814	100.0
204.11160	0.5
228.39297	0.4
237.09572	57.9
253.03893	10.5
309.07675	2.0
337.07214	5.0
367.08066	0.6
382.55206	0.4
457.11374	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	455.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83062	0.6
55.01892	1.0
57.03451	0.9
57.31931	0.5
58.00616	0.7
59.01386	100.0
60.51616	0.5
64.35009	0.6
71.01382	15.8
71.01714	0.7
73.02959	3.5
74.99123	0.7
75.00920	0.8
81.34551	0.6
83.01426	1.0
85.02966	4.8
87.00912	0.9
89.02443	18.0
91.72186	0.5
96.96011	66.8
97.02929	0.6
98.95605	1.3
99.00912	3.2
101.02435	11.0
101.02972	0.6
102.80318	0.6
106.48306	0.7
113.02466	7.4
116.92899	0.6
119.03522	4.3
125.02438	4.9
131.03496	2.7
137.02483	0.8
143.03493	0.8
149.04526	4.1
159.03012	1.1
161.04530	6.3
177.01933	1.4
177.04233	0.6
179.05666	1.2
191.05597	1.3
195.05150	5.2
233.13844	0.8
263.11417	7.5
363.16611	2.6
395.15387	4.3
395.19791	11.3
455.11490	1.0
455.17740	6.5
459.17572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17930	1.1
57.03467	2.1
59.01384	100.0
61.64244	1.2
61.98838	5.1
63.02622	1.2
67.46373	1.0
70.63740	1.1
71.05035	1.5
82.83434	1.1
83.05042	2.0
92.10162	2.5
97.06609	1.9
97.99921	1.2
111.08139	1.9
125.79421	1.4
165.09229	1.9
169.08745	1.7
173.62254	1.4
179.10840	1.3
181.12390	1.9
249.14932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69940	0.3
57.03460	0.7
57.07769	0.3
59.01392	100.0
60.83097	0.3
61.98848	0.5
67.28419	0.3
70.43909	0.3
71.66935	0.3
76.01497	0.3
81.49500	0.3
83.05037	4.6
92.10101	0.7
106.72381	0.4
123.08155	0.5
123.68510	0.4
126.00195	0.4
189.55756	0.4
193.79533	0.4
221.10231	0.4
277.18146	0.6
301.05365	0.4
400.38306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09381	2.7
59.01392	20.5
59.76777	3.1
63.96239	6.3
64.53271	3.7
81.03449	4.7
91.05555	3.7
92.10809	8.5
93.03374	3.8
95.01384	5.7
97.29845	3.6
107.05042	17.0
119.05015	18.4
121.06609	4.8
123.04581	4.4
133.06606	17.5
135.04509	79.9
137.06117	25.5
147.04510	14.6
180.02606	4.0
181.03316	3.8
182.05838	4.6
196.09911	4.0
205.04944	4.3
212.01530	8.7
294.16562	16.1
326.15588	100.0
396.38156	3.9
411.32651	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.39128	0.4
54.61318	0.4
56.64314	0.4
59.01398	0.8
59.72571	0.5
114.39202	0.5
195.48492	0.5
397.61929	0.5
455.35379	100.0
456.35739	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	457.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29507	0.2
58.69217	0.2
59.01391	5.3
60.47923	0.2
61.01828	0.3
61.98855	1.3
68.96696	0.2
69.03480	0.2
71.01382	2.4
72.99339	0.4
73.02956	0.4
73.83796	0.2
85.02982	0.4
89.02444	3.1
89.91378	0.2
91.02896	0.2
92.66103	0.2
93.03474	0.5
96.96012	2.1
99.00887	0.3
101.02441	0.4
101.06091	5.1
102.06441	1.0
103.06540	0.3
113.02444	0.3
116.92883	0.2
119.05029	100.0
120.05396	0.5
125.02464	1.0
126.90398	1.5
131.03546	0.4
143.03590	0.2
144.76137	0.2
145.02994	1.3
149.04584	0.3
151.00293	0.3
163.04022	43.9
164.04346	0.3
166.88086	0.2
171.93217	0.2
183.73547	0.2
191.05775	0.6
191.07172	0.4
201.74138	0.3
205.05066	0.2
220.03708	0.4
224.73538	0.2
227.16994	0.2
233.01256	0.2
235.06152	0.9
293.08823	0.5
293.96164	0.3
295.09375	0.5
423.07339	0.2
457.13489	15.2
461.53244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.37278	0.3
58.00595	0.4
59.01384	46.9
59.48623	0.3
69.03483	1.3
71.01380	19.8
72.99310	0.7
73.02947	2.7
74.99104	1.7
75.00868	0.5
76.58904	0.4
81.03474	0.8
83.01389	2.0
85.02938	3.1
87.00888	0.4
89.02441	33.5
96.60419	0.3
96.95995	3.4
96.96963	0.7
97.02966	2.6
99.00900	1.8
99.06450	0.4
101.02435	7.9
101.06079	100.0
113.02465	4.0
115.07686	0.4
119.03508	0.6
120.99648	2.3
125.02444	11.4
129.01938	0.5
131.03505	10.2
136.99167	0.5
137.02382	0.4
143.03511	0.8
149.03477	0.6
149.04588	10.5
161.04509	0.5
191.05612	3.9
233.06590	0.7
271.10938	0.4
275.07703	0.5
293.08817	15.9
307.46582	0.4
375.40073	0.4
395.15628	5.8
455.16916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	79.7
59.01648	3.9
60.99290	2.2
69.03444	4.6
71.01369	39.9
73.02945	9.8
75.00878	2.4
78.95911	9.0
85.02953	10.7
87.00876	2.7
88.98811	12.2
89.02430	62.5
89.02932	3.0
93.03413	3.2
96.96021	4.3
96.96958	10.0
99.92560	8.8
101.02440	15.0
101.06062	100.0
113.02428	4.4
115.43609	1.9
115.92096	3.0
116.92853	78.3
120.99630	15.6
125.02436	18.1
131.03481	19.2
131.08284	2.0
136.07657	3.7
149.04562	20.2
154.75609	2.4
168.95393	2.2
178.04482	2.3
191.05605	30.5
207.94733	2.5
271.10812	3.2
293.08804	37.3
337.09250	9.2
395.15552	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	455.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45949	0.3
54.03386	0.3
56.04451	0.3
57.03476	0.4
59.01387	20.9
71.01376	2.7
73.02960	0.6
85.02965	1.4
89.02453	0.8
96.55098	0.3
96.96006	0.7
99.04530	7.5
101.02455	0.7
101.06079	7.8
113.02493	0.5
125.02451	0.6
125.06010	0.4
137.06085	7.3
139.07613	0.3
141.09259	0.5
149.09747	0.6
150.06882	5.5
151.07678	0.4
152.66411	0.3
159.02953	0.3
161.04510	1.2
163.07655	0.8
164.08447	100.0
165.09224	8.3
169.08792	0.5
171.10320	0.6
179.07133	5.9
179.11771	0.4
183.10310	0.6
184.35118	0.4
185.08165	0.6
233.15446	3.5
241.05157	0.5
242.05904	6.8
245.10216	0.4
257.08237	7.0
309.13501	0.5
395.20694	0.7
411.20395	0.6
419.13770	0.6
449.65866	0.4
455.19238	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	455.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45093	0.6
55.01657	0.6
55.01880	5.4
56.43946	0.6
57.03455	3.1
59.01383	100.0
64.34594	0.7
71.01381	25.3
73.02947	14.5
73.63618	0.7
79.18387	0.7
83.01392	7.6
85.02950	21.3
86.00094	1.0
87.00906	1.1
88.17541	0.7
89.02465	4.3
95.01418	3.3
99.00867	6.1
101.02437	44.2
101.03085	1.6
110.69263	0.9
113.02454	15.3
115.03956	0.7
131.03502	28.7
143.03542	1.3
159.02986	1.9
161.04570	9.0
169.08702	0.8
181.69315	0.8
211.13606	0.8
263.15018	94.0
268.67535	0.7
307.14090	1.0
395.19269	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	455.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.6
57.03458	3.2
58.00609	0.6
59.01386	100.0
59.04671	0.4
61.98825	0.8
63.64355	0.4
69.03454	0.5
71.01380	28.3
72.99285	0.6
73.02946	13.1
76.31567	0.4
78.79238	0.5
81.82112	0.5
83.01386	8.5
85.02953	20.9
86.00096	0.6
86.08781	0.4
87.00875	1.1
89.02455	3.3
95.01379	1.9
96.11155	0.5
97.02960	0.7
99.00891	5.0
101.02443	44.5
101.09715	0.7
113.02452	14.4
125.02472	0.6
129.01939	0.7
131.03506	25.9
143.03514	1.2
144.18539	0.6
159.02965	2.0
161.03369	0.7
161.04581	9.2
181.14192	0.5
223.46268	0.5
243.13092	0.5
263.15027	78.7
264.15277	0.7
302.18536	0.5
307.13879	0.7
395.19266	20.0
434.07892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69609	0.3
54.75482	0.3
57.03454	0.4
57.83635	0.2
58.34863	0.2
59.01105	0.6
59.01386	10.9
61.98827	0.5
62.14939	0.2
68.39056	0.2
69.03453	0.4
75.00885	0.5
83.05016	0.5
85.02944	0.4
93.16543	0.3
95.05022	0.4
97.02989	0.3
97.06577	0.5
109.41824	0.3
116.92899	0.3
121.77604	0.3
123.08142	1.1
137.09731	0.4
141.09235	0.5
167.10776	100.0
168.11105	1.1
171.64194	0.3
183.10216	0.5
202.08226	0.3
219.30144	0.3
285.17007	0.4
453.28812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69419	0.8
63.60124	0.8
93.60013	1.0
102.97140	0.9
110.14967	0.9
120.77845	0.9
120.99600	0.8
147.08191	1.2
174.06866	4.1
175.07642	100.0
198.43848	0.9
203.10825	1.3
218.13132	88.3
219.13937	17.9
235.17078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	48.4
57.03459	6.0
59.01387	100.0
61.98841	2.7
68.99830	6.7
69.03461	4.5
70.17247	0.9
71.01398	4.9
71.05031	4.6
72.99323	7.0
73.02954	4.2
73.48271	1.0
81.03468	1.9
83.01392	67.6
83.01886	2.2
83.05050	6.9
85.02946	7.8
87.04567	1.3
93.03457	1.8
95.05048	2.2
96.99311	2.3
97.02968	1.5
97.06609	5.1
99.00878	1.5
99.04523	2.6
101.02417	1.3
107.05051	2.2
109.02969	7.3
109.06598	1.8
111.04526	4.6
114.61051	1.2
115.04030	1.6
119.05052	2.2
121.02998	2.1
121.06603	5.0
123.04519	2.8
123.08181	7.2
125.02437	1.4
125.06105	10.1
125.09721	9.9
127.00370	27.4
127.04020	4.5
131.05040	2.3
135.04543	11.2
135.08133	1.7
137.06094	1.5
141.09201	2.3
147.04539	87.9
147.08134	2.3
149.06067	2.7
151.07686	1.8
151.46567	1.1
157.06573	1.9
161.06131	2.8
163.07645	4.6
167.65703	1.0
169.08719	46.9
173.06065	4.1
175.07654	1.5
177.05641	8.0
179.07030	3.8
185.08141	1.4
191.07152	2.1
197.08278	1.3
223.09833	2.3
233.08188	2.2
234.94617	1.1
263.09262	1.4
263.31461	1.1
269.17657	1.2
277.07065	2.4
300.67371	1.1
425.12454	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38264	0.8
54.01036	1.0
56.46305	0.8
58.00617	1.2
59.01389	64.2
71.01388	30.8
73.02946	14.3
83.01401	1.2
85.02971	4.7
87.00887	1.3
89.02448	74.7
89.08047	0.9
96.96014	28.1
97.02972	1.5
99.00879	31.0
101.02448	21.3
113.02473	5.6
115.07663	1.1
125.02449	1.8
131.03520	10.3
141.79596	1.1
143.07216	1.1
148.65257	1.0
149.04573	23.1
161.04576	2.2
175.48071	1.1
191.05617	10.5
251.07761	2.2
388.13132	1.1
395.15674	1.7
455.17825	100.0
456.17624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	65.2
65.14027	1.1
69.03471	1.6
71.01390	30.7
73.02965	5.2
75.98586	1.3
85.02959	5.7
87.00885	1.4
88.98827	15.3
89.02451	49.0
92.10720	1.3
96.96045	1.7
96.96983	2.9
97.03004	1.9
99.00894	1.7
101.02451	12.7
101.06084	100.0
106.97132	1.0
108.26397	1.1
113.02464	5.5
116.92863	17.7
119.03472	1.6
120.99632	2.5
124.52190	1.2
125.02438	15.1
131.03519	16.7
136.07652	1.7
142.50961	1.4
149.04553	13.0
191.05594	11.1
213.61130	1.2
247.05745	1.4
278.64505	1.2
293.08823	24.5
395.15604	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	453.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35466	1.5
52.07263	1.1
57.03453	3.1
57.34118	1.3
59.01385	19.2
59.38017	1.5
74.02798	1.5
74.69770	1.4
86.80569	1.3
92.06680	1.3
92.32490	1.6
121.10242	6.3
137.09737	3.1
139.07640	2.1
139.11298	3.4
165.07776	2.2
165.08102	1.7
165.09184	75.7
183.10248	100.0
451.16965	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	453.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08497	0.3
54.26542	0.3
57.03445	4.5
59.01373	7.0
69.03445	8.3
71.01357	0.6
71.05023	0.7
73.02948	0.5
78.24126	0.4
83.01373	0.4
83.05042	0.6
84.66717	0.3
85.02934	0.4
85.06605	0.8
109.06615	0.5
111.08148	0.7
121.10208	0.4
123.08150	0.7
127.95410	0.4
135.08121	0.5
139.11275	35.8
141.09207	0.5
150.59113	0.4
154.62144	0.4
183.10245	100.0
184.10536	0.8
231.13963	0.6
322.22330	0.4
323.92020	0.4
393.19083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56186	0.8
59.01386	100.0
65.34290	1.1
71.60078	1.0
81.70513	1.0
86.33435	1.0
127.73624	1.0
151.94560	1.0
166.47397	1.3
167.90425	1.0
194.98950	1.0
215.22688	1.0
234.42265	1.3
262.06570	1.2
274.67410	1.1
374.70645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70322	0.3
53.86856	0.4
57.03445	14.0
57.03716	0.7
58.04887	0.3
59.01381	6.2
59.87495	0.3
60.13508	0.3
60.99297	0.4
61.98821	4.6
64.34807	0.5
69.03442	2.6
71.01370	1.5
71.05013	1.9
73.02938	0.5
81.03448	1.7
81.07087	0.4
82.95396	3.0
83.05027	0.5
85.06562	0.5
88.98788	0.5
89.02409	0.4
96.96001	0.5
97.06586	1.8
99.04504	0.8
99.08143	0.7
101.02457	0.6
109.06598	0.6
121.02932	18.8
121.05013	0.3
121.06593	0.5
121.10219	6.9
123.08128	2.1
135.08080	0.4
137.09677	0.8
139.11278	15.7
141.09239	4.0
157.12300	0.5
159.04521	0.5
163.11259	2.0
165.09189	0.9
169.12288	1.6
172.18947	0.4
179.10760	0.5
183.10242	100.0
184.10651	0.6
195.41908	0.4
251.16454	0.7
269.17569	9.6
393.24820	1.6
417.20929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00799	0.9
59.01390	1.8
65.28163	0.9
66.52086	0.9
73.01184	1.4
82.18107	0.9
82.58169	0.9
91.05527	83.1
94.87610	1.1
96.96005	1.9
97.02941	1.4
109.02969	5.8
121.02972	4.9
123.04527	4.5
125.02423	4.5
135.04529	7.1
137.02499	2.6
139.03984	1.2
151.04028	5.2
163.04013	100.0
165.01950	2.0
203.07153	1.5
205.05141	1.4
221.95757	1.1
245.08173	5.4
271.09793	1.6
289.07254	21.7
295.69641	1.1
307.00958	1.3
417.17975	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	453.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57482	4.5
57.03465	7.5
59.01392	100.0
61.98843	23.9
70.14296	4.1
71.01418	24.6
73.02961	53.1
82.95421	87.1
85.02943	7.7
85.48027	4.7
89.02478	8.0
92.10928	4.9
96.96024	8.5
101.02467	11.0
113.02480	7.2
121.02947	9.5
139.11302	6.8
141.77791	4.2
151.07700	5.2
159.04457	6.3
165.01938	8.3
183.10301	64.4
197.72449	4.6
252.28009	5.5
255.16029	97.4
393.24924	25.0
417.21362	7.9
453.19138	24.1
458.90308	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57482	4.5
57.03465	7.5
59.01392	100.0
61.98843	23.9
70.14296	4.1
71.01418	24.6
73.02961	53.1
82.95421	87.1
85.02943	7.7
85.48027	4.7
89.02478	8.0
92.10928	4.9
96.96024	8.5
101.02467	11.0
113.02480	7.2
121.02947	9.5
139.11302	6.8
141.77791	4.2
151.07700	5.2
159.04457	6.3
165.01938	8.3
183.10301	64.4
197.72449	4.6
252.28009	5.5
255.16029	97.4
393.24924	25.0
417.21362	7.9
453.19138	24.1
458.90308	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.1
57.03453	3.3
59.01388	100.0
61.98835	4.2
69.83807	0.6
70.20988	0.8
71.01382	34.5
71.01774	1.4
72.99300	1.4
73.02957	13.5
81.03471	1.0
83.01390	8.5
85.02953	16.7
86.00129	0.7
87.00869	1.6
88.98824	1.2
89.02445	13.9
95.01372	1.8
96.96017	13.1
99.00890	5.0
99.08170	0.8
101.02450	36.1
103.03992	0.9
110.16034	0.8
113.02460	14.5
119.03499	4.4
121.02931	4.2
125.02364	1.2
131.03513	26.2
133.77972	0.8
137.02481	0.7
140.68935	0.8
143.03535	1.9
145.08684	1.4
149.04520	3.0
159.03026	3.4
161.04567	8.7
165.01884	3.6
165.05533	1.4
179.05566	1.7
180.04167	0.9
185.28004	0.8
191.05690	0.9
207.00110	0.8
213.32120	0.8
261.13474	71.4
393.17789	31.2
393.28677	1.0
394.75522	0.8
399.95886	0.9
433.41931	0.9
453.19293	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	453.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34815	0.6
55.01897	0.9
57.03451	3.6
59.01384	43.6
61.98848	2.1
69.03470	0.9
71.01376	17.6
73.02941	7.7
81.03473	5.4
83.01382	12.0
83.05019	1.4
83.15837	0.7
85.02965	7.3
86.04549	0.8
87.00901	1.5
88.98832	1.2
89.02436	11.4
92.10065	1.1
93.03461	10.5
95.01380	1.7
95.05038	5.7
96.96037	2.0
97.02930	10.1
99.00870	3.5
101.02440	18.2
107.05006	1.7
108.02229	1.1
109.02956	36.5
111.00909	0.9
113.02425	7.0
116.92881	0.9
117.03463	1.4
119.03574	2.0
119.05027	37.2
121.02957	11.9
122.03726	4.7
123.04520	34.2
125.02456	18.9
131.03505	5.0
133.06589	3.9
135.04529	5.2
137.02440	17.7
138.03230	0.8
139.04056	6.1
143.03535	0.9
143.05026	1.2
145.02943	4.6
146.03752	2.0
147.04556	2.0
149.02458	11.9
150.03212	1.0
151.04016	20.2
151.80688	1.0
157.06573	1.2
159.04535	4.3
159.08147	4.2
160.05305	1.8
161.02461	1.1
161.04564	5.0
161.06075	18.3
162.03201	4.3
163.04024	6.1
163.06133	2.0
164.01158	4.3
165.02005	7.5
165.05597	1.5
167.03548	1.9
173.06148	1.6
175.03973	4.1
175.07602	4.1
177.02061	1.4
177.05540	2.0
179.03488	4.7
185.06079	1.1
187.04015	7.8
188.04778	6.2
189.01869	1.2
191.03551	1.0
199.07645	1.5
202.06416	3.7
203.07187	31.9
205.05125	21.7
205.07097	2.8
217.01482	1.3
221.08241	4.7
227.07166	4.3
229.04866	1.4
244.06696	1.0
245.08200	20.2
247.06174	4.2
247.09743	1.0
247.11937	9.2
261.13379	7.9
271.09680	3.8
289.07220	100.0
290.07547	1.9
301.06998	1.2
315.05316	1.5
315.08835	30.0
341.06592	7.3
350.18671	1.0
393.17798	21.7
405.07834	1.2
435.10852	4.9
453.12000	27.0
453.18289	2.9
453.23331	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	453.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98840	2.4
83.05030	1.2
83.49596	1.2
101.46578	1.0
104.40894	1.0
107.50532	1.2
141.09174	1.7
165.00882	1.2
167.10822	1.6
219.41602	1.1
226.17586	1.4
233.15469	1.9
258.53372	1.1
264.40302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03464	1.1
59.01383	100.0
59.55404	0.8
71.01376	23.8
72.99314	1.7
73.02941	18.4
83.01405	4.1
85.02949	6.8
87.00875	6.9
87.04536	1.2
89.02442	29.9
93.03461	0.9
101.02434	29.7
103.04009	11.1
109.02967	4.1
113.02461	8.5
115.04025	5.0
119.03500	9.8
119.05005	3.4
121.02935	0.9
123.04542	3.3
125.02452	1.6
131.03490	8.1
132.05894	0.8
137.02457	1.2
143.03490	8.6
145.05064	3.2
161.06099	1.5
163.04068	0.9
163.06142	26.7
164.96199	0.8
179.05688	4.0
193.83820	0.8
203.07123	1.8
205.05235	1.4
205.07166	13.5
221.20596	0.8
245.08217	1.2
247.11966	1.4
265.09338	7.4
289.07166	6.8
315.08746	1.5
393.17697	26.3
398.94702	0.8
453.11960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.00597	1.3
59.01392	69.9
59.01693	2.5
61.98557	0.9
61.98840	6.6
63.31139	0.9
67.09984	0.9
68.03827	1.0
71.01395	35.8
72.99313	1.9
73.02954	4.9
83.01402	4.3
85.02955	11.6
87.00869	1.1
89.02454	23.6
95.01379	1.7
96.96014	5.7
99.00878	2.6
101.02447	24.8
110.38603	1.0
111.67553	1.0
113.02422	10.3
113.09747	1.6
119.03508	6.4
120.99615	1.4
121.02917	4.6
123.04487	1.6
129.64493	1.0
131.03517	23.8
137.02383	1.4
137.09708	1.6
141.09245	1.6
143.03642	1.1
149.04652	1.1
155.10785	22.6
156.74872	1.2
159.10260	2.0
161.04538	2.6
161.19449	1.0
165.01901	4.7
171.09158	1.1
171.10301	17.7
191.05597	7.1
199.09801	5.1
201.11400	1.7
213.11388	1.8
217.10851	17.2
243.04814	1.1
261.13434	18.8
289.07162	1.3
291.14523	9.6
304.05106	1.2
321.15433	1.6
335.16956	1.2
379.15869	2.2
393.17932	8.4
410.29492	1.5
453.19791	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	451.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41337	7.8
56.11947	9.3
59.01390	100.0
60.30356	10.3
67.03325	9.2
92.10859	10.6
105.72038	12.9
113.66103	10.9
127.18179	10.8
133.87868	11.8
142.47729	11.6
428.04388	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.279
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.02023	0.2
55.95874	0.2
59.01384	1.7
60.40123	0.2
60.89532	0.2
61.98840	1.3
62.96432	0.2
64.77597	0.2
68.64384	0.2
75.34695	0.2
78.95901	20.8
87.30944	0.2
92.10246	0.3
122.00182	0.9
123.49232	0.3
135.32196	0.2
135.63470	0.3
140.01219	6.9
152.99588	1.7
161.83757	0.2
162.63882	0.2
175.31726	0.2
196.03831	9.1
214.04887	1.3
229.29991	0.2
255.23329	100.0
256.23679	1.6
338.35013	0.2
339.96759	0.3
452.27884	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16736	0.4
59.01384	0.8
61.98853	0.3
71.01411	0.6
78.68855	0.3
78.95895	2.6
79.95765	2.4
85.02982	0.4
88.29803	0.3
89.02435	0.6
90.62186	0.3
96.96017	100.0
96.96898	3.6
97.95937	0.7
98.95599	25.9
98.96426	4.5
99.04525	0.4
99.92590	8.0
100.93382	1.4
115.92079	17.2
116.92857	2.0
118.98082	0.6
123.04552	0.6
129.25670	0.3
133.02892	0.4
134.03751	3.4
135.04532	4.2
149.02368	0.3
161.02481	0.7
179.03557	2.4
181.84885	0.4
191.05670	3.8
192.05946	1.6
193.06137	1.9
215.95073	0.3
216.95955	0.8
217.96817	4.9
218.97580	17.5
221.96269	0.6
243.06865	0.4
244.95467	0.5
262.96555	27.9
355.04361	0.4
355.08725	0.5
373.00211	2.0
391.01315	11.0
417.13687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65321	0.5
55.68579	0.5
58.44919	0.5
59.01400	3.6
59.01683	0.5
60.29008	0.4
60.64550	0.4
61.98836	3.1
71.01386	1.2
74.44890	0.5
78.95924	2.5
79.95749	2.0
84.95141	0.9
88.98815	2.3
89.02453	1.2
96.96011	100.0
96.96892	3.5
98.95611	6.3
98.96170	0.7
99.04508	1.0
99.92605	1.1
100.99089	0.5
101.02413	1.0
102.98605	0.5
115.92121	3.7
118.43121	0.5
125.02397	0.8
126.53709	0.5
134.03799	0.7
135.04521	0.5
191.05620	0.7
217.96768	1.0
218.97643	3.6
262.96521	6.3
391.01300	2.1
417.14093	2.4
453.13892	0.6
479.25320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74761	0.3
52.82695	0.3
54.79127	0.2
59.01375	1.3
60.71087	0.3
72.99312	0.4
73.02937	1.7
76.82766	0.3
78.95901	100.0
85.02930	0.4
87.00858	0.3
89.02408	0.3
93.03471	2.4
96.96003	6.7
96.96959	0.6
98.95593	1.5
103.39623	0.3
110.98538	73.4
111.04526	0.7
113.02448	1.3
137.02405	0.4
153.97314	0.3
173.04530	4.7
245.04486	0.4
279.11151	0.5
308.33771	0.4
341.11462	0.4
355.08734	0.4
453.10477	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	451.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68878	5.4
57.03451	7.0
59.01381	100.0
59.01596	5.0
61.98828	94.2
71.01398	32.2
72.99319	8.2
73.02980	12.1
73.27604	7.1
89.02441	93.8
91.05645	6.0
99.00880	9.5
101.02473	36.5
107.01414	23.8
107.05842	6.1
121.02955	9.9
125.02405	10.5
149.02388	7.4
149.04578	42.1
151.00406	45.3
152.01212	8.4
185.06029	8.4
197.72771	6.6
203.12798	9.4
227.16632	14.2
229.05078	8.8
255.02983	72.8
257.04605	46.3
283.02423	67.1
289.16687	32.9
301.03546	36.7
361.86041	7.2
415.16211	78.8
451.08597	71.0
451.14310	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39466	1.9
57.03456	2.5
59.01383	100.0
61.98834	94.0
71.01369	16.1
72.56954	2.0
73.02956	8.1
75.53205	2.0
85.02967	11.0
87.00898	2.2
89.02444	18.0
96.96021	2.9
101.02458	9.6
107.01406	2.5
113.02446	3.4
119.03503	3.0
121.02931	3.4
125.02427	10.6
140.03946	2.1
149.16017	2.5
151.00395	12.0
161.04584	3.2
176.04797	3.0
179.05556	3.1
201.09587	4.0
221.08192	2.5
229.14490	2.6
239.09137	3.4
255.03015	4.9
257.04550	8.7
271.15332	2.6
283.02493	9.5
301.03467	5.3
391.19727	13.7
398.42749	2.7
451.08768	11.6
451.14157	9.4
451.21207	3.5
451.29700	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	451.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89671	1.6
57.03450	2.2
59.01384	100.0
60.01724	4.3
61.01811	1.9
61.98831	19.0
68.26580	1.7
71.01375	25.6
71.01661	1.7
71.24618	2.0
73.02980	2.8
83.01411	2.9
83.82983	2.0
85.02967	12.4
88.98809	10.4
89.02430	13.4
101.02460	16.5
109.02949	3.2
111.00980	2.0
113.02474	8.4
119.03522	4.2
119.08658	3.0
121.02953	8.2
122.25925	1.9
123.89184	2.0
129.50122	1.9
131.21747	2.0
131.22659	2.1
137.09746	11.9
139.04094	1.8
153.01961	13.6
161.04576	8.0
165.01880	2.7
181.08701	50.5
193.70992	1.8
218.37633	2.0
343.06073	2.2
391.23419	25.8
451.20978	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	451.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82803	0.4
57.03451	0.5
59.01396	3.0
60.35493	0.4
61.98837	0.7
63.53322	0.4
67.01887	1.0
69.03466	1.8
71.01376	0.5
81.03452	3.3
83.05019	5.1
85.02929	0.7
93.03461	4.3
95.05040	0.8
109.06603	0.4
119.08670	4.3
121.06564	2.5
125.02475	0.7
135.08174	2.7
137.02443	0.9
137.09726	85.1
137.86182	0.4
138.10094	0.6
151.00359	0.9
153.09210	3.2
171.08266	0.4
181.08719	100.0
182.09058	0.6
183.10237	2.4
194.06412	0.4
197.11914	0.4
209.47694	0.4
265.14853	0.4
275.95102	0.6
352.82285	0.5
407.11313	0.5
445.28635	0.5
451.15509	0.6
451.27475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.7
59.01384	67.2
60.70872	0.8
61.98834	2.1
62.60811	0.7
69.03472	1.2
71.01382	12.1
73.02969	3.4
81.03432	1.1
83.01425	3.6
85.02978	5.9
87.00851	0.8
89.02462	5.7
93.03457	10.1
95.01402	0.9
95.05032	1.6
97.02947	1.1
97.06621	1.0
99.44937	0.8
101.02444	6.9
109.02222	1.8
109.02958	41.0
109.03681	1.6
111.04545	5.7
111.08204	2.0
113.02459	5.3
117.03476	5.3
119.03485	1.5
119.05042	3.7
121.02947	6.4
123.00922	3.5
123.04521	7.9
124.01664	1.4
125.02448	28.6
125.03310	1.6
125.09740	2.0
133.02971	8.0
136.49333	0.9
137.02461	5.4
137.09711	1.5
139.04016	19.7
139.11311	1.6
145.02985	8.7
145.72293	0.8
147.04538	5.3
148.09273	1.0
149.02448	2.0
149.06224	1.0
150.06847	10.9
151.00375	1.2
151.04005	4.4
153.09251	1.6
159.04518	1.4
161.01280	0.9
161.02419	6.7
161.04544	4.4
161.05936	1.1
162.03236	0.9
165.01947	3.5
166.02705	1.1
167.03506	10.2
176.01129	1.4
177.01938	44.8
179.03476	1.5
181.08794	6.1
181.12225	1.0
183.10249	14.5
187.04031	1.4
189.01945	100.0
190.02695	10.6
191.03537	9.6
197.05885	0.9
203.03587	9.3
216.00645	14.3
217.01437	75.5
218.02081	1.2
219.02963	11.7
229.05040	5.6
229.10886	1.0
231.03004	15.3
232.03882	1.2
233.04575	4.6
241.05074	10.8
267.16028	0.9
268.03842	1.5
269.04602	9.0
271.06204	2.0
281.04620	1.1
283.06110	11.9
287.05646	1.6
289.20038	0.9
297.04187	1.1
297.07718	0.9
299.05975	1.2
305.06696	3.4
311.05646	43.1
311.09018	1.8
325.07291	3.6
341.02509	1.2
341.06671	35.8
357.06219	58.3
391.23444	28.8
451.10406	40.9
451.20139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65061	0.1
58.05767	0.1
58.73333	0.1
68.75071	0.1
69.35738	0.1
77.32752	0.1
78.95910	1.7
79.95752	1.8
96.96019	100.0
96.96895	3.0
147.93460	0.1
226.28369	0.1
270.32410	0.1
453.62582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.125
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.09054	0.3
57.03453	0.7
59.01387	5.2
61.31097	0.3
62.86280	0.4
68.99581	0.8
71.01384	1.8
72.14005	0.3
79.95731	2.1
81.03436	0.7
83.01411	2.0
85.02972	0.6
85.31594	0.4
88.98779	0.5
89.02457	1.8
93.03455	0.6
95.01395	0.7
95.05027	1.6
96.96009	100.0
97.02950	2.6
98.95621	0.5
101.02438	1.7
101.29240	0.4
102.49979	0.4
109.02957	10.8
112.98598	0.7
113.02457	0.5
116.92897	0.9
118.42508	0.4
121.02927	1.8
123.04530	9.0
125.02434	8.5
135.04512	0.9
137.02435	8.8
139.03996	0.7
144.30893	0.5
145.02956	0.5
149.02426	2.6
150.03171	0.4
151.04021	4.4
160.52100	0.4
161.02437	1.8
161.04622	0.6
161.06053	2.4
162.03255	0.8
164.01138	1.0
165.01913	4.0
167.03455	0.7
175.03978	0.7
175.07625	0.5
179.03519	3.7
185.06094	0.5
187.03970	2.3
188.04781	2.3
189.01881	0.7
191.05559	1.0
202.06310	0.6
203.07173	7.3
205.05028	4.5
221.08212	0.8
227.07033	0.4
242.09204	0.4
245.08180	8.2
247.06253	0.5
259.08224	2.3
289.07208	38.7
353.09991	1.9
405.21365	1.6
442.09567	0.5
451.12531	2.4
455.90283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.125
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
57.03452	3.8
59.01382	5.6
60.93314	0.2
61.98832	1.7
71.01374	0.4
73.02966	0.3
81.03456	6.5
82.60949	0.3
83.01379	11.8
83.01881	0.5
84.88311	0.3
85.02956	0.5
89.02441	0.4
93.03461	1.6
95.05043	0.5
99.04517	0.5
101.02432	0.6
107.01388	0.5
108.02192	0.3
109.02950	6.0
119.03510	0.4
121.02932	1.2
123.04519	42.0
125.02441	37.9
135.04523	4.2
137.02422	1.7
145.02933	0.4
146.03740	0.3
149.02438	1.8
151.00388	2.5
159.04564	0.4
160.04085	0.4
163.04047	0.4
167.03499	100.0
169.01396	0.4
179.03462	1.6
187.04019	1.5
191.03503	2.3
203.07167	0.6
227.07118	0.7
245.08138	2.8
271.06158	4.7
289.07211	55.2
297.69421	0.3
391.23187	0.3
406.95334	0.3
451.20337	0.5
451.25891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01396	5.8
61.98839	0.8
63.40587	0.7
69.03479	0.8
71.01405	2.9
76.50270	0.7
79.95760	0.8
80.43965	0.7
81.03464	3.0
82.95422	14.8
83.01379	5.8
85.03005	1.0
87.24853	0.7
88.98813	1.4
89.02468	1.1
92.10105	2.2
93.03462	3.8
95.01376	1.3
95.05029	4.2
96.96011	100.0
97.02940	10.5
108.02182	0.9
109.02960	30.4
120.22676	0.8
121.02934	4.9
122.03738	1.7
123.04519	27.2
125.02437	21.8
135.04555	3.1
137.02451	29.0
138.03224	1.0
139.04033	6.9
145.02913	1.7
146.03743	1.3
149.02441	8.0
150.03177	2.6
151.04008	18.1
157.06564	0.8
159.04521	3.8
160.05316	1.6
161.02423	3.0
161.06065	7.1
162.03212	3.0
163.03990	1.8
164.01210	6.6
165.01939	12.5
166.02638	1.0
167.03479	1.5
173.04605	1.3
173.06065	1.4
174.03223	0.8
175.03960	3.4
175.07533	2.6
177.05516	0.9
179.03523	9.7
185.06000	1.0
187.03990	6.6
188.04816	5.1
191.05608	15.1
201.05676	0.7
202.06358	3.5
203.07169	18.9
203.08925	0.9
205.05103	10.9
212.04784	1.0
221.08192	7.2
227.07158	1.5
230.05833	0.9
231.03027	0.9
241.60103	0.8
245.08202	27.2
247.06036	0.9
263.81577	1.0
271.06064	3.1
289.07205	72.5
295.71503	0.8
353.08899	2.9
391.09464	0.8
451.12531	40.5
451.18637	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	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27251	0.6
57.83137	0.7
58.52488	0.7
59.01382	1.8
60.29725	0.6
66.24903	0.7
66.43764	0.7
69.03458	4.0
81.03450	1.2
84.44025	0.7
84.50879	0.8
84.98631	0.7
85.02985	1.3
91.45102	0.8
92.10152	1.0
93.02856	1.7
93.03454	47.9
95.01397	1.5
97.02970	3.4
98.76269	0.8
107.01404	1.1
108.02172	0.8
113.02368	0.9
121.03008	1.1
123.00865	8.6
124.01651	25.2
125.02439	46.8
125.52536	0.7
137.02444	66.5
149.99588	44.1
151.00334	3.8
151.04062	0.9
165.01993	0.8
168.00639	86.4
169.01431	7.6
171.30685	0.7
181.08702	4.2
227.03566	3.9
251.66180	0.8
259.57437	0.8
313.05704	19.5
323.96545	0.9
331.06741	39.2
402.81985	0.9
451.08871	100.0
452.09442	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74842	0.7
54.28260	0.8
57.03469	3.8
59.01379	64.3
61.98826	24.7
63.02397	1.5
65.00317	19.1
65.00626	0.9
67.64614	0.8
71.01370	10.4
73.02953	4.8
83.01379	11.1
83.05012	1.1
85.02943	4.1
89.02451	5.3
95.01370	2.0
99.04494	1.7
101.02426	8.7
107.01380	31.8
109.03028	1.1
113.02446	3.7
116.92831	1.5
119.03512	1.1
121.02967	5.5
123.00871	4.9
123.04594	1.0
124.01642	8.8
125.02429	19.6
133.02934	1.1
137.02425	1.2
137.08397	0.8
138.03244	1.2
139.04031	1.6
141.02046	1.2
143.05084	1.2
149.02507	7.0
151.00365	100.0
151.03990	16.3
152.01152	31.9
153.01935	1.5
159.04468	1.5
161.02419	1.0
161.04521	0.9
163.03970	1.7
165.01968	3.5
166.02704	31.9
167.03488	13.4
169.01419	4.7
175.00359	4.8
175.03999	2.0
177.02008	1.4
178.99838	30.7
187.03967	6.4
191.03488	1.8
192.00687	8.6
193.01465	14.2
203.03456	1.9
211.04025	2.1
215.03493	14.4
227.03517	1.1
229.05025	1.1
229.14490	4.5
231.03049	3.7
239.03514	1.1
239.09171	1.1
255.03041	4.8
257.04596	4.0
258.12100	0.9
273.04044	1.8
283.02490	6.0
299.07782	5.6
301.03555	47.7
302.04126	1.3
317.06586	2.0
318.03766	1.9
319.04697	3.5
325.05563	9.8
361.13147	1.0
390.22006	1.3
391.19696	38.3
403.17548	1.4
418.12817	1.5
433.07516	1.8
433.14908	1.4
436.13873	1.4
451.09088	4.5
451.15955	1.2
451.21655	4.6
451.29449	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01986	1.2
51.43931	1.4
57.03455	3.2
59.01397	10.0
59.68083	1.4
60.06337	1.3
61.98839	1.9
63.02411	2.1
64.13070	1.4
65.00333	15.9
71.01394	9.5
73.02953	12.8
73.48858	1.4
75.54785	1.6
83.01404	10.2
85.02962	2.4
89.02457	7.8
95.01358	2.3
96.96017	26.5
101.02454	4.0
107.01404	30.5
109.02986	2.8
114.39058	1.7
121.02919	3.5
123.04541	3.7
124.01659	9.7
125.02454	18.2
130.89281	1.4
135.04526	20.2
137.02502	3.5
139.03992	2.3
149.02493	12.1
150.99158	3.5
151.00383	100.0
151.04016	17.3
152.01178	31.7
153.81136	1.6
159.04498	1.7
161.02425	19.1
165.01962	4.0
166.02713	35.5
167.03490	8.7
169.01447	2.0
172.06786	1.7
175.00351	3.8
178.99870	26.8
179.03481	7.0
183.04562	1.5
187.03984	4.0
191.05588	3.8
192.00656	7.5
193.01379	9.3
211.03976	2.1
215.03506	13.4
227.03555	2.0
229.05083	2.4
255.02975	3.0
257.04642	2.6
271.09708	2.5
273.04135	1.6
283.02414	6.7
289.07135	3.4
299.07852	3.2
301.03568	41.6
310.08496	2.1
318.03821	1.8
319.04678	2.2
325.05722	8.5
343.11749	1.9
355.11871	2.1
391.14078	11.1
405.21365	2.2
415.12378	16.1
451.08368	2.3
457.24774	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45020	0.8
57.03461	5.3
59.01385	28.1
59.01653	1.6
61.98842	5.8
63.02403	2.5
64.00743	1.0
64.51376	1.0
65.00328	14.2
71.01384	10.3
73.02973	1.6
73.45995	0.9
75.00896	1.1
76.54745	0.9
81.03458	2.0
83.01407	11.8
85.02966	1.2
89.02454	6.5
93.03481	1.9
95.01408	1.8
99.00893	1.5
101.02459	5.4
105.03488	1.6
107.01395	23.4
109.02950	2.4
111.00887	1.4
115.33165	1.1
117.38020	1.1
118.42004	1.0
119.03478	1.3
119.05054	2.6
121.02937	8.6
123.00829	1.5
123.04567	1.7
124.01685	6.0
125.02441	24.7
133.02948	1.5
143.05067	8.1
145.03014	5.0
145.06618	1.0
146.03809	1.3
147.04503	8.6
149.02457	19.8
151.00381	54.2
151.04047	2.3
152.01152	15.9
155.05093	1.5
157.06577	1.7
159.04510	2.3
161.06068	4.8
163.00327	2.1
163.03987	1.5
164.01192	11.5
165.01915	1.8
166.02744	2.1
167.03543	2.3
167.05017	1.5
168.99915	1.0
169.01414	3.8
169.02983	1.4
169.06601	1.5
171.04553	7.1
173.02499	1.4
175.00354	1.9
175.04021	1.4
177.01884	2.1
178.99849	10.5
183.04512	6.0
185.02530	1.5
185.06134	8.8
187.04024	8.3
189.05640	7.2
191.03523	2.4
192.00681	12.7
193.01421	1.5
199.04221	1.2
201.05649	1.6
203.03561	1.4
211.04001	12.2
213.02054	2.1
213.05591	4.8
215.03560	10.3
217.01813	1.3
227.03560	8.1
229.05099	12.9
233.04639	1.7
239.03494	6.1
246.75908	1.1
255.03024	79.2
256.03705	2.6
257.04584	44.4
273.03955	4.6
283.02530	68.6
301.03558	42.5
325.05811	4.4
391.19388	1.9
405.08267	1.6
415.16473	1.7
433.07870	5.8
451.08920	100.0
451.21960	8.6
451.29294	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	449.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01387	100.0
61.98845	1.8
66.09901	0.8
85.02962	1.1
89.04147	0.8
117.37272	0.9
130.41693	0.9
130.73305	1.1
135.08118	1.7
141.83485	1.0
146.27307	0.9
253.18109	1.5
262.70752	1.0
466.96671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36267	0.2
52.06130	0.2
59.01380	3.1
61.98834	100.0
71.01400	0.9
83.73132	0.2
89.02440	0.4
93.25336	0.2
98.68555	0.2
101.02445	0.5
101.45992	0.2
125.02448	0.3
178.86497	0.2
384.06573	0.2
388.20538	0.3
389.21176	0.3
390.21402	1.3
450.20670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57392	0.1
54.64623	0.1
55.35907	0.1
59.01382	0.9
65.44041	0.2
71.01359	0.2
73.25735	0.2
79.95724	1.1
81.03459	0.2
85.02957	1.1
93.03443	0.3
94.23804	0.2
96.96001	100.0
97.02954	0.3
98.95607	0.2
105.92249	0.2
109.02950	0.7
121.02950	0.4
123.04526	0.4
125.02439	0.4
127.03988	0.4
133.02988	0.2
135.04524	0.4
137.02444	0.8
151.04005	0.3
165.01903	0.3
170.98637	0.2
179.03471	0.3
191.05611	18.9
203.07106	0.3
205.05086	0.3
245.08087	0.9
250.68102	0.2
289.07144	2.2
353.08749	2.5
357.82602	0.2
376.91486	0.2
448.27094	0.2
451.12320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05199	0.5
52.63100	0.4
55.01870	2.1
57.03453	1.4
58.96363	0.4
59.01374	21.9
62.99319	0.5
71.01373	11.9
72.99313	0.8
73.02935	3.7
83.01389	2.1
85.02937	7.0
87.00869	2.3
89.02409	4.7
89.37411	0.5
93.03445	1.0
95.01377	0.9
95.89038	0.5
99.00861	0.8
101.02419	9.0
111.00845	0.7
113.02423	3.9
119.03523	0.7
121.02988	0.9
135.04506	1.2
148.65387	0.6
167.49434	0.6
167.50946	0.6
191.05620	3.4
224.94325	0.6
230.65701	0.6
239.20137	0.7
245.35750	0.5
269.18338	0.8
269.21185	6.4
287.22278	41.1
288.22678	0.6
344.67010	0.6
376.90280	0.5
389.65921	0.6
431.26328	2.5
449.27576	100.0
450.28036	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	449.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01389	2.9
59.74046	0.2
60.43290	0.2
61.98839	0.4
69.03461	0.4
83.05032	0.3
94.41862	0.2
99.17763	0.3
111.04501	0.2
121.02959	0.5
123.08170	0.4
137.09763	0.2
147.04523	0.3
149.06075	0.3
167.10777	100.0
168.11107	1.1
174.04208	0.2
229.72545	0.2
286.12366	0.2
449.16245	2.0
449.25510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01387	8.0
61.98841	0.8
65.85107	0.3
69.03466	0.5
69.24926	0.3
71.01386	0.3
73.02934	0.5
83.05038	0.7
85.02913	0.5
97.02955	0.3
97.06572	0.4
99.04530	0.4
111.04508	0.6
111.08145	0.4
121.02946	0.7
121.06549	0.3
123.08178	1.3
125.02408	0.3
125.06073	0.3
132.19612	0.3
135.08218	0.4
137.02438	0.4
139.07619	0.4
147.04539	0.4
151.07672	0.5
156.08492	0.3
163.11299	1.3
165.09146	0.6
167.10820	0.5
176.90630	0.4
179.10783	100.0
180.11118	3.0
181.08730	0.5
181.11392	0.5
195.10278	0.4
202.33521	0.3
226.54002	0.4
379.42804	0.3
404.83310	0.4
449.25348	2.8
473.29071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12164	0.4
54.37432	0.4
55.01876	0.8
57.03465	0.7
58.00589	1.2
59.01385	100.0
59.18120	0.4
60.36568	0.4
60.88023	0.5
61.98833	5.0
62.04359	0.4
65.00333	3.1
67.69525	0.6
69.03482	0.5
71.01382	10.3
72.99306	1.3
73.02945	4.1
83.01363	3.8
85.02946	5.2
87.00867	1.0
87.93777	0.5
89.02443	9.9
93.03458	1.0
93.55895	0.5
95.05031	0.6
99.00844	0.7
101.02432	9.6
107.01392	3.5
113.02444	4.9
116.92850	0.8
119.03500	3.6
121.02950	2.8
123.04524	1.0
124.01652	0.9
125.02444	3.7
135.04498	0.6
137.02426	1.0
139.04024	2.1
141.83244	0.5
143.88739	0.5
149.02444	3.0
150.03221	2.5
151.00395	10.9
151.03984	3.2
152.01186	2.0
159.03082	0.8
160.04025	1.1
161.04543	3.2
165.02016	0.6
166.02684	0.8
166.06398	1.0
171.02921	0.6
175.04140	0.6
177.01918	10.9
178.02678	0.9
178.99818	0.9
179.05638	0.7
189.01785	0.7
191.05627	2.8
192.04292	3.3
193.05045	3.2
197.15451	0.9
207.06718	0.6
209.11940	0.6
210.05273	0.7
223.06158	0.7
225.07727	6.4
227.07076	2.2
241.05121	0.7
248.44202	0.6
257.04483	0.6
269.13968	2.2
285.04114	6.4
303.05017	2.0
329.06631	1.1
351.17346	0.6
359.20816	40.7
360.21350	0.6
371.20807	2.6
389.21701	2.5
449.09842	1.0
449.23981	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	449.2755
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
51.50838	0.3
52.56076	0.3
55.01878	1.4
57.03457	1.4
58.00606	0.4
59.01381	14.9
61.98800	0.4
71.01381	10.7
72.99304	0.6
73.02953	2.6
83.01402	3.2
85.02956	6.7
87.00880	2.2
89.02454	3.1
92.65430	0.3
93.03435	0.9
95.01309	0.5
98.71896	0.3
99.00882	1.2
101.02430	6.6
111.00898	1.2
113.02449	2.3
113.09727	0.6
117.03471	0.4
119.03493	0.7
121.02979	0.4
124.01579	0.4
125.02439	1.4
125.09698	0.3
127.11257	1.6
135.04550	0.7
143.10674	0.6
173.04611	0.4
191.05574	2.0
220.00389	0.4
241.21671	1.2
269.21210	3.7
285.20593	1.4
287.22275	47.2
299.22226	0.4
302.81488	0.4
323.70804	0.4
325.63663	0.4
413.22067	0.6
431.26450	2.3
449.27554	100.0
450.27795	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61777	0.4
55.01881	0.5
58.86460	0.5
59.01377	100.0
61.98838	3.3
65.83517	0.5
70.28292	0.4
71.01371	12.3
71.01727	0.6
73.02941	2.0
83.01382	0.9
85.02927	5.7
89.02431	11.1
89.02930	0.8
92.10813	1.0
95.01405	0.8
99.00845	0.7
101.02415	9.2
113.02444	5.2
119.03499	4.8
137.09654	0.5
161.04538	3.2
167.03462	0.7
179.05592	2.1
195.08598	0.5
253.49637	0.5
312.31775	0.6
371.20676	0.7
389.21851	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.0
58.00614	0.7
58.38838	0.4
59.01386	100.0
60.39148	0.5
71.01382	16.3
72.99297	0.5
73.02961	0.7
83.01382	0.9
83.11224	0.5
85.02972	3.8
87.00890	0.8
89.02442	24.9
93.03468	2.4
95.01376	0.8
96.94363	0.5
99.04514	0.8
100.89539	0.5
101.02438	8.4
101.31009	0.5
107.01433	1.1
113.02454	8.8
113.76571	0.5
117.03474	8.0
119.03495	9.4
121.02929	0.6
123.04577	0.7
125.02427	12.0
139.00377	0.6
143.03520	0.8
149.02444	3.4
151.00381	3.3
153.09183	3.6
161.02452	2.2
161.04587	3.1
165.12721	0.8
167.03491	2.4
179.05634	10.3
181.08685	0.7
191.05646	3.6
193.01447	5.6
207.13948	0.6
209.11876	3.2
209.15535	2.6
227.03586	2.0
228.03859	1.9
229.04121	1.0
255.03029	1.8
256.03693	0.7
257.03571	0.7
269.04660	3.6
269.13998	10.1
284.03232	0.8
286.03897	1.2
287.14948	0.6
313.53452	0.6
389.21893	14.7
430.06763	0.5
449.10629	4.3
449.19467	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01383	100.0
61.98835	0.4
71.01382	11.3
72.99306	0.7
75.83916	0.4
85.02948	2.9
85.60723	0.3
87.00873	0.7
89.02440	20.0
89.25864	0.4
95.01387	0.6
101.02441	7.0
110.00082	0.6
111.08192	0.6
113.02450	5.8
116.92873	0.4
119.03506	7.3
127.59660	0.4
131.03476	0.6
143.03529	1.7
153.01933	0.7
153.09193	3.7
155.10773	1.8
161.04562	3.3
165.12764	0.7
166.99895	0.7
177.01991	0.5
179.05638	6.6
191.05556	3.2
192.04277	0.6
207.06644	0.5
209.11861	0.5
209.15504	3.4
286.04465	0.6
287.05612	1.6
389.21872	13.4
449.10754	2.4
449.23856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.60299	0.6
61.98819	0.8
71.01379	19.9
71.58150	0.6
73.02946	0.9
74.56439	0.7
83.01375	0.8
85.02959	3.8
89.02437	29.6
92.10757	1.3
95.01414	2.8
101.02425	11.4
113.02468	9.0
119.03492	14.0
138.72864	0.6
143.03485	2.5
153.09216	6.3
161.04518	1.0
166.76965	0.7
179.05591	8.8
181.08713	0.8
191.05681	1.1
209.15451	5.7
282.76102	0.6
296.86157	0.7
389.03336	0.6
389.21848	28.6
389.64575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.1
58.00594	2.0
59.01101	3.4
59.01382	100.0
68.48405	2.1
71.01379	22.9
85.02985	4.5
89.02441	15.8
92.10085	2.3
99.04517	11.3
101.02419	8.5
113.02446	8.2
119.03491	3.2
122.05437	2.2
151.00392	7.5
152.01187	3.5
165.12834	4.7
167.66458	2.1
207.13896	12.7
209.11830	46.5
225.14949	8.5
251.12971	3.6
269.13943	90.1
443.18207	1.9
449.20206	69.0
470.61505	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66607	1.5
58.02707	1.3
59.01387	100.0
59.43717	1.3
59.58604	1.3
66.04553	1.5
66.64880	1.5
71.01379	17.4
82.21937	1.8
83.01406	2.7
85.02913	2.7
89.02443	19.4
90.10261	1.5
99.04519	10.6
99.99580	1.9
101.02439	10.1
107.01397	2.6
113.02427	3.5
119.03492	4.1
135.04503	17.9
151.00351	23.5
158.40886	1.8
163.16898	1.7
165.12801	3.4
165.85637	1.7
198.70610	1.7
207.13884	9.0
209.11865	27.4
225.14920	10.3
227.12866	2.5
230.94261	2.1
251.12953	2.6
269.04605	1.8
269.13974	75.3
285.03824	1.9
286.04083	3.0
287.05542	18.2
287.15094	9.0
351.89984	1.8
449.10562	3.5
449.20294	92.0
450.20209	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	449.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	6.4
58.00607	2.2
59.01387	100.0
71.01385	44.5
72.99334	2.1
73.02934	1.4
76.50387	1.2
80.91691	2.4
83.01408	2.3
85.02964	8.8
86.21776	1.2
87.00886	1.9
88.98806	1.2
89.02446	44.6
95.01414	2.7
96.96014	36.7
97.02962	1.1
98.95612	1.4
101.02451	24.4
101.69686	1.1
105.03407	1.2
108.35138	1.0
113.02454	18.0
116.92935	1.6
119.03513	20.4
121.02957	4.3
124.01705	1.6
125.02452	19.6
131.03526	1.5
137.02448	5.2
143.03549	2.0
148.26437	1.3
149.04660	1.6
151.04056	4.8
161.02464	15.8
161.04555	2.4
165.01884	2.4
167.03490	2.3
176.04828	12.3
177.01926	7.0
179.03534	23.4
179.05557	9.1
191.07182	5.7
194.05885	25.1
209.08241	56.8
212.06898	1.4
227.09229	5.0
335.05182	1.1
389.14609	11.8
430.26340	1.2
464.73557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61280	3.3
57.03446	5.4
59.01390	100.0
60.03685	4.4
60.10330	4.4
61.98833	10.6
71.01383	20.6
73.02949	4.1
78.91347	3.5
85.02948	16.6
85.77883	3.9
85.82549	3.9
89.02443	8.7
101.02423	8.0
114.05297	4.5
121.02973	17.4
123.79509	4.2
141.09235	6.5
157.03682	4.8
158.17313	4.1
227.16524	24.1
251.16570	61.7
267.16330	5.5
269.21255	19.5
449.19733	8.7
449.27063	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	449.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09783	0.5
51.76905	0.5
58.00599	9.2
59.01387	19.3
61.32016	0.5
61.98840	11.8
64.81728	0.7
71.01398	4.1
73.02959	0.7
80.91659	0.6
83.01390	0.7
85.02979	1.4
89.02449	4.2
92.10193	0.6
93.03455	1.0
95.05032	0.9
101.02452	3.7
107.01389	1.3
113.02448	1.6
121.02992	6.6
124.01669	3.7
125.02417	1.0
137.02477	2.7
138.03278	0.9
139.04016	17.9
149.01260	1.0
149.02455	24.6
150.03191	1.1
151.00333	9.2
151.04002	2.8
152.01109	1.2
152.04762	2.8
153.05635	2.3
160.01694	0.7
160.04034	1.0
163.00368	10.6
165.01971	3.3
166.02698	7.4
167.07117	1.6
173.04601	1.2
177.01941	100.0
178.02721	12.6
179.03461	3.1
180.04161	1.1
181.01479	3.7
181.05080	3.6
183.06625	3.5
184.03722	1.0
187.07686	1.1
191.05666	1.0
192.04317	24.1
193.01410	4.4
193.05054	15.3
195.02934	3.0
196.03764	6.7
197.04533	0.9
207.06664	3.7
208.03790	3.0
209.04634	1.3
210.05362	5.4
211.06137	8.3
221.53368	0.7
223.06100	4.7
225.07715	62.3
240.37675	0.6
250.80461	0.7
285.03943	1.0
303.04752	0.8
334.55460	0.7
371.20825	0.7
389.21820	3.7
449.09888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.0
59.01385	27.1
61.98825	1.0
63.02399	1.5
65.00332	6.1
69.03471	1.1
71.01379	9.0
72.99309	3.8
81.03462	7.1
83.01394	8.9
85.02968	4.8
89.02446	8.4
93.03472	6.5
95.01357	1.5
96.96022	5.4
97.02966	0.9
101.02452	5.4
102.98601	1.4
107.01423	11.7
108.02198	1.1
109.02985	1.7
113.02480	1.8
116.92854	1.7
119.03510	2.0
119.05055	0.9
121.02974	7.8
123.04489	3.8
124.01679	3.9
125.02444	76.2
126.02788	4.6
133.02930	5.6
139.04034	3.7
145.02997	1.4
149.02431	5.1
150.99182	1.2
151.00381	34.0
151.04013	1.4
152.01167	5.8
153.01941	9.2
154.01463	17.6
155.01791	10.3
157.06615	1.0
159.04532	1.3
161.02458	5.6
165.01942	3.7
169.01482	1.9
172.05284	4.7
173.06049	12.3
175.00327	2.3
175.04025	3.7
176.00969	1.1
177.01935	1.0
177.05594	7.3
178.99849	19.6
181.01456	3.5
199.04007	1.9
199.07635	0.9
201.01840	0.9
201.05609	5.5
203.03555	1.4
215.03732	1.1
215.07169	17.3
241.04999	2.2
243.03032	8.6
243.06593	9.3
244.03366	1.1
251.09302	1.7
259.06128	100.0
260.06308	0.9
269.04550	3.8
269.13986	1.4
271.02615	9.5
271.05365	1.1
273.07687	1.7
283.06192	16.2
287.05640	59.9
299.02011	13.8
300.02661	1.5
301.03668	1.8
301.07202	7.2
302.03629	0.9
313.07297	1.4
389.21658	2.0
421.11414	12.7
449.11136	11.3
449.20267	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	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21570	0.2
59.01378	1.8
60.99315	0.2
61.98838	4.2
63.02400	1.8
65.00326	10.3
69.11735	0.2
71.01360	0.2
75.00864	0.4
77.65437	0.2
83.01382	5.7
88.98832	1.4
89.02422	0.2
89.52711	0.2
92.12531	0.2
97.57852	0.2
101.02416	0.3
103.04005	0.3
107.01392	23.1
107.05105	0.2
108.02198	0.8
108.99330	0.3
109.02956	1.8
123.04465	0.2
124.07667	1.4
125.02452	4.2
126.31350	0.2
133.02888	0.3
134.03703	1.2
135.04526	86.0
136.01648	0.4
136.04800	0.3
137.02441	0.4
146.14784	0.3
146.82108	0.2
151.00380	100.0
152.00729	0.4
159.04526	0.4
161.02451	1.4
164.01163	0.8
165.01901	0.4
166.46701	0.2
169.01418	2.0
176.77005	0.2
177.01907	0.3
188.13864	0.2
191.05627	0.3
232.48746	0.2
243.06628	0.3
269.04565	0.4
273.02972	0.8
286.04968	0.2
287.05640	50.9
287.14078	1.1
297.09714	0.8
301.03137	0.4
302.03445	0.5
302.79944	0.2
449.10916	19.3
450.11209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74549	0.2
57.03460	0.5
59.01384	14.7
60.99315	0.3
61.98826	0.6
67.01892	0.6
71.01385	2.9
73.02969	1.4
75.16788	0.3
81.03463	0.6
83.05026	0.6
84.62209	0.3
85.02949	11.9
87.00868	2.9
89.02437	0.8
93.03449	4.5
99.04498	0.5
101.02444	0.6
109.02948	0.7
111.04514	2.0
113.02488	0.5
115.54683	0.3
116.92933	0.4
118.93398	0.3
121.02958	0.5
125.02365	0.4
127.04015	3.4
135.08165	1.7
139.04013	0.6
151.00342	0.6
153.01936	0.5
159.51569	0.3
165.12859	0.7
171.03018	0.6
172.05307	2.2
173.04538	1.9
177.01958	3.0
179.07159	2.6
183.04500	0.7
183.13933	1.7
187.07646	14.1
191.05626	100.0
192.04280	3.0
192.05917	0.7
192.07890	0.3
197.76469	0.3
199.04004	0.8
204.04237	0.5
207.06601	2.2
211.07776	0.5
213.09222	0.8
215.07216	2.7
216.55783	0.4
227.03510	2.5
227.12897	6.4
228.04288	1.7
231.10225	0.5
257.08224	10.4
269.13998	1.5
374.80704	0.4
389.21899	1.3
449.14651	4.6
449.27554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03454	0.4
59.01394	1.4
61.98845	2.0
63.02406	2.2
65.00329	9.9
76.70412	0.2
83.01382	5.3
92.10641	0.3
107.01392	22.3
109.02960	1.9
115.43779	0.3
124.07674	0.4
125.02454	3.8
132.25082	0.3
134.03729	1.5
135.04530	84.3
136.01648	0.4
136.04794	0.5
136.72139	0.3
138.66705	0.3
142.74800	0.3
151.00381	100.0
152.00656	0.3
161.02434	1.5
164.01157	1.4
165.01906	0.5
169.01419	1.7
177.01950	1.2
196.00203	0.4
269.04742	0.4
272.02921	0.5
273.02789	0.3
287.05646	51.0
288.05753	0.5
297.09839	1.2
328.33252	0.3
389.22223	0.3
449.10962	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	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54436	0.2
54.82859	0.2
57.03457	1.3
58.00606	0.2
59.01385	19.1
59.29236	0.2
60.01730	0.5
60.02050	0.2
61.01817	0.3
61.98846	1.2
63.02400	12.5
65.00323	12.4
71.01384	4.4
72.99306	0.5
73.02927	0.2
81.03486	0.4
83.01383	10.8
85.02984	1.1
89.02435	4.4
93.03467	1.8
95.01413	1.1
96.02190	0.5
97.02999	0.3
99.00879	0.4
99.04552	0.3
101.02460	2.7
107.01395	22.5
111.00877	0.6
113.02435	1.7
117.03465	6.0
119.03506	1.6
119.04996	2.0
121.02947	0.5
121.09406	0.3
123.00868	1.7
123.04512	0.6
124.01658	9.4
125.02454	8.6
129.09962	0.2
130.04205	0.3
131.05031	0.5
133.02963	1.4
134.03760	3.5
135.04538	7.5
139.00392	1.7
139.74248	0.2
141.01917	0.4
149.02397	1.1
151.00383	54.6
152.01163	56.6
155.04984	0.4
157.06686	0.3
158.03847	0.3
159.04530	1.4
159.05745	0.3
165.01950	0.4
169.01439	6.6
169.06535	1.6
171.04500	0.3
173.06061	1.2
177.05588	2.1
178.99872	36.6
179.06999	0.3
179.63322	0.3
180.00642	2.2
180.05826	0.6
181.06607	0.6
183.04553	0.4
187.07672	0.5
193.01448	1.1
196.05276	1.1
197.06068	2.0
199.04178	0.3
201.05615	1.6
202.06377	1.2
213.05652	0.4
215.07132	0.4
224.04683	0.4
225.05611	4.8
227.03371	0.3
231.10303	0.5
241.05101	1.8
243.06639	1.4
259.06107	6.0
269.04584	100.0
270.04861	1.6
286.04941	2.0
287.05649	2.7
323.07874	0.4
355.06683	0.3
389.22095	0.9
411.16772	3.9
413.17319	0.4
446.51114	0.3
449.10983	51.9
450.11234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
60.01728	0.4
61.01828	0.2
61.98835	100.0
64.35039	0.1
71.01384	1.1
72.01755	0.1
73.02944	0.2
85.02956	0.5
89.02433	0.8
92.10737	0.3
101.02431	0.8
104.97365	0.1
113.02428	0.3
119.03500	0.2
125.02453	0.2
147.12711	0.2
153.08978	0.2
154.09494	0.2
161.04593	0.3
196.37811	0.2
217.91750	0.1
249.03018	0.1
254.51836	0.1
351.10721	0.2
387.20044	0.3
388.20401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82359	0.2
57.03445	4.8
57.90870	0.3
59.01377	11.8
59.85434	0.2
60.01706	0.2
61.98827	100.0
62.98536	1.3
62.99252	0.2
65.00326	1.5
69.41682	0.3
71.01376	1.7
81.03447	0.6
82.06040	0.2
83.01377	2.1
85.02967	0.4
85.42426	0.2
89.02443	2.4
90.74023	0.3
93.03445	0.5
95.01378	0.3
101.02443	1.2
107.01383	2.4
107.05014	0.3
108.92253	0.3
113.02454	1.0
114.38702	0.2
117.03457	0.5
119.03482	0.6
121.02928	0.5
123.04530	0.4
125.02437	33.0
132.47336	0.3
133.02980	0.6
137.02475	0.4
139.03940	0.5
149.02399	2.0
150.03221	0.3
151.00362	7.4
152.01122	1.3
153.01932	2.4
157.06631	0.4
159.04509	0.4
165.01912	0.6
165.05537	0.3
167.03448	0.3
169.01237	0.3
169.06610	0.5
172.05273	0.4
173.06035	1.8
177.05524	1.2
178.99857	4.4
179.03488	1.3
179.05653	0.5
191.03442	0.3
197.06078	0.6
201.05525	0.6
215.07143	2.0
225.05611	1.6
241.05136	1.4
243.06635	2.2
258.59402	0.3
259.03339	0.5
259.06113	20.0
269.04556	20.2
269.07477	0.7
287.05609	12.5
328.40100	0.3
342.05701	0.4
449.10895	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	447.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31419	1.3
59.01390	100.0
72.11335	1.2
84.74252	1.1
104.93657	1.5
119.29887	1.3
276.55801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.1
59.01391	1.6
61.98854	0.2
69.03479	0.1
71.44086	0.1
83.05075	0.1
109.06586	0.2
114.31781	0.1
129.79375	0.1
135.08246	0.2
166.95262	0.1
174.37846	0.1
193.12354	100.0
194.12704	0.9
194.63930	0.1
289.38736	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3486
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
53.52113	1.2
57.46364	1.3
59.01387	4.0
60.28836	1.2
64.52512	1.4
70.88488	1.5
81.88744	1.5
107.74765	1.6
110.80419	1.5
123.04554	10.8
135.04575	2.5
136.05307	15.2
137.06058	2.0
151.07660	78.2
163.04080	1.9
164.04750	2.4
179.05666	2.9
179.07140	52.3
283.26453	3.3
365.26999	1.9
386.15289	1.6
419.35483	15.0
447.34854	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	448.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82699	0.3
56.65437	0.3
59.01392	26.3
60.01724	1.0
61.98840	24.4
61.99163	0.9
66.06786	0.3
69.99323	0.4
71.01392	3.3
72.01734	0.4
72.99318	0.5
73.02946	0.4
83.01366	0.6
85.02949	0.7
87.00877	0.6
88.98814	0.5
89.02451	5.8
90.02756	0.4
95.01347	0.4
96.96008	0.4
97.07557	0.4
101.02425	1.4
107.01383	0.9
107.06866	0.4
112.87996	0.4
113.02444	1.8
119.03504	2.2
125.02383	0.4
134.12650	0.4
135.00920	0.4
147.70284	0.4
151.00356	2.2
152.00790	0.7
161.04509	0.6
163.00478	0.5
164.00783	0.5
179.05626	1.8
183.04446	0.9
184.04874	1.8
186.06357	0.8
187.04048	0.6
191.05644	0.8
200.04469	0.6
201.05382	0.4
211.04042	2.1
212.04323	3.0
214.05727	0.5
227.03529	54.8
228.03865	69.7
229.05016	2.5
230.05353	2.8
239.03453	0.8
240.03885	0.5
255.02997	58.4
256.03357	96.1
257.04135	7.9
258.04834	0.7
284.03281	34.0
285.03683	75.9
286.04395	22.2
287.04556	0.5
328.05768	0.5
387.20172	0.7
388.20654	0.5
403.06866	0.4
430.23679	0.5
447.09393	9.3
448.09747	100.0
449.09940	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	447.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	19.7
59.01689	0.7
62.51559	0.4
62.96413	0.4
77.17037	0.4
84.74549	0.4
85.17371	0.4
86.24928	0.4
89.58089	0.4
91.16719	0.4
92.51833	0.4
117.03473	31.8
118.04202	0.5
121.02977	2.6
123.04504	0.8
133.02910	0.5
138.61790	0.5
145.02968	100.0
146.03178	0.4
162.03203	0.7
183.32556	0.4
194.26402	0.4
203.02872	0.4
410.11053	0.4
447.25476	89.8
448.25793	2.6
469.27283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83084	0.4
58.25914	0.5
59.01386	16.6
61.98837	3.6
65.27463	0.5
65.30425	0.5
81.34205	0.5
93.65868	0.6
102.80777	0.5
117.03471	30.4
121.02962	5.4
127.95781	0.6
145.02969	100.0
172.70480	0.6
185.39162	0.7
200.95360	0.6
447.25513	99.3
448.25879	1.2
462.11121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58360	0.1
59.01389	3.2
60.15184	0.2
97.24461	0.2
106.82857	0.2
117.03463	33.0
118.04226	0.8
119.05013	1.1
121.02949	4.2
123.04511	1.0
130.66296	0.2
133.02982	0.8
134.03664	0.2
145.02957	100.0
146.03337	1.3
147.04465	0.3
162.03241	0.4
163.03957	0.4
236.46075	0.2
247.70073	0.2
299.20151	0.7
443.58591	0.2
447.25452	88.2
448.25790	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	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06925	0.8
54.82795	0.9
55.98882	0.9
59.01386	100.0
59.85151	0.7
61.98854	5.5
71.01385	12.6
71.05077	0.8
73.02965	4.1
83.01413	0.8
85.02972	4.0
89.02452	15.8
92.61563	0.8
97.09739	0.7
101.02435	10.4
113.02477	7.8
119.03504	5.6
133.58572	0.9
134.60718	0.8
148.05333	1.4
151.00449	1.2
152.54626	0.7
161.04565	1.8
163.07675	1.3
172.30162	0.9
179.05606	3.6
211.13440	1.8
225.14987	66.7
285.04047	1.6
315.18158	1.6
387.19971	5.7
447.26276	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	447.2245
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
57.03453	4.4
59.01383	40.3
61.98829	3.7
69.03471	0.7
71.01389	7.0
73.02950	5.9
78.14190	0.4
83.01406	1.1
85.02965	3.4
89.02438	3.7
101.02451	4.3
109.02979	0.8
111.08192	0.5
111.26631	0.6
113.02493	2.9
119.03449	0.6
125.02457	2.2
131.03502	0.6
137.09760	1.0
151.00400	1.9
153.09274	0.5
155.10774	2.3
167.10727	0.9
181.12338	0.6
223.17088	11.7
225.05568	4.4
225.14990	100.0
226.15358	0.6
267.16080	2.8
285.04205	0.7
285.17099	70.1
289.07339	0.8
296.36304	0.6
315.18167	1.1
327.18210	1.0
387.20316	1.3
447.22195	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	447.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01384	87.5
59.94267	0.6
60.48903	0.6
61.97009	0.7
61.98832	2.8
65.19970	0.7
71.01395	0.8
78.95902	46.1
83.05046	0.7
92.10156	1.5
95.05058	0.8
96.96930	1.7
97.06590	0.8
97.29650	0.7
121.02960	0.8
122.71996	0.7
124.59721	0.7
149.00095	26.1
158.92503	0.9
159.15260	0.7
167.10826	7.1
173.11525	0.9
179.01132	3.5
200.59792	0.7
205.15973	1.2
291.33011	0.8
347.08807	0.9
355.88882	0.9
410.39539	0.7
431.10132	1.6
438.68484	0.8
447.13483	100.0
448.13736	1.2
460.80093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
51.66994	0.7
55.69482	0.8
56.03699	0.8
56.42836	0.8
56.77496	0.7
57.03437	1.3
59.01377	36.3
61.98827	23.9
67.44579	0.7
71.01373	26.8
71.01769	1.1
73.02934	14.7
73.84348	0.7
75.84143	0.9
81.20654	1.0
85.02950	1.9
89.02427	44.5
92.10145	1.4
92.78374	0.8
96.95988	14.4
99.00868	33.8
101.02430	16.3
113.02456	4.9
119.03493	1.5
123.04522	4.9
125.02399	7.7
131.03497	4.9
131.22861	1.0
135.04514	35.6
138.40520	0.8
139.49101	0.8
140.08855	0.9
149.04543	5.5
153.05608	1.4
161.02460	1.4
161.04579	0.9
172.14270	0.9
191.05653	8.8
315.10855	4.5
447.15088	100.0
448.15015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48533	1.1
55.01899	1.9
59.01384	100.0
60.16466	1.4
65.64585	1.4
68.73611	1.2
69.03454	2.2
71.01377	35.8
71.01719	2.0
72.99327	1.5
73.02943	79.4
83.01395	16.5
83.05034	3.4
85.02979	7.7
85.06611	1.3
89.02462	10.8
95.01454	1.5
99.08147	10.6
101.02443	52.4
113.02454	10.6
126.62501	1.3
143.03476	2.1
149.04575	2.2
161.04573	8.9
199.39027	1.6
206.24300	1.4
211.13461	7.4
255.71957	1.4
272.16196	1.3
297.45114	1.6
309.28174	1.5
403.19797	53.4
431.34967	1.6
434.10199	1.5
447.26270	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04235	0.3
59.01385	100.0
68.03839	0.3
69.03093	0.4
71.01383	4.8
73.02952	0.5
83.01406	0.4
85.02956	1.7
89.02436	3.7
89.81752	0.3
100.55988	0.3
101.02440	3.5
101.27419	0.3
113.02451	2.2
119.03458	1.6
129.16779	0.4
161.04573	2.9
166.31528	0.4
175.03976	0.4
179.05589	0.8
258.34210	0.4
284.03314	6.7
285.04117	8.0
362.27930	0.4
387.20337	10.7
388.21271	0.4
447.09506	4.1
447.22369	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60826	0.5
55.01881	0.9
57.03452	1.9
58.00586	0.9
59.01382	100.0
61.98841	1.0
71.01376	16.4
73.02941	5.6
74.70554	0.6
76.43398	0.7
83.01404	1.4
85.02947	5.5
89.02448	11.4
92.10055	0.8
96.67699	0.7
96.96003	1.5
99.04535	1.4
101.02429	11.1
113.02456	6.7
115.07685	3.8
116.26512	1.0
119.03513	4.1
133.02994	1.0
133.07664	0.7
134.07495	1.1
147.09055	0.8
149.09691	7.1
151.32220	0.8
153.09209	0.9
159.06613	4.6
161.04623	3.2
167.10780	8.3
205.12350	1.3
207.10339	1.9
223.13338	3.1
248.40691	0.8
264.55457	0.8
267.12369	6.1
299.05692	1.4
327.01477	0.9
327.05154	4.8
357.06186	3.1
357.19025	1.0
387.20273	8.2
447.09384	3.1
447.18640	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29269	0.3
56.34353	0.3
59.01376	12.5
65.00305	0.4
71.12913	0.3
83.01385	0.4
83.45124	0.3
85.02966	0.5
85.03547	0.3
89.02427	2.5
93.44154	0.3
99.68791	0.3
101.02467	1.4
107.01401	0.7
109.52658	0.3
113.02417	0.5
117.03448	0.3
119.03493	0.9
132.02115	0.6
151.00346	2.8
158.09969	0.4
169.06599	0.4
179.05664	1.4
183.04491	2.1
185.06039	0.5
187.04008	1.4
211.04050	2.2
227.03493	79.9
228.03848	1.5
229.05006	2.2
239.03592	0.4
255.02971	100.0
256.03693	7.1
257.04547	1.4
284.03244	67.9
285.04019	25.1
327.05078	1.5
387.20062	0.6
447.09348	73.0
448.09842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69151	0.3
53.75682	0.3
54.76637	0.3
56.99074	0.2
58.11355	0.3
59.01386	12.2
61.98855	2.1
65.00350	1.5
71.01408	1.4
73.02994	0.3
80.54043	0.3
83.01422	0.6
85.02981	0.6
87.00879	0.5
89.02488	0.6
96.96026	0.5
101.02477	0.7
102.26847	0.3
107.01389	2.6
121.02982	0.5
122.10938	0.4
125.09719	0.4
126.16879	0.4
131.20311	0.3
133.02945	9.2
133.03854	0.4
149.02460	2.3
151.00378	7.6
175.03943	3.1
197.06166	0.5
198.03305	0.4
199.04076	3.0
201.01952	0.5
217.05103	1.9
227.03493	1.7
229.05254	0.4
241.04893	0.6
243.03003	2.7
247.13252	0.7
255.03008	2.2
256.03879	2.9
257.04419	0.5
271.02448	3.3
284.03369	4.5
285.04077	100.0
286.04517	0.5
300.02893	1.7
301.03458	0.6
302.03363	0.6
303.04175	0.6
314.04318	0.8
331.10928	0.4
447.09360	21.7
447.22269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19841	0.4
56.65070	0.5
59.01387	13.0
63.65923	0.6
65.00449	0.5
69.03458	1.1
71.01382	12.1
72.99318	1.3
73.02966	4.1
75.00866	0.9
81.03474	1.2
83.01417	1.2
83.39687	0.5
85.02946	4.2
87.00859	1.1
89.02441	10.1
93.03405	0.6
95.01413	0.8
97.02960	1.9
99.00877	2.7
101.02470	1.1
105.01932	4.0
108.02183	54.5
109.02213	1.1
109.02963	35.5
113.02433	1.1
115.00393	1.3
115.04021	2.3
121.02970	0.7
121.32195	0.6
123.00865	0.7
125.02457	2.2
128.63078	0.6
133.01430	3.1
149.04565	0.5
151.04080	1.0
152.01169	80.5
153.01953	16.9
163.03993	1.1
165.01926	0.9
167.52963	0.5
255.05150	2.6
308.42221	0.7
316.90695	0.7
447.11505	100.0
448.11707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83300	0.5
57.38551	0.6
57.77200	0.6
58.32664	0.5
58.61616	0.5
59.01391	11.6
69.03486	2.2
71.01386	11.5
73.02953	2.6
81.03454	0.8
83.01401	1.5
84.01792	0.6
85.02959	1.5
89.02440	7.8
93.03484	0.9
95.01409	0.6
96.96024	1.2
97.02970	2.5
97.25674	0.5
99.00887	3.1
100.70770	0.6
101.02454	2.9
108.02190	48.4
109.02967	39.1
113.02439	0.6
115.04006	1.1
121.02917	0.8
125.02467	2.5
151.04007	0.8
152.01169	77.6
153.01956	20.4
163.03993	1.1
165.01851	0.9
181.10310	0.6
233.06715	1.0
314.81451	0.6
315.51389	0.6
393.37686	0.6
443.66583	0.7
447.11539	100.0
448.11462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	50.1
55.96230	1.3
57.03467	3.9
59.01385	39.1
61.98843	12.6
62.09492	1.4
65.48077	1.6
65.48492	1.6
68.99831	2.4
69.03463	2.4
70.98203	1.5
71.01387	13.2
71.05020	2.7
72.99311	23.6
73.02978	1.8
73.39880	1.7
75.00883	1.6
83.01389	100.0
83.01885	3.4
85.02933	14.3
89.02445	3.2
91.98537	1.7
93.03438	2.1
95.05035	2.3
96.95988	2.3
96.99329	2.3
97.06618	8.4
99.00906	2.4
99.98563	1.7
101.02442	7.3
101.06099	2.1
107.05062	2.9
109.06577	2.5
111.04524	4.2
113.02433	3.3
114.67401	1.7
121.02962	60.3
122.03757	2.5
123.04526	8.8
125.06084	87.5
127.00377	63.1
135.04468	2.1
137.02454	3.9
137.06094	3.6
138.18535	1.8
148.09087	1.9
150.03221	2.9
153.05577	3.1
155.70866	1.6
163.07648	7.7
165.05623	2.2
173.09698	2.2
177.02028	1.7
177.05531	7.5
179.07089	2.9
189.09097	2.1
191.07187	7.7
197.08226	16.3
209.08223	3.2
242.31824	1.8
281.10455	3.2
282.27972	1.8
285.20715	11.7
295.08392	17.0
325.09430	4.3
447.26227	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
59.01390	11.6
62.14142	0.3
63.02403	2.1
64.34840	0.3
65.00333	0.5
83.01369	1.4
89.02441	0.5
101.02450	0.3
107.01377	4.2
109.02887	0.4
113.02446	0.3
119.03526	0.4
124.81477	0.3
133.02942	6.8
134.03738	0.8
148.01656	0.5
149.02460	2.0
149.99661	0.4
151.00375	6.7
175.03964	2.2
185.06096	0.4
189.05611	0.4
199.03984	2.4
200.04712	0.7
211.04002	0.8
212.04897	0.5
217.05069	0.7
227.03471	2.2
239.03522	0.8
241.05072	0.5
255.03036	1.5
256.03815	6.2
265.25986	0.4
284.03287	74.2
285.04074	100.0
286.04367	0.6
327.04953	1.4
387.20242	0.7
447.09393	53.8
448.09366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82675	0.2
55.11111	0.2
55.86911	0.2
57.03478	0.2
57.55707	0.2
59.01384	4.2
61.98840	1.2
65.00327	0.9
71.01390	0.8
71.52701	0.2
73.02975	0.2
75.63312	0.2
78.15783	0.2
83.01395	0.4
89.02443	1.2
92.10744	0.4
94.94563	0.2
96.96028	0.3
101.02450	0.4
105.03461	0.3
107.01366	3.0
121.02930	0.9
127.70436	0.2
133.02946	12.1
139.22346	0.2
144.43040	0.2
149.02455	2.2
151.00372	8.1
175.04013	3.5
198.03189	0.4
199.04013	2.8
201.01923	1.5
204.26788	0.2
213.05573	0.3
215.03535	0.8
217.05135	1.9
227.03511	0.5
229.05133	0.4
241.05132	0.9
243.02924	2.2
255.03008	1.9
256.03781	3.3
257.04504	0.4
271.02533	4.2
284.03229	3.7
285.04071	100.0
286.04578	1.5
300.02798	4.5
301.03415	0.8
447.09406	19.2
447.22354	0.4
448.09372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	13.0
63.02384	0.5
65.33829	0.4
76.58257	0.4
82.79790	0.4
89.02489	0.5
92.16747	0.4
107.01415	0.5
116.54478	0.4
119.03495	0.4
134.19350	0.4
139.64767	0.4
143.04991	0.4
151.00392	2.1
161.04492	0.5
163.88637	0.4
177.38579	0.4
183.04460	2.1
185.06038	0.5
187.04037	0.5
211.03955	2.8
213.05600	1.0
227.03529	84.5
228.03944	0.9
229.04984	2.6
241.05081	0.6
255.03012	100.0
256.03802	8.6
257.04602	0.8
284.03284	80.0
285.04065	19.5
299.72580	0.5
327.05142	0.6
387.20358	0.7
447.09390	80.3
447.91653	0.5
448.10065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07259	0.8
59.01385	100.0
64.72742	1.0
88.91483	0.8
92.15320	0.9
96.19846	0.8
115.56442	1.0
127.24606	1.0
221.84091	1.2
472.11063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69238	0.5
52.02496	0.5
59.01387	100.0
61.98851	0.8
70.74487	0.7
116.15588	0.7
180.24316	0.7
194.58984	0.7
217.54869	0.7
256.20877	0.7
283.26382	1.5
330.14651	0.7
331.43030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98833	100.0
62.75817	0.4
71.01375	0.4
74.48479	0.4
79.40647	0.4
89.02436	0.7
96.96000	2.1
99.00885	0.7
103.00398	0.5
122.71571	0.4
128.19426	0.4
133.53957	0.4
135.04486	0.6
137.02370	0.5
155.24191	0.4
158.00049	0.5
169.70050	0.5
177.17433	0.5
307.11374	0.5
447.15085	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	446.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27208	0.2
59.01390	1.2
61.98835	100.0
64.54956	0.2
67.61898	0.2
71.01392	0.2
72.08037	0.2
85.81422	0.2
88.50041	0.2
95.74892	0.2
127.67471	0.2
136.80574	0.2
225.75157	0.2
230.60213	0.2
272.02829	0.2
291.19598	0.2
302.03928	0.3
305.67413	0.2
346.24036	0.2
446.08087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57347	0.1
57.03440	0.3
58.00599	0.2
59.01385	100.0
62.20993	0.2
63.02398	0.2
65.00331	0.7
67.86514	0.2
71.01385	4.5
72.99313	0.3
75.00868	1.0
75.27441	0.2
78.71080	0.2
83.01403	0.8
85.02960	1.1
87.00900	0.3
89.02441	5.6
90.08717	0.2
95.01413	0.3
96.96024	0.4
100.34160	0.2
101.02443	2.9
107.01383	2.3
108.02189	0.4
113.01794	0.2
113.02443	1.7
117.03429	0.4
119.03494	1.7
121.02985	0.7
124.01662	0.3
131.03464	0.3
133.02959	5.1
135.00891	0.2
143.03497	0.3
145.02933	1.8
149.02446	1.2
151.00371	4.9
161.04562	0.7
163.00334	0.4
163.03862	0.2
164.01141	0.4
171.04424	0.3
175.04007	1.6
178.99939	0.4
179.05666	1.9
191.05647	0.3
193.08810	0.2
199.04050	1.3
201.02003	0.5
207.13899	0.2
217.05107	0.4
226.02800	0.9
227.03604	1.4
241.05087	0.3
243.02959	5.3
243.05215	0.3
245.04346	0.3
254.02202	0.8
255.03027	6.2
257.04715	0.4
271.02533	17.5
272.03159	0.8
284.03268	1.8
285.04086	35.4
300.02802	19.8
301.03561	5.2
387.20016	0.3
436.69397	0.2
447.09338	14.6
447.22070	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81030	0.8
55.01888	3.7
57.03468	4.1
58.00619	1.0
59.01384	48.5
60.41053	0.8
63.36040	0.8
71.01382	19.4
71.91901	0.9
73.02943	82.7
83.05045	2.1
85.02972	6.6
85.92825	1.2
87.00970	1.0
87.04514	1.6
88.26904	1.0
89.02445	16.1
90.12249	1.1
97.06590	1.7
99.04535	4.5
101.02432	8.8
109.06601	1.1
112.50944	1.0
113.02458	9.8
119.03519	5.2
120.79027	0.9
135.04521	5.8
159.16241	0.9
165.12833	13.9
179.03561	1.4
179.05701	1.2
203.14488	1.9
205.12332	1.0
209.11856	26.2
221.15486	18.7
222.61588	1.0
223.13440	6.2
239.16595	7.9
265.14493	14.5
283.15543	100.0
301.03613	6.4
325.16562	1.6
345.03418	1.1
385.18811	8.1
445.20932	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.6
57.03461	0.6
59.01390	100.0
60.19913	0.5
65.26855	0.5
71.01387	21.8
73.02946	3.7
83.01424	2.5
85.02964	9.8
85.64993	0.4
87.00893	0.5
89.02442	14.6
91.70395	0.5
95.01361	2.0
97.02960	2.5
99.00880	0.9
101.02439	13.2
113.02448	10.1
113.06094	1.1
119.03518	4.1
123.08143	2.1
125.06103	1.8
125.22862	0.5
136.05243	0.8
137.06097	0.5
138.06868	11.5
139.07689	4.0
143.03467	1.0
151.07678	10.0
152.04758	0.6
152.08443	16.1
153.09222	53.2
159.02960	0.7
161.04570	10.6
163.11307	0.9
165.09109	0.8
179.05615	1.9
185.41901	0.5
189.09262	0.7
205.12357	16.7
223.13434	13.6
328.76764	0.5
385.18701	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23059	0.5
58.00628	0.7
58.84494	0.6
59.01385	100.0
65.31445	0.7
71.01382	15.8
85.02964	3.2
89.02441	21.7
95.01418	1.0
101.02462	7.2
113.02434	4.8
119.03497	5.6
161.04567	1.3
179.05574	5.7
210.13979	0.6
235.99138	0.6
255.03259	1.0
269.59607	0.7
271.02548	4.4
300.02719	4.3
301.03607	4.9
302.03284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65946	4.8
57.03481	5.8
59.01394	100.0
61.98846	10.3
65.89884	5.4
80.93985	5.9
90.75228	5.8
96.94674	6.9
113.06161	6.1
114.76725	5.9
123.08096	6.8
138.52762	6.2
155.40749	5.9
161.25793	6.9
162.53244	5.2
285.53235	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	445.2387
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
59.01384	9.9
64.56776	0.4
107.51235	0.5
117.03460	33.6
119.05021	1.1
121.02946	5.2
122.67023	0.6
123.04575	1.1
133.02991	0.7
145.02959	100.0
164.07764	0.6
172.90761	0.5
175.20485	0.6
185.67374	0.5
189.09029	0.5
199.00591	0.6
208.78204	0.6
231.47296	0.6
281.95074	0.5
361.15329	2.8
387.69116	0.6
429.21735	1.3
445.23907	87.3
446.24332	1.3
454.34097	0.7
459.27054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63019	1.3
57.03463	2.9
58.00620	1.5
59.01376	100.0
59.71706	1.5
61.98833	8.0
66.10733	1.5
71.01372	28.0
80.87495	1.7
85.02959	10.4
89.02427	26.7
95.01394	2.8
97.02956	1.8
101.02453	14.3
107.65418	1.5
113.02453	9.5
119.03488	10.7
128.34746	1.5
134.68562	1.6
137.02432	6.5
151.07651	1.9
161.04538	1.6
165.01917	4.0
179.05679	2.0
193.12332	8.4
199.09708	6.5
224.29790	1.9
265.18069	45.9
288.06412	2.0
366.09302	1.7
445.24472	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	445.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82187	1.2
54.82852	1.2
59.01392	97.6
59.44769	1.5
59.85250	1.1
69.55011	1.2
92.10738	2.9
129.96483	1.4
135.04532	45.8
150.06880	100.0
151.07666	21.0
237.21359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	2.6
58.25704	1.7
59.01380	100.0
59.08625	1.7
61.98829	11.8
71.01376	35.9
72.03899	2.4
72.99339	6.9
73.02952	20.5
83.01369	3.8
85.02963	11.9
86.89447	2.0
87.00888	13.5
87.04515	2.5
89.02441	26.7
90.92747	1.9
96.95997	33.8
101.02446	27.7
103.04009	4.0
113.02432	11.3
115.04001	8.1
119.03477	8.8
119.04973	21.1
128.95430	2.2
131.03470	10.9
137.05983	1.9
143.03479	9.8
145.04999	2.4
161.04520	2.4
163.06094	10.9
169.61108	2.0
195.06541	2.3
205.07231	14.5
221.08121	3.9
265.07285	3.5
299.11475	3.0
303.08109	2.0
353.67770	2.2
355.14053	5.0
445.17255	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56882	1.0
55.01871	1.4
59.01376	100.0
59.53854	0.9
61.98832	4.5
64.98541	1.1
67.68132	1.0
71.01373	29.6
85.02936	7.0
89.02430	31.1
91.05562	1.0
95.01373	2.5
96.96002	1.4
99.04510	1.2
101.02429	9.0
107.04975	1.1
109.06608	1.1
113.02435	12.0
119.03472	8.6
121.02978	1.1
123.08119	7.0
125.02392	2.2
133.10214	1.6
147.11685	1.5
148.50867	1.2
151.04027	5.2
159.11768	10.1
160.26201	1.3
161.04517	1.8
177.09233	2.0
177.12772	4.6
179.05585	5.7
191.63603	1.2
203.10738	17.3
221.11824	14.6
237.11273	2.4
247.09727	6.5
250.19489	1.2
265.10834	25.3
269.27783	1.1
298.76581	1.2
335.48828	1.1
393.13184	1.3
427.15881	2.8
445.20859	5.6
454.76358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56882	1.0
55.01871	1.4
59.01376	100.0
59.53854	0.9
61.98832	4.5
64.98541	1.1
67.68132	1.0
71.01373	29.6
85.02936	7.0
89.02430	31.1
91.05562	1.0
95.01373	2.5
96.96002	1.4
99.04510	1.2
101.02429	9.0
107.04975	1.1
109.06608	1.1
113.02435	12.0
119.03472	8.6
121.02978	1.1
123.08119	7.0
125.02392	2.2
133.10214	1.6
147.11685	1.5
148.50867	1.2
151.04027	5.2
159.11768	10.1
160.26201	1.3
161.04517	1.8
177.09233	2.0
177.12772	4.6
179.05585	5.7
191.63603	1.2
203.10738	17.3
221.11824	14.6
237.11273	2.4
247.09727	6.5
250.19489	1.2
265.10834	25.3
269.27783	1.1
298.76581	1.2
335.48828	1.1
393.13184	1.3
427.15881	2.8
445.20859	5.6
454.76358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52231	1.0
57.03211	1.6
57.03442	12.0
59.01385	100.0
61.98828	1.5
64.75211	1.0
71.01374	15.2
71.05039	5.0
73.02961	5.0
75.00864	1.5
83.01408	1.6
85.02959	6.7
85.06589	2.0
87.08224	1.1
89.02431	11.0
92.10117	1.5
97.02885	1.4
99.00894	2.5
101.02412	8.6
108.62466	1.0
113.02455	7.3
115.49646	1.2
119.03510	2.3
137.02461	2.0
141.07281	1.2
149.04567	2.7
161.04576	1.8
179.14417	6.4
205.12378	31.5
223.13431	77.0
247.13170	1.1
265.14365	1.6
283.15442	1.6
313.16595	2.8
332.87741	1.3
445.20828	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53706	0.8
54.83546	1.0
57.03453	19.6
59.01384	62.7
61.98844	1.3
71.01054	0.9
71.01377	7.9
73.02937	11.8
75.74032	0.8
85.02962	1.4
85.69712	1.1
89.02455	3.8
99.04470	2.8
101.02457	6.0
113.02467	4.1
118.68195	0.9
121.02982	1.5
149.90968	0.8
161.04596	1.9
179.14421	3.7
209.11807	4.3
221.15501	10.4
223.13429	51.0
239.16475	1.5
265.14566	2.0
283.15540	100.0
301.03427	1.3
385.18668	3.9
445.20859	11.5
460.63940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81256	0.5
59.01397	2.8
63.37333	0.4
72.59482	0.5
93.03501	0.5
96.96026	0.9
97.69540	0.6
117.66830	0.6
121.02972	9.7
135.04527	2.5
149.02454	85.6
152.01183	4.0
153.01865	0.6
163.03972	4.8
164.04805	87.4
165.01901	0.6
169.05112	1.1
174.20401	0.6
179.07143	27.8
185.68541	0.5
193.01433	10.9
208.03806	31.7
223.06152	100.0
265.07275	2.6
275.89157	0.6
283.08325	1.2
385.11572	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	445.1359
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
53.50079	1.0
55.01898	1.8
57.03450	1.3
58.00611	1.6
59.01389	100.0
61.98836	9.9
69.03467	11.5
69.37661	1.1
69.72958	1.2
71.01385	79.6
71.01772	2.7
72.99326	1.4
73.02951	16.4
75.00858	1.5
81.03487	6.0
83.01414	6.7
85.02949	10.9
86.31828	1.3
87.00906	2.1
89.02442	83.5
95.01373	1.7
96.96018	10.3
97.02942	16.7
99.00889	17.6
99.04556	2.4
101.02437	15.5
107.05034	28.9
107.05706	1.8
110.71545	1.3
113.02464	5.4
113.44086	1.3
115.04008	10.0
125.02448	39.7
125.03313	2.5
131.03510	5.2
143.03568	2.8
149.04550	10.1
151.04004	14.0
154.16338	1.3
161.04488	1.6
191.05653	6.4
233.06697	23.9
244.55914	1.4
271.43188	1.2
293.08847	22.6
445.13614	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20818	0.1
52.57305	0.1
59.01389	1.0
61.80847	0.2
71.01381	1.0
72.99316	0.3
73.02937	0.2
78.95898	0.9
79.67542	0.1
79.95741	1.7
85.02953	0.3
89.02473	0.6
91.06458	0.2
93.37880	0.2
96.96004	100.0
98.95595	0.2
103.03998	0.3
111.00893	0.2
117.01887	0.2
125.02461	0.2
129.01920	0.3
136.51445	0.2
168.89012	0.2
347.13550	0.3
445.12384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82994	1.0
57.03437	1.2
59.01374	43.8
61.98832	0.9
65.00322	2.2
71.01373	9.1
73.02937	8.0
83.01377	1.9
83.05026	1.0
85.02934	3.6
89.02444	6.7
93.22760	0.9
95.01418	1.1
96.96001	1.3
99.04550	0.9
100.04482	0.8
101.02410	6.5
107.01355	8.9
108.02173	4.5
109.02931	5.8
109.06622	0.8
113.02437	1.9
114.33246	0.9
119.01389	0.9
119.03496	2.2
121.02898	6.4
125.02440	4.5
135.00897	1.5
137.02487	1.3
148.01683	5.1
149.02394	1.0
149.99489	1.7
151.00365	25.0
151.07672	1.4
163.00348	10.0
164.01201	1.0
168.00639	3.6
178.99858	9.2
187.03917	1.5
199.04004	3.4
201.67447	0.8
203.03508	1.2
209.11906	1.5
211.04045	1.7
221.15517	1.3
223.13394	1.5
226.02681	3.7
227.03453	7.2
239.16515	1.5
243.02966	19.9
244.03693	1.0
245.04529	1.5
254.02162	4.6
255.02986	44.2
255.05638	1.5
265.10925	1.5
265.14270	1.2
271.02469	96.6
272.03006	3.8
273.03934	1.5
283.02377	1.8
283.15552	8.0
299.02106	1.7
300.02756	100.0
301.03534	99.5
301.74814	1.0
302.03571	1.6
385.18668	7.0
401.21817	3.6
411.62878	1.0
445.07791	48.5
445.20746	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	443.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51859	0.6
54.82524	0.6
57.03460	0.6
59.01388	100.0
59.69655	0.7
61.98833	1.3
68.07411	0.5
87.85206	0.6
88.74417	0.6
111.08162	0.8
116.88933	0.7
147.04575	1.5
196.14139	0.8
204.33284	0.8
206.90697	0.7
272.17343	0.8
355.54761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81115	0.9
54.83009	0.8
65.24486	1.0
67.31314	1.0
71.18839	1.0
75.55283	1.0
79.64496	1.2
84.37624	1.0
107.02046	1.0
109.72129	1.2
148.47603	1.2
159.08479	6.6
161.06482	1.4
203.51164	1.0
203.68571	1.1
264.21558	1.2
277.07590	1.9
327.65167	1.1
357.13974	1.5
359.15454	100.0
381.66602	1.0
427.15921	1.5
427.21677	45.6
443.24936	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29019	0.5
56.58783	0.6
57.03461	0.6
59.01386	3.0
64.48125	0.5
64.48485	0.6
89.02448	0.8
91.04021	0.6
117.03458	3.4
119.05069	0.7
145.02969	12.7
297.24347	0.9
305.28485	1.3
307.30103	100.0
308.30475	0.9
324.54050	0.6
325.31134	1.2
351.29099	40.5
352.29544	0.7
358.48022	0.6
369.30148	75.3
443.28351	2.9
443.33826	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3384
Annotation	oscr#34
Peak:m/z	Relative Intensity
52.42519	0.4
57.03460	0.8
59.01385	3.7
63.68553	0.6
91.04002	2.0
92.10121	1.1
121.11943	0.5
140.78746	0.6
153.41461	0.6
162.45845	0.5
166.48772	0.4
181.20741	0.6
184.02150	0.6
237.07971	0.6
305.28549	2.0
307.30099	100.0
308.30450	0.9
325.31287	1.3
351.29095	35.2
356.54761	0.6
362.02496	0.6
369.30139	79.8
370.30374	1.1
443.33823	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13339	0.7
57.03455	7.2
59.01383	100.0
62.18716	0.6
70.77438	0.6
71.01380	5.3
71.05031	1.7
85.02954	2.8
89.02454	3.6
101.02450	3.5
112.21088	0.7
113.02441	5.3
119.03484	3.9
132.83214	0.7
135.00900	1.2
153.01846	0.8
161.04459	0.7
161.09720	4.4
175.11333	1.5
177.09238	7.8
177.12849	29.5
188.08418	5.7
203.10782	29.5
221.11842	97.4
223.11601	3.8
319.68790	0.7
434.94308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.0
58.00604	1.5
59.01385	100.0
61.76754	0.8
63.90267	0.6
69.89639	0.7
71.01382	37.3
71.01770	1.3
72.89734	0.8
72.99321	1.8
76.91430	0.8
78.38978	0.8
84.58022	0.8
85.02952	6.1
87.00898	0.9
89.02442	51.3
93.03487	1.0
95.01405	3.2
98.95602	1.1
101.02453	13.5
106.26035	0.7
113.02460	15.0
119.03503	17.5
123.04521	3.5
125.02457	0.9
125.28647	0.8
131.03535	1.3
143.03468	3.2
149.04604	1.2
161.04572	3.2
163.54306	0.8
169.23434	0.8
179.05606	16.8
190.92068	0.8
195.59303	0.8
203.10689	1.2
252.72417	1.0
267.73285	0.8
324.19891	0.8
333.08322	1.0
371.07199	0.9
396.54968	0.9
443.11020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30864	0.6
58.15329	0.7
59.01385	24.3
60.99313	16.9
69.61835	0.6
71.01402	4.1
72.97558	0.7
72.99304	0.9
74.41763	0.8
79.29480	0.8
83.01386	0.8
85.02957	5.4
87.00886	3.3
88.97038	1.3
88.98803	100.0
89.02464	3.4
91.36093	0.8
93.03458	1.5
96.96023	5.2
98.94540	0.7
101.02479	1.4
112.97349	0.8
113.02481	0.8
119.03528	1.0
128.96042	0.8
133.02986	0.9
135.04538	1.2
136.03430	0.7
142.54091	0.8
151.00429	1.4
160.01688	4.6
161.02388	2.7
171.24661	0.7
173.04628	0.9
175.04047	4.9
177.05490	1.2
179.03552	1.0
180.91592	0.7
191.05626	87.9
193.54591	0.8
219.10352	0.8
245.04527	8.2
353.08759	10.7
355.10608	1.8
407.09671	1.0
433.68674	0.8
434.48355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.16516	0.7
55.01871	4.9
56.41856	0.7
57.03448	1.6
59.01376	53.8
59.89205	0.8
61.98653	0.8
63.02123	0.8
68.91806	0.8
71.01369	28.7
72.99337	1.1
73.02924	6.4
78.79429	1.1
83.01393	4.5
85.02944	10.7
87.00858	1.0
89.02425	17.4
93.82452	0.9
95.01370	2.0
101.02422	17.9
109.43408	0.9
113.02442	10.0
113.03121	0.9
119.03444	7.2
149.04509	0.9
160.97015	0.9
161.04597	1.0
178.06075	0.9
224.95648	0.8
443.19241	100.0
444.19226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	3.7
57.03461	2.8
59.01394	100.0
66.68694	0.5
69.67680	0.5
71.01389	24.8
72.99302	1.1
73.02951	13.5
82.95412	1.0
83.01390	8.8
85.02959	15.0
86.00126	0.6
87.00879	1.0
89.02456	3.2
93.22792	0.6
93.95869	0.5
95.01389	2.2
99.00890	5.2
101.02447	41.0
113.02457	14.3
125.02427	0.9
129.01926	1.1
131.03505	23.3
159.02974	3.3
161.04576	10.2
179.52034	0.6
180.04955	0.6
243.06635	1.1
249.13460	78.5
381.17709	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	441.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.6
59.01387	100.0
61.98836	12.0
69.08215	8.6
69.70932	9.7
70.43921	9.0
72.10978	8.2
91.20175	9.7
191.14459	24.3
216.19583	11.9
269.07596	10.0
397.80060	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27766	3.0
56.41943	3.4
57.72933	3.3
59.01384	100.0
61.98836	20.3
65.12531	3.5
79.41566	3.2
86.77553	3.5
87.57236	3.3
137.03508	3.7
162.82477	3.9
174.99173	3.8
217.00394	5.1
262.97845	3.8
309.24203	3.5
375.71310	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	441.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03490	6.3
59.01394	100.0
60.56314	6.4
61.98843	15.0
62.36166	6.3
62.55889	5.1
64.91958	6.8
85.99400	7.3
90.72398	6.8
92.10178	20.9
110.28408	6.5
149.06035	8.4
162.04247	7.3
188.58884	7.0
217.00349	11.2
238.69563	7.4
244.19571	6.9
256.59906	7.4
262.71915	7.4
266.03787	6.6
322.57034	7.1
326.35611	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	441.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34055	8.0
59.01154	9.6
59.01389	100.0
59.12976	8.4
59.90342	8.2
61.98846	40.0
68.05972	8.8
75.37425	9.6
82.16624	9.5
104.14955	10.7
129.11469	9.1
134.09691	10.3
150.29715	10.2
280.86368	9.7
450.67160	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	443.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19248	0.7
59.01384	22.9
60.99314	17.1
71.01378	6.0
72.99345	1.0
85.02972	4.9
87.00888	3.5
88.98803	100.0
89.02454	3.8
93.03466	1.7
96.96035	4.9
101.02436	1.6
104.19570	0.7
113.02487	1.1
119.03472	0.8
133.02979	1.4
134.03703	0.9
135.04553	1.5
160.01685	3.1
171.02951	0.9
175.04030	3.2
179.03539	1.0
191.05630	88.7
193.05078	0.9
196.10535	0.8
201.87538	0.7
245.04527	4.9
261.11874	0.9
345.97705	0.9
353.08768	10.2
355.10574	1.0
390.97525	0.9
404.38669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1893
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
56.11909	4.9
56.31097	5.2
59.01381	14.4
67.36260	5.6
67.82757	5.2
71.01353	9.4
75.03856	5.6
89.02430	7.6
95.24377	5.9
99.00896	6.5
101.98624	6.9
117.94876	5.8
150.83133	6.2
154.78033	6.4
381.17505	7.3
441.18845	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	441.19
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
54.79469	6.8
56.71101	6.1
59.01387	8.3
96.95999	41.4
105.15876	6.8
210.13673	7.3
250.73808	8.2
275.75723	7.2
441.18964	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	441.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.1
59.01394	18.1
70.46231	3.3
71.01385	6.6
72.99334	3.2
88.98837	4.2
89.02434	4.9
92.10741	6.0
96.96001	100.0
96.96587	3.9
97.39392	2.7
98.95592	53.9
98.96268	3.7
98.96467	4.0
101.02473	3.4
105.98252	3.1
108.02187	3.3
110.03270	2.8
115.92062	3.4
116.92932	4.4
123.04535	4.9
123.36555	3.0
125.02433	35.5
126.87397	3.2
151.03967	5.3
152.01205	3.7
161.02470	4.6
167.03484	6.5
177.01874	6.0
208.03825	3.3
223.06177	4.0
243.02994	4.1
292.38235	3.0
349.36600	2.8
381.17667	4.3
403.12457	4.5
441.18945	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	4.2
57.03466	3.5
58.00600	1.0
59.01385	100.0
71.01381	29.5
72.99326	3.9
73.02946	15.5
83.01392	8.3
83.05035	1.0
85.02960	18.6
85.34402	0.7
87.00922	1.0
89.02459	3.8
95.01369	3.1
96.96024	3.7
97.02988	1.3
97.28933	0.6
99.00860	5.5
101.02441	34.5
101.03084	1.3
113.02454	17.2
114.55877	0.7
116.92860	0.8
119.03493	0.9
125.02460	4.6
125.98793	0.6
131.03511	23.9
141.01892	1.1
143.03595	1.3
159.03027	3.1
161.04558	15.2
170.62578	0.7
202.10068	1.3
217.12285	1.4
230.91786	0.7
237.58408	0.7
249.13455	80.9
250.13858	0.8
264.04874	0.8
334.94241	0.7
359.60349	0.8
381.17755	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10757	1.1
95.57329	0.5
105.05021	0.5
145.10576	100.0
164.03036	3.5
167.45421	0.5
196.02016	2.5
236.23354	0.6
277.16489	0.6
278.17105	0.8
295.17422	0.8
310.16074	5.9
439.27133	1.2
452.65579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37150	0.2
57.03450	1.0
59.01384	1.8
71.01387	1.4
72.99292	0.2
73.02954	0.3
79.67006	0.2
79.95746	1.3
83.04993	0.3
85.02959	0.4
89.02445	1.6
89.38417	0.2
96.96010	100.0
98.95598	1.4
98.96446	0.3
99.00897	0.4
99.04488	1.0
101.02454	1.7
113.02472	0.4
119.03533	0.3
147.06638	0.9
161.04512	1.2
177.02002	0.3
185.63875	0.3
194.48485	0.2
220.95416	0.2
286.73831	0.2
343.10324	2.6
351.91940	0.2
381.13745	0.3
441.16342	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	441.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37150	0.2
57.03450	1.0
59.01384	1.8
71.01387	1.4
72.99292	0.2
73.02954	0.3
79.67006	0.2
79.95746	1.3
83.04993	0.3
85.02959	0.4
89.02445	1.6
89.38417	0.2
96.96010	100.0
98.95598	1.4
98.96446	0.3
99.00897	0.4
99.04488	1.0
101.02454	1.7
113.02472	0.4
119.03533	0.3
147.06638	0.9
161.04512	1.2
177.02002	0.3
185.63875	0.3
194.48485	0.2
220.95416	0.2
286.73831	0.2
343.10324	2.6
351.91940	0.2
381.13745	0.3
441.16342	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	441.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22437	0.8
54.82713	0.9
59.01402	1.2
79.95721	33.6
91.02372	1.0
95.95210	29.1
96.95995	100.0
110.97547	9.5
112.09270	0.9
115.73182	1.0
136.99129	11.3
165.05592	1.6
167.00182	64.1
176.08420	4.6
194.19188	1.0
259.02701	1.3
303.05270	1.4
423.57791	1.0
426.10007	2.2
441.12280	94.3
442.12360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86613	0.5
53.38398	0.5
53.59690	0.5
59.01383	100.0
67.14173	0.6
71.01403	2.8
74.99407	0.6
88.52885	0.6
89.02453	1.3
91.97791	0.5
96.96000	10.9
99.00948	0.6
101.00945	0.7
101.21021	0.6
102.98892	1.2
104.68679	0.6
117.00457	3.6
122.07880	0.6
123.36338	0.6
137.06097	3.3
141.00539	2.6
141.01703	39.3
153.00394	0.8
155.02083	0.8
158.89330	1.0
180.00787	0.7
183.01447	1.5
211.77176	0.7
243.03561	3.2
319.75790	0.7
321.08386	1.2
381.10410	9.5
441.00549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.4
57.03458	8.9
57.63374	1.2
59.01386	71.4
71.01381	27.2
71.43262	1.4
72.99299	1.7
73.02943	2.0
79.95732	3.6
81.03461	1.5
83.01383	2.4
83.05042	2.2
85.02954	9.7
89.02445	25.4
93.03500	1.6
95.05067	1.6
95.95247	2.1
96.96018	20.8
97.06581	2.7
99.04520	1.5
101.02441	13.8
109.02940	1.5
113.02460	8.6
119.03497	8.7
120.46237	1.2
121.06610	7.9
125.06052	2.3
135.08167	1.6
136.05353	2.0
136.91623	1.7
139.07640	3.0
139.11316	2.0
147.11807	2.1
151.07689	17.7
151.11288	3.2
158.07303	1.5
161.04521	1.9
167.00179	8.2
167.07176	5.4
169.08705	2.6
173.09648	6.4
175.07617	2.4
179.05595	9.7
179.07133	6.2
179.10838	2.8
181.12500	1.8
183.10422	1.4
184.08946	11.6
187.07701	1.7
187.11354	4.6
189.12862	13.4
199.11319	11.2
201.09204	8.4
202.10025	6.7
215.10805	6.3
217.12370	45.5
225.11249	3.0
235.13571	11.2
243.12381	12.8
244.52942	1.4
261.11462	2.5
279.12308	1.8
320.88501	1.6
395.19260	2.4
398.26544	1.8
405.17612	3.2
441.12390	11.9
441.17734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24456	24.0
54.30609	22.2
59.01382	28.0
62.42784	20.9
72.99678	26.8
82.87804	24.7
91.79519	24.9
92.65590	23.4
107.14758	24.1
149.09760	100.0
160.84239	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	439.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23124	13.5
58.29869	13.8
59.01392	100.0
72.84011	15.2
77.10567	15.8
79.82983	16.7
88.17728	16.1
129.30522	16.9
132.81622	16.8
167.10837	20.9
167.93073	17.1
234.34918	17.1
454.57977	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	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01379	5.1
60.81956	0.4
61.98831	2.2
69.03459	0.5
71.01358	0.7
83.05003	1.2
83.83032	0.6
85.02953	0.6
89.02452	0.7
89.87118	0.6
96.95998	12.2
96.96942	0.6
99.04507	51.3
111.15239	0.5
124.81098	0.5
125.09666	5.6
132.38849	0.5
169.08687	100.0
215.10835	0.7
217.68909	0.5
218.89471	0.6
219.71948	0.5
332.79718	0.6
379.22980	0.8
439.10260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85023	0.3
54.86850	0.3
59.01379	0.4
79.95741	28.6
87.32928	0.4
88.98795	0.3
92.10862	0.7
95.95201	0.7
96.96011	100.0
109.96776	0.5
110.97578	1.9
116.56399	0.3
124.72520	0.3
136.99088	0.4
141.95740	1.6
163.72556	0.3
167.00177	0.5
299.09042	0.5
313.10684	0.7
344.12454	1.3
391.47421	0.4
424.08615	0.5
427.95407	0.4
439.10730	51.9
440.10977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1072
Annotation	Hallactone B
Peak:m/z	Relative Intensity
59.01382	2.2
79.95748	46.8
80.96532	0.6
92.10133	0.6
95.95243	13.8
96.96018	100.0
103.09667	0.6
107.77917	0.5
109.96751	0.9
110.97590	8.8
122.27639	0.5
125.09740	1.0
137.02457	3.4
140.06335	0.5
141.95796	2.0
147.56165	0.5
149.99937	1.1
169.08730	1.0
177.05591	0.8
210.62552	0.5
259.02728	2.2
299.09256	0.6
314.11658	2.5
329.14081	1.8
409.09766	2.1
424.08371	2.6
439.10751	76.9
440.11194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83715	0.6
55.01890	0.7
56.40887	0.6
57.82248	0.7
59.01387	100.0
59.27374	0.6
60.42035	0.6
61.31740	0.6
71.01384	21.2
72.99339	0.8
73.02954	1.6
82.34391	0.7
83.01363	1.0
85.02948	7.4
87.00861	0.8
89.02448	34.9
93.04610	0.7
94.95634	0.7
95.01412	1.2
99.00887	1.3
101.02449	16.5
113.02495	8.4
114.39851	0.8
119.03514	11.2
131.03499	22.3
131.41554	0.8
139.98679	0.7
143.03511	1.5
149.04568	9.2
156.20306	0.8
161.04520	1.8
161.70862	0.7
179.05647	10.2
191.05629	4.9
247.11876	9.0
308.94763	0.8
379.16217	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	439.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.9
57.03457	2.0
57.26658	0.9
58.00616	2.1
59.01394	92.0
69.03476	1.3
71.01387	55.3
72.99325	1.6
73.02959	19.0
83.01420	4.3
85.02959	9.6
85.75253	0.9
87.00899	2.0
88.98837	1.3
89.02448	100.0
91.05553	1.5
92.10114	3.0
93.03494	1.9
93.65939	0.9
95.01379	1.9
96.96043	2.2
97.02986	2.5
99.00885	26.1
99.04561	1.1
101.02441	35.3
109.02979	1.4
113.02464	18.3
113.53952	1.0
119.03510	17.0
123.95206	1.0
125.02468	6.0
130.27966	1.0
131.03516	11.1
131.05031	1.0
143.03520	1.7
149.04579	27.3
149.06096	4.5
152.01151	1.2
161.04582	4.7
179.05673	3.9
190.00937	1.5
191.05608	13.2
217.05217	8.4
221.06718	1.9
224.16643	1.1
233.06775	1.1
247.11913	2.0
251.07681	4.1
269.04987	1.1
328.06851	1.1
335.19183	1.0
367.24683	1.1
379.16156	89.4
439.10617	12.6
439.17871	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	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.4
57.03466	4.4
57.58506	0.7
58.00601	0.6
59.01392	93.9
71.01391	32.4
72.99337	1.6
73.02948	9.7
78.95882	0.6
79.32201	0.7
79.95733	0.8
83.01385	5.7
85.02962	18.5
87.00896	3.3
88.98803	1.6
89.02452	9.2
92.50799	0.7
95.01395	1.0
96.96008	100.0
99.00897	5.6
99.01449	0.7
101.02448	28.2
107.03652	0.7
113.02457	15.3
119.03503	2.9
123.04500	1.1
125.02428	6.9
127.26754	0.6
131.03510	26.6
133.02863	0.7
135.04539	3.8
151.03970	1.4
159.03032	3.6
161.02486	5.0
161.04564	18.6
167.03516	0.7
177.01907	1.2
179.03502	3.1
213.55086	0.8
224.89476	0.8
234.94292	0.7
245.69768	0.7
247.11894	45.9
248.09235	0.7
275.60107	0.7
289.07056	1.0
302.97574	0.7
341.09009	1.2
379.16156	25.4
439.16776	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	439.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	100.0
61.98840	14.1
66.29821	12.6
66.85210	15.7
82.10960	14.2
95.47776	13.9
121.12504	15.1
135.06841	14.4
148.12946	15.0
177.01898	16.9
221.55911	14.8
275.41348	15.6
301.61450	15.0
407.94635	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	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82969	0.2
56.78764	0.2
61.42725	0.2
62.96428	0.3
74.02065	0.2
78.95901	51.7
79.95731	0.5
81.83945	0.3
88.09036	0.2
96.96001	43.9
96.96951	100.0
119.17397	0.2
123.66669	0.3
140.61136	0.2
307.05746	0.3
439.08844	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	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82969	0.2
56.78764	0.2
61.42725	0.2
62.96428	0.3
74.02065	0.2
78.95901	51.7
79.95731	0.5
81.83945	0.3
88.09036	0.2
96.96001	43.9
96.96951	100.0
119.17397	0.2
123.66669	0.3
140.61136	0.2
307.05746	0.3
439.08844	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	439.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.8
59.01389	7.3
69.14588	1.5
71.01382	9.7
84.95145	3.2
85.02946	3.9
88.98811	1.6
89.02452	2.9
91.05543	2.8
93.03446	12.3
95.01402	1.8
96.96012	84.5
98.51276	1.8
98.95595	19.2
98.96418	2.8
99.04521	2.7
102.20158	1.5
109.02962	9.2
111.04520	6.9
113.02368	1.4
115.00357	13.4
115.05530	2.5
115.71817	1.8
116.92872	1.8
125.02439	7.1
131.05058	11.5
133.01434	19.6
133.06612	8.6
137.02441	8.3
149.06113	32.2
156.89490	3.0
157.84163	1.6
173.04572	8.1
175.05682	6.5
176.40700	1.7
177.05533	3.7
191.05624	30.1
191.15134	1.6
199.04198	11.2
217.05267	57.3
237.13834	1.9
315.39224	1.8
328.48627	1.7
349.11072	7.4
377.10553	6.9
379.16165	3.8
392.05521	1.6
439.10599	100.0
456.74579	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	437.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
72.24841	0.3
78.37625	0.4
93.53814	0.4
93.78950	0.4
120.44231	0.4
147.85484	0.5
167.10783	100.0
168.11203	0.8
185.13692	0.4
247.13388	0.6
348.02167	0.4
400.80463	0.4
409.73346	0.4
456.52780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63189	0.2
59.01384	3.0
62.03903	0.2
66.10623	0.2
66.98628	0.2
92.85903	0.3
101.65694	0.3
123.08131	0.3
140.98138	0.3
163.11229	0.3
167.10779	100.0
168.11121	1.8
185.08276	0.3
195.93307	0.3
272.31357	0.4
315.17685	0.3
333.62134	0.3
356.77216	0.3
366.00195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24775	0.2
51.65121	0.2
54.82519	0.2
54.96480	0.2
57.03449	0.4
59.01382	4.9
65.76798	0.2
69.03455	0.3
72.09067	0.2
77.45523	0.3
77.50843	0.2
131.48158	0.3
141.09248	0.4
142.12996	0.3
143.45776	0.3
158.60254	0.3
159.57294	0.3
167.10765	100.0
168.11105	1.5
169.08694	0.4
185.08197	0.3
223.14346	0.2
225.14859	0.3
233.15315	0.4
269.17566	0.6
312.33337	0.3
315.29977	0.3
437.29584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43731	0.2
57.03460	0.5
59.01388	5.2
61.98843	0.3
69.03427	0.2
71.05033	0.3
73.02968	0.2
81.03484	0.2
83.05048	1.0
85.02970	0.2
85.06612	0.3
85.88660	0.2
90.35365	0.2
95.11979	0.2
97.06582	0.2
99.04534	0.3
101.06072	0.2
107.05057	0.3
109.06574	0.3
113.06078	0.2
121.06611	0.2
123.08183	0.9
124.05235	0.3
137.09720	0.3
141.09204	0.3
152.60497	0.2
162.29346	0.2
163.11304	0.8
163.46661	0.2
167.10791	100.0
168.11151	1.4
169.08728	0.5
179.65118	0.2
185.08165	0.4
233.15404	0.2
269.17654	0.4
347.65186	0.2
363.02408	0.2
437.24557	0.5
437.29788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01104	0.6
59.01385	11.1
61.98805	0.3
73.02921	0.3
83.05038	1.2
92.10796	0.6
93.82007	0.3
95.05038	0.4
97.06580	0.7
101.06081	0.3
107.05033	0.4
109.06611	0.3
123.08194	0.6
133.90601	0.3
141.09236	1.7
163.11293	1.8
167.10780	100.0
168.11108	2.7
169.08737	0.4
169.86319	0.3
185.08116	2.1
185.11911	0.4
186.95354	0.3
191.14342	0.5
350.15625	0.3
365.71457	0.3
377.23566	0.3
437.29749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30104	0.9
57.03467	5.4
59.01384	55.0
61.98849	1.0
64.34738	1.1
67.45570	1.0
69.03471	1.5
71.01369	1.3
71.05029	1.5
73.02972	4.6
80.67903	1.0
81.03485	1.1
82.03036	1.1
82.04350	1.2
83.05048	4.4
94.04259	4.2
95.05029	4.9
96.72226	0.9
97.06594	6.6
98.03760	1.2
98.58743	1.1
107.05037	1.7
109.06616	1.1
109.99889	1.0
111.08171	2.4
113.06074	1.3
115.47883	1.1
121.06671	1.0
123.08190	6.5
125.09771	1.3
135.08174	2.4
137.09718	37.6
139.11295	100.0
151.11272	1.3
155.07210	1.9
157.12340	9.5
167.10802	5.3
169.12370	6.2
177.12900	1.6
185.11836	1.1
189.12981	1.3
193.16035	1.2
201.11351	49.4
203.14430	5.2
205.12479	1.3
205.15997	17.6
207.13957	6.7
223.17017	4.4
249.14981	2.4
251.16544	1.1
255.31274	1.1
356.93109	1.4
420.45560	1.2
437.29224	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14318	0.6
57.03459	3.0
59.01378	5.1
60.23236	0.6
60.64774	0.6
61.15328	0.6
61.98828	1.2
69.03461	1.6
73.02962	0.6
78.16582	0.7
84.91959	0.7
85.06608	5.6
88.42963	0.7
94.04208	1.1
96.95994	0.8
97.06620	1.4
117.78510	0.7
120.34679	0.7
121.06671	0.7
121.10185	1.4
137.09747	6.0
137.10626	0.8
139.11278	19.5
165.09183	10.6
183.10254	100.0
299.75552	0.8
437.21735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
65.07567	13.3
76.64119	14.3
92.37930	12.7
101.90748	13.2
241.97069	15.0
358.20691	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	437.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08399	12.0
59.01138	13.1
59.01373	100.0
59.21492	11.6
79.02168	12.9
86.18707	12.6
134.42355	14.3
146.45039	14.6
163.65869	14.5
196.23584	14.5
218.43663	13.6
274.64893	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	439.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38864	0.2
78.95902	25.9
78.98999	0.2
79.89044	0.3
79.95744	1.6
82.19597	0.3
85.85941	0.3
96.96014	100.0
96.96963	48.8
100.21655	0.3
162.86453	0.3
165.80305	0.3
188.88403	0.3
196.58897	0.3
243.30537	0.3
439.08936	0.5
463.96872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03461	1.3
59.01385	100.0
70.62391	0.5
71.01371	4.9
73.02955	0.7
74.42897	0.5
78.62838	0.7
85.02991	1.3
88.98830	2.1
89.02444	2.3
96.96030	1.1
101.02446	2.7
113.02438	1.1
116.92853	0.9
121.02941	1.0
123.08178	6.6
125.02467	6.1
149.09752	1.2
161.04588	2.6
161.31088	0.5
176.24007	0.5
215.12825	1.0
237.11331	6.9
239.05602	1.1
257.17606	0.9
303.72720	0.5
323.37466	0.6
356.49652	0.6
377.18207	0.9
416.98520	0.6
437.23849	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	437.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
59.01386	100.0
68.18129	0.9
69.03460	1.6
71.05022	0.9
73.02977	1.3
78.84724	1.0
83.05049	1.2
94.02080	1.0
97.06573	2.0
99.04528	0.9
101.06129	1.5
101.06922	0.9
123.08154	1.7
137.09723	4.9
139.07658	0.8
139.11247	5.1
141.09218	2.1
141.34834	1.0
144.26904	0.9
167.10809	5.4
169.08717	1.0
169.12347	1.1
183.10234	1.2
290.22034	1.0
340.31870	0.9
437.29361	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	437.2314
Annotation	CHEBI:67692
Peak:m/z	Relative Intensity
50.78504	9.2
51.54506	11.7
51.94373	12.7
52.24993	10.0
53.22347	11.3
56.61201	10.8
59.01397	48.4
60.11149	12.2
74.51718	11.6
81.67416	10.8
83.22539	12.2
216.24925	12.9
239.16434	100.0
404.73965	14.7
437.23322	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03167	0.6
57.03448	0.7
58.68209	0.6
59.01386	100.0
61.98816	0.6
71.01398	0.8
73.02959	0.6
82.13158	0.6
83.05061	0.9
109.07702	0.7
111.04536	0.8
111.08137	0.7
114.40231	0.9
137.09720	1.3
139.11313	5.4
157.12379	0.9
167.10750	0.7
196.12132	0.7
201.11366	1.3
275.36905	0.8
300.02087	0.7
319.91626	0.8
420.82169	0.7
437.29135	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	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38884	0.3
56.06054	0.3
59.01395	5.4
61.98842	0.8
69.03467	1.6
71.01411	0.7
71.05051	0.6
80.05489	0.4
88.37047	0.4
96.96014	0.5
97.06600	4.8
100.02549	0.4
105.42504	0.4
111.08157	2.6
122.36284	0.4
123.08200	0.4
134.86534	0.6
137.09741	2.2
139.11305	2.6
141.25861	0.4
151.00391	0.5
153.09221	1.5
183.10275	100.0
184.10597	0.6
198.30316	0.4
215.12962	0.8
253.14336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82808	0.3
57.03450	0.4
59.01372	2.3
62.28623	0.3
64.23403	0.3
71.01403	0.3
76.04839	0.3
127.07564	0.4
167.10783	100.0
170.12036	0.4
259.01776	0.3
304.45105	0.3
309.33002	0.3
435.27530	1.5
448.46677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08902	0.2
59.01380	0.5
60.21590	0.2
62.67260	0.2
64.68764	0.2
77.90158	0.2
89.15307	0.3
92.10157	0.4
96.30568	0.3
107.73670	0.2
109.85497	0.3
124.63014	0.2
167.10780	100.0
168.11145	1.0
202.49663	0.3
220.88867	0.3
435.19360	0.3
435.27878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31345	0.1
53.53234	0.1
67.20794	0.1
68.56461	0.1
73.74386	0.2
77.50844	0.2
78.95907	2.4
79.95751	1.9
82.82693	0.2
91.95572	0.2
94.60977	0.2
96.96009	100.0
96.96893	4.6
168.62044	0.2
205.68988	0.2
237.50748	0.2
263.89423	0.2
367.17166	0.2
380.16852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59152	1.0
53.98450	0.9
59.01389	5.1
63.30156	0.9
76.57594	1.2
79.34396	0.9
82.95447	6.7
85.02952	1.4
92.10149	1.5
96.96021	19.1
98.95609	25.5
98.96445	4.7
99.92593	12.7
100.93369	13.6
115.92084	100.0
116.59268	1.0
116.92095	2.1
116.92863	44.9
117.03421	1.8
119.05026	39.1
120.34238	1.0
123.04577	1.4
128.75082	1.2
142.94418	3.8
145.02937	9.0
152.07961	1.1
163.04036	21.0
167.03526	3.9
191.05634	21.5
201.11407	1.2
202.29784	1.1
210.97113	10.6
228.98106	19.1
234.97107	1.4
246.97061	4.6
262.96613	1.4
278.96149	1.4
291.08862	6.4
342.45450	1.3
357.00751	3.8
375.01840	7.3
407.00858	11.4
437.12650	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	437.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70921	6.9
50.92776	6.9
59.01394	57.7
63.71183	7.7
68.18777	8.4
73.86831	7.9
82.22915	7.6
117.60816	8.1
122.31411	8.3
124.73257	9.7
179.88805	8.5
196.13652	8.4
219.95087	8.9
239.16536	100.0
283.19162	10.8
291.38254	8.5
300.43658	8.8
328.19016	10.5
437.23325	66.3
450.71725	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	435.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06241	3.3
55.01884	3.0
57.03468	3.4
59.01387	100.0
59.31519	3.0
61.98840	4.5
71.01390	6.1
92.10174	10.8
93.03497	16.5
101.02419	4.5
107.01432	3.4
108.16238	3.4
109.02976	18.3
113.02526	4.6
115.56139	4.2
123.04551	14.6
125.02438	6.7
128.21799	3.7
135.97354	3.7
137.02444	8.1
137.09712	61.3
145.02919	4.4
177.01950	20.1
179.03485	4.8
181.08743	7.1
189.01956	38.7
190.02744	4.2
213.11359	48.0
216.00742	4.1
217.01373	17.7
273.20667	7.9
341.06744	55.7
353.57684	4.1
381.79962	4.7
435.10251	20.9
435.21643	19.3
435.26462	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	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	2.3
64.26827	0.4
71.01382	5.0
73.02938	2.5
81.03519	0.5
83.01415	1.1
85.02950	3.2
93.03461	8.2
101.02428	6.0
102.89391	0.5
102.90868	0.5
108.02183	2.7
109.02953	11.6
113.02437	2.1
122.03726	4.0
125.02415	0.7
137.02441	12.3
152.01187	3.4
153.00803	0.9
153.01938	11.3
161.04524	2.6
168.00699	0.7
249.90370	0.5
273.11349	3.0
297.06061	0.7
315.07242	2.5
375.20248	14.4
435.09320	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	435.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14622	0.1
57.03454	0.2
59.01384	2.4
60.91427	0.1
61.98836	0.2
64.58150	0.1
83.05013	0.3
85.02947	0.2
86.30708	0.1
95.05025	0.1
97.02963	0.5
97.06606	0.2
100.10447	0.1
111.04513	0.2
111.08228	0.2
113.06140	0.1
121.02975	0.3
121.10210	0.5
123.08163	0.2
125.06063	0.2
126.27700	0.1
135.08047	0.2
147.04504	0.2
151.00325	0.2
151.07645	0.1
163.11308	0.9
165.09200	100.0
166.09540	3.2
167.09709	1.3
185.08266	0.2
255.15892	0.1
435.27652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83281	7.6
57.03471	9.7
59.01389	100.0
60.29275	7.4
67.10357	7.4
70.95367	7.5
71.01393	10.4
81.51759	9.7
83.05013	15.6
85.02962	11.1
89.73709	7.9
123.08149	20.4
144.40863	8.9
151.00352	12.8
223.40416	10.0
226.95767	8.7
231.62259	8.7
267.15594	8.8
435.27957	23.2
452.86661	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96204	6.4
59.01395	100.0
60.01705	5.0
61.98850	27.9
64.35165	6.5
64.67322	5.4
64.78175	4.9
68.58683	5.4
69.32738	5.4
75.00871	5.3
79.84284	5.0
85.02935	5.5
101.02428	7.2
101.93764	5.0
108.02187	6.0
112.36648	5.4
116.92846	7.5
121.02960	8.6
123.00882	7.6
124.01641	9.2
125.02449	12.8
136.00795	5.6
139.54573	6.4
141.69798	5.7
149.30336	6.5
151.00404	11.2
168.00671	10.1
169.01453	9.4
255.15965	7.3
273.17123	13.4
435.09302	14.0
435.21729	12.4
435.29724	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	435.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82713	1.3
55.65463	0.9
56.10950	1.0
57.03444	2.0
59.01383	69.4
61.98842	7.5
71.01379	8.2
73.02962	2.1
76.57577	1.1
85.02971	7.3
88.06151	1.0
93.03455	17.6
101.02439	6.1
108.02169	11.0
109.02949	31.7
113.02443	2.7
121.02953	26.5
122.03735	100.0
124.01658	8.7
125.02470	5.2
135.08197	1.6
136.05298	8.5
137.02443	36.3
137.09726	8.2
149.99608	1.8
151.00412	2.0
152.01180	10.0
153.01942	48.1
154.02715	17.4
161.04556	6.4
168.00633	4.8
175.94603	1.2
213.09286	1.7
213.11366	5.9
258.08966	9.1
264.44852	1.1
269.89755	1.2
273.11343	83.9
291.36395	1.3
297.06079	1.5
315.07224	2.7
375.20438	9.2
435.09348	19.1
443.36627	1.1
458.94946	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	435.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98835	14.9
63.57466	1.6
65.00356	1.7
71.01377	14.9
71.31097	1.6
73.02956	2.5
76.79914	1.4
83.01401	3.6
85.02935	3.6
89.02446	3.9
93.03446	20.3
101.02441	6.8
108.02179	21.1
109.02949	53.1
113.02426	3.4
119.08632	1.8
121.02926	25.8
122.03716	80.7
123.00815	2.1
124.01641	11.6
125.02429	14.4
126.17223	2.0
135.08134	8.0
136.05272	3.5
137.02434	49.1
137.09700	28.4
149.99548	6.9
151.00365	7.6
152.01120	20.5
153.01932	89.2
154.02724	15.4
161.04503	4.0
168.00626	12.7
168.04274	3.0
181.08701	1.9
213.11346	21.6
213.14862	3.8
258.08981	9.8
273.11343	83.8
285.04065	2.4
315.07281	4.0
375.20157	3.3
435.09308	34.7
435.21115	3.0
435.26199	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	435.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80433	1.6
57.03452	8.7
59.01387	31.8
70.05056	1.6
71.01395	4.9
73.02935	2.1
73.33945	1.7
83.01463	1.8
85.02976	2.4
88.01526	2.4
88.98807	2.7
89.02446	3.3
96.95988	2.3
101.02448	3.1
109.06636	2.5
116.92817	2.5
119.03592	1.9
121.60281	1.9
123.04358	2.2
123.08163	100.0
133.10248	4.6
137.02477	4.5
149.09743	34.4
151.00351	9.3
151.03976	2.6
175.11272	10.1
193.12315	3.5
237.11359	93.0
435.17465	3.1
448.32922	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	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90141	0.5
55.83195	0.5
58.00604	3.3
59.01387	4.1
64.88470	0.6
65.21662	0.7
71.01391	4.1
73.02977	0.7
78.45728	0.5
84.66128	0.6
85.02961	1.3
87.00868	4.7
96.96002	26.6
98.95596	9.4
98.96445	1.2
101.02453	2.5
103.18832	0.7
113.02448	0.7
116.92881	2.3
117.03463	1.0
121.02938	2.6
122.03711	1.4
127.93443	0.6
129.01933	0.8
145.02957	3.7
147.04489	0.8
149.02443	47.2
150.03229	57.3
153.00185	0.8
153.01891	0.8
161.02455	3.2
161.04561	3.0
162.03212	5.2
163.04007	0.9
164.04802	26.7
165.05565	100.0
177.05615	1.3
180.04240	3.3
195.06647	25.6
251.50290	0.6
264.05405	0.6
327.10889	21.9
357.11914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1302
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
54.58446	0.4
57.03459	1.1
59.01387	7.8
59.92537	0.4
60.01720	0.5
61.98838	1.1
65.00323	1.0
67.01908	0.4
69.03452	1.9
71.01365	0.6
81.03454	17.5
82.21606	0.5
83.01387	8.3
85.02946	0.6
93.03461	11.5
95.01385	0.9
95.04996	0.4
97.02947	2.3
99.04517	0.6
107.01392	2.3
111.04533	0.5
114.35696	0.5
119.05025	14.2
121.02957	3.3
123.00896	2.4
123.04525	45.6
124.01670	9.0
125.02451	43.1
134.30238	0.5
135.04549	1.9
137.02466	1.9
148.19571	0.4
149.02463	4.1
149.99591	13.0
150.00706	0.9
151.00365	6.5
167.03500	100.0
168.00644	21.7
169.01405	0.8
179.03497	12.9
181.69382	0.5
187.07751	0.9
189.05562	3.5
191.03606	1.0
229.08768	0.7
273.07721	90.0
274.08054	1.9
285.03860	0.5
340.58646	0.5
366.74393	0.5
417.08551	0.8
435.09357	22.4
435.22400	0.7
435.29608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01396	0.7
64.15751	0.7
65.65885	0.7
69.03482	6.3
81.03455	7.4
83.01395	4.9
83.46480	0.6
83.52214	0.7
87.21611	0.7
93.03465	4.2
95.01391	3.7
95.05017	1.0
97.02950	7.2
100.35008	0.7
107.01408	3.6
109.03014	1.3
119.05020	5.2
121.02946	9.6
123.00888	12.6
123.04527	14.5
124.01656	38.3
125.02444	100.0
136.01657	0.9
137.02452	3.6
149.99594	61.6
151.00409	6.4
165.01952	0.9
167.03505	37.6
168.00650	88.0
169.01468	6.6
179.03474	3.3
204.65750	0.9
242.99870	0.7
273.07715	31.2
288.50055	0.8
313.05731	3.6
417.08194	4.4
435.09378	98.3
435.22202	3.5
436.09760	2.9
453.98569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.4
59.01382	17.7
61.98834	2.8
63.02414	1.8
65.00328	19.0
71.01407	2.4
71.95574	1.6
83.01404	12.3
83.66612	1.6
86.54234	1.6
89.02455	2.0
107.01397	32.7
109.30187	1.8
121.02950	4.3
123.04507	9.4
124.01664	2.7
125.02444	36.5
133.77901	2.2
135.04535	2.5
137.58575	2.0
149.02489	2.3
150.03229	32.6
151.00377	100.0
151.04021	29.4
152.01160	16.5
168.00687	2.8
169.01425	27.4
178.99854	11.8
194.64629	2.0
195.10402	2.2
217.05061	2.1
241.04933	2.5
285.04065	55.1
301.03265	2.2
302.03345	10.3
303.05023	11.0
309.06213	2.3
353.93817	2.0
417.29108	1.9
435.09061	25.8
435.22244	2.9
435.29581	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	435.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58852	1.4
54.60432	1.1
57.44121	1.3
59.01379	1.8
66.67632	1.6
69.03480	1.7
83.01395	1.7
85.35452	1.7
92.66452	1.9
93.03472	15.4
107.05045	17.9
109.02969	24.4
109.07663	1.7
117.03481	1.8
121.02983	14.9
122.03758	17.3
123.00922	2.3
123.04534	26.4
124.01676	17.1
125.02446	38.3
133.02942	6.4
137.02443	3.0
145.02962	10.3
147.04553	8.6
149.02383	1.9
149.99606	23.6
150.03165	5.7
151.04001	12.8
161.02437	3.0
168.00656	35.0
177.01936	41.9
188.42355	1.8
189.01961	87.7
190.02711	15.1
191.03546	18.7
203.03546	3.6
213.77641	1.7
216.00652	11.4
217.01453	51.8
218.02095	2.4
219.03043	18.8
229.05057	1.7
229.08722	26.9
231.03055	13.1
233.04500	2.2
273.07632	13.1
289.07349	3.3
311.05713	7.6
323.05783	2.2
341.06705	100.0
355.82608	1.6
356.43253	1.7
373.95584	1.6
422.51282	1.6
435.09955	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Pterosupin
Peak:m/z	Relative Intensity
57.03462	3.3
59.01387	14.0
61.98843	2.7
65.00337	3.2
69.03452	3.1
71.01385	3.6
71.05027	1.2
73.02934	0.7
75.00885	1.3
75.08428	0.6
78.71439	0.5
79.05575	0.7
81.03452	16.8
81.03868	0.9
83.01386	7.6
85.02967	1.0
88.98848	0.8
89.02473	1.1
93.03448	8.6
95.01389	1.4
95.05019	15.5
97.02941	6.8
99.04514	8.5
99.94682	0.6
105.03397	0.6
107.01402	3.7
107.04994	1.0
109.02952	2.4
111.04546	1.3
113.02438	0.8
119.05006	12.8
120.99677	0.8
121.02966	4.2
122.03730	1.4
123.00905	2.5
123.04522	27.0
124.01629	0.8
125.02439	33.2
135.04529	1.5
137.02437	4.7
137.06079	19.1
138.03140	0.7
139.04002	3.8
145.03027	0.7
147.04573	3.3
149.06007	0.9
150.03249	4.8
151.00380	11.5
151.03993	4.3
152.01134	1.3
163.04114	0.8
165.05553	8.6
166.02798	0.7
167.03497	65.9
176.04811	1.2
177.01967	0.7
177.05569	0.8
178.99820	1.2
179.03514	15.7
181.05031	2.9
189.05626	7.0
191.03439	2.9
191.07042	1.5
193.05098	2.5
197.04581	4.9
205.01268	0.7
209.04590	17.1
216.71054	0.7
221.04523	4.2
221.08186	1.3
231.06789	0.7
239.05658	1.1
271.02710	1.0
273.07681	10.6
285.04156	5.3
285.07748	2.8
315.08792	100.0
327.08658	1.1
345.09827	23.1
345.13718	1.3
417.11691	1.2
435.13287	1.4
435.22418	3.4
435.29642	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	435.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89471	0.8
59.01389	1.6
59.66589	0.9
63.54876	0.9
71.01434	1.0
85.02991	0.9
93.03458	73.0
108.02183	82.2
109.02967	34.5
109.61495	0.9
120.86344	0.9
121.03001	1.0
123.08134	1.3
125.02475	1.0
137.02446	100.0
152.01164	99.6
153.01949	29.3
168.00624	1.3
235.68613	0.9
297.06116	13.8
315.07315	18.4
316.07831	1.0
331.91629	1.2
435.09424	74.4
436.09650	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	435.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50305	1.0
59.01392	6.0
63.02415	2.1
63.04736	1.0
65.00328	20.0
83.01400	12.7
89.02463	1.4
92.10825	2.5
107.01399	29.6
121.02891	1.2
123.04539	12.8
124.01653	6.5
125.02460	21.6
133.02948	2.7
135.04517	2.7
150.03233	27.1
151.00380	100.0
151.04008	24.7
152.01172	18.8
153.01860	1.9
175.04001	2.8
177.01949	2.7
178.99896	10.8
199.04007	2.0
209.02376	1.5
217.05133	1.6
223.06200	2.5
241.05167	1.9
257.04376	1.4
283.08221	2.0
285.04083	55.6
303.05066	10.3
307.39499	1.3
435.09140	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0938
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
51.75704	0.3
52.02380	0.4
52.51982	0.4
53.39436	0.3
55.79750	0.4
57.03468	2.5
59.01392	2.6
60.41531	0.5
60.84647	0.4
61.81807	0.5
63.02416	2.0
65.00333	20.8
68.88999	0.4
71.01385	0.6
83.01385	10.3
86.67017	0.4
89.02455	0.9
92.10793	0.6
95.01392	0.5
107.01393	33.1
109.02954	0.8
121.02897	0.5
122.03754	1.8
123.04516	13.0
124.01638	4.8
125.02441	24.5
132.02170	0.5
133.02950	6.4
135.04536	3.6
147.04448	0.5
149.02451	3.1
150.02010	0.5
150.03233	27.9
151.00375	100.0
151.04002	26.6
152.01166	21.3
153.01959	1.0
159.04500	0.7
169.01410	2.5
171.04485	1.0
174.03310	0.8
175.04015	4.8
175.67453	0.5
176.01202	2.1
177.01886	4.6
178.99876	13.4
180.00610	0.8
185.06114	0.9
187.04189	0.5
189.05571	1.8
195.04543	0.6
199.04013	4.3
201.01913	0.7
210.11800	0.5
213.05557	1.0
215.03534	0.6
217.05048	2.5
239.03352	0.5
241.05113	2.5
243.02911	0.6
257.04550	1.0
259.06064	0.7
272.02530	0.5
275.05603	0.7
283.08167	2.9
285.04062	53.3
302.04199	2.1
303.05124	13.2
309.06189	2.7
345.14496	0.5
369.69229	0.5
417.08371	0.8
435.09375	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62832	0.4
59.01390	5.9
61.98839	0.6
62.67321	0.4
63.31749	0.4
78.95917	2.6
79.95758	2.8
88.98828	0.5
92.10180	0.9
96.96014	100.0
96.97007	2.6
98.30721	0.4
100.17863	0.4
101.63594	0.4
116.92934	0.5
139.00386	0.4
141.01675	0.6
144.87398	0.5
161.07137	0.5
279.09525	0.4
305.15234	0.4
334.78696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83021	1.2
57.03450	1.4
59.01404	1.7
62.82586	0.9
63.02412	1.4
65.00333	19.1
65.86371	0.9
68.17757	0.9
71.01388	1.2
83.01403	8.9
99.67994	1.0
107.01398	33.7
107.39773	1.1
109.02936	1.4
111.38625	1.0
121.02911	1.4
121.35816	1.1
123.00973	1.0
123.04523	9.9
124.01662	7.5
125.02444	22.6
127.42270	1.4
133.02989	5.5
135.04518	2.2
147.04510	1.3
149.02400	5.1
150.03224	29.8
151.00392	100.0
151.04001	27.5
152.01175	20.9
169.01405	1.1
174.54004	1.1
175.03979	5.6
177.01942	1.7
178.99875	13.4
181.00166	1.3
199.04088	2.0
241.05148	1.5
255.54073	1.1
257.04553	1.3
283.08246	1.5
285.04102	52.3
302.04639	1.2
303.05127	12.2
309.06113	1.3
435.09372	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	435.0937
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
52.41533	0.8
54.72881	1.0
59.01372	1.5
61.98813	1.1
66.30914	1.0
67.90552	0.9
69.03450	7.3
81.03463	1.4
83.75462	0.9
93.03419	2.5
95.01361	2.0
97.02906	4.9
98.22584	1.0
104.71786	0.9
104.72618	0.9
107.01363	1.4
107.05035	14.6
109.02967	9.1
118.03616	0.9
121.02958	19.1
122.03725	12.5
123.00876	12.6
123.04482	5.7
124.00876	1.5
124.01663	34.6
125.02443	79.7
128.93277	1.0
137.02344	4.5
145.02893	1.5
147.04451	1.1
149.99597	57.3
150.03221	4.0
151.00331	3.5
151.03929	2.4
160.78381	1.0
167.03461	1.1
168.00644	85.4
169.01457	7.5
177.01866	7.0
177.49005	1.2
189.01950	14.8
190.02718	2.5
191.03432	1.9
194.50635	1.1
209.05852	1.2
217.01401	10.0
229.08722	18.4
231.02763	1.1
273.07660	9.5
341.06686	21.2
417.07935	2.3
435.08981	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	435.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44963	0.3
59.01386	2.5
62.36268	0.3
63.37107	0.3
71.01395	0.5
79.95750	1.7
87.37064	0.3
88.53657	0.3
88.98819	0.5
89.02454	0.5
93.47867	0.4
96.96011	100.0
98.95570	0.5
107.25159	0.3
107.77219	0.3
109.02946	0.3
113.06129	0.5
116.92789	0.4
123.35305	0.4
161.54308	0.4
341.94284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44963	0.3
59.01386	2.5
62.36268	0.3
63.37107	0.3
71.01395	0.5
79.95750	1.7
87.37064	0.3
88.53657	0.3
88.98819	0.5
89.02454	0.5
93.47867	0.4
96.96011	100.0
98.95570	0.5
107.25159	0.3
107.77219	0.3
109.02946	0.3
113.06129	0.5
116.92789	0.4
123.35305	0.4
161.54308	0.4
341.94284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02257	0.1
53.21770	0.2
53.60587	0.1
59.01391	6.1
59.90044	0.2
67.50733	0.1
71.01389	0.4
71.08260	0.2
73.02934	0.2
79.95744	1.2
84.46665	0.2
85.02974	1.3
86.70941	0.2
89.02452	0.7
93.03454	0.8
93.58237	0.2
96.96011	100.0
101.02428	0.6
103.43491	0.2
113.02477	0.2
113.69603	0.2
113.92645	0.3
116.92857	0.5
119.03513	0.3
119.04987	0.8
145.02946	0.4
149.02396	0.2
149.09625	0.2
163.03940	0.4
167.10786	0.4
174.19322	0.2
191.05634	18.0
202.98743	0.8
242.92776	0.3
289.02405	1.2
304.04254	0.2
337.09335	3.2
355.01205	0.4
375.20303	0.2
435.06339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20218	0.1
51.33423	0.2
58.00597	0.8
58.12570	0.1
59.01386	3.0
71.01376	2.4
72.99305	0.3
73.02934	0.7
74.99102	0.1
79.95741	1.2
85.02958	1.9
87.00893	0.8
89.02441	1.7
96.96010	100.0
98.95593	0.9
101.02438	1.0
106.93356	0.2
108.02172	0.6
109.02982	0.2
111.87805	0.2
113.02460	0.7
117.03452	0.3
119.03484	0.6
119.05022	0.3
121.02953	0.3
122.03687	0.2
123.04568	0.2
129.01961	1.2
145.02948	1.6
146.03769	0.2
147.03006	0.2
147.04456	0.3
147.95850	0.1
149.02454	6.5
150.03238	10.4
152.01151	0.4
161.01280	0.2
161.02449	1.1
161.04552	0.9
162.03273	1.7
163.03976	0.3
164.04803	3.8
165.05576	14.7
169.65884	0.2
177.05530	1.1
179.05643	0.3
180.04286	1.0
195.06648	4.6
212.16753	0.2
315.07217	0.3
327.10950	3.8
337.09332	1.6
357.11935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	37.0
65.00327	1.0
71.01363	6.4
73.02946	3.1
83.01369	1.6
85.02948	3.3
89.02441	1.1
95.01398	0.9
101.02445	3.9
107.01378	1.5
108.02170	0.9
109.02919	1.2
113.02451	3.0
121.02914	1.2
148.01691	1.7
149.02441	0.7
151.00375	8.3
161.04575	1.7
163.00339	3.1
178.99890	2.9
191.14520	0.9
201.05707	1.1
227.03413	1.7
243.02985	7.1
245.04602	1.2
255.02982	18.6
271.02487	37.2
272.03009	1.1
273.04010	1.2
300.02759	46.5
301.03500	31.5
373.22354	8.0
413.29071	1.0
433.07825	22.3
433.20346	1.5
434.07938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54792	0.1
54.85200	0.1
58.88820	0.1
59.01386	0.3
61.42907	0.1
63.65212	0.1
63.83664	0.1
67.00242	0.1
68.16591	0.1
77.21760	0.1
111.04526	0.2
121.02895	0.6
121.10194	0.3
165.09192	100.0
166.09557	1.1
192.62074	0.2
195.22478	0.2
266.63318	0.2
274.57849	0.2
294.82129	0.2
375.85269	0.2
433.26031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76910	0.2
54.83211	0.2
59.01387	1.6
61.01806	0.3
61.98833	100.0
63.15185	0.2
65.98605	0.2
130.96815	0.2
164.32509	0.2
165.25401	0.2
180.23958	0.2
213.93996	0.2
214.53746	0.2
374.21704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43833	0.2
54.33604	0.2
54.82703	0.3
59.01385	1.2
61.10027	0.2
67.01891	0.4
70.53101	0.2
71.01382	0.4
71.09238	0.2
72.52891	0.2
78.95935	0.3
79.95743	1.9
80.15511	0.2
85.02958	0.6
87.00877	1.3
93.03461	2.2
96.96004	100.0
102.99818	0.2
111.04484	0.4
113.92618	0.6
114.93461	0.2
119.05018	1.5
126.46285	0.2
129.01947	0.3
163.03990	1.1
173.04529	1.9
184.03633	0.2
191.05623	13.2
191.07343	0.5
337.09375	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	433.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
57.30865	0.6
59.01390	100.0
61.98849	0.8
69.03459	0.9
70.09415	0.9
79.27969	0.7
101.81671	0.9
115.74143	0.8
121.02973	5.9
123.08099	0.7
137.02496	1.1
137.06134	1.1
137.09686	0.9
159.09798	0.8
165.09224	1.5
219.13950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.91483	0.3
59.01385	100.0
61.98860	0.7
68.65359	0.3
71.01378	4.2
71.25689	0.3
73.02960	1.7
83.01389	0.6
84.60812	0.4
85.02942	2.6
89.02451	0.8
101.02454	3.3
113.02452	2.1
124.86465	0.3
136.42767	0.3
136.45787	0.4
139.00401	0.5
139.47910	0.4
161.04553	1.9
165.01917	0.5
176.57478	0.4
183.83759	0.4
211.13452	5.1
249.74072	0.4
300.74658	0.3
373.12888	1.6
373.22424	6.6
433.14960	1.9
433.24390	1.9
441.36972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29911	0.4
55.01885	0.5
58.95977	0.4
59.01386	100.0
61.98827	0.6
71.01381	7.6
72.18938	0.4
73.02944	2.3
83.01373	0.6
85.02956	3.4
89.02448	3.6
95.01418	0.6
99.00890	1.1
101.02454	5.5
113.02455	3.7
119.03503	1.0
161.04558	3.2
172.11646	0.5
181.32057	0.5
189.03673	0.5
211.07729	0.7
227.16547	2.2
253.18051	0.5
373.22388	22.7
433.24228	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	433.2001
Annotation	CHEMBL516860
Peak:m/z	Relative Intensity
54.89607	6.3
59.01382	100.0
61.98856	13.5
67.65536	5.9
71.01390	9.8
74.89197	5.5
85.02966	6.3
86.48837	7.9
92.10759	9.3
100.62206	6.3
101.24388	7.6
102.06448	6.3
105.93080	6.1
107.39542	7.0
119.04997	7.6
166.74229	6.6
211.09943	6.8
235.00906	8.0
433.20065	61.0
433.28070	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03127	10.6
59.01387	100.0
59.07126	9.1
61.98832	46.8
71.01392	10.6
78.21022	10.6
83.54295	10.6
85.02926	12.4
92.05741	12.1
97.77797	10.4
101.02374	14.3
107.04998	14.4
121.02959	20.2
130.47902	11.2
156.03831	13.9
206.84776	12.2
242.63261	11.8
314.71713	12.1
321.92352	12.4
343.51382	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	433.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27348	0.3
55.41189	0.3
59.01386	100.0
71.01385	0.7
82.95428	0.7
88.98822	0.4
96.96015	0.4
101.02479	0.6
113.02490	0.3
116.36394	0.3
125.02427	0.6
148.15845	0.3
148.67677	0.4
161.04578	0.4
181.05078	6.6
185.89008	0.4
192.82336	0.4
196.07431	4.8
201.62813	0.3
211.09792	6.4
259.03891	0.4
443.90952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26768	0.4
54.43947	0.4
55.01898	1.1
57.03463	0.7
59.01384	77.9
61.98821	1.1
71.01368	5.5
72.99293	0.5
73.02949	0.7
84.03956	0.5
85.02935	5.0
85.52834	0.5
89.02446	3.2
92.10725	0.8
94.04221	4.6
95.01349	0.9
101.02457	2.6
107.08662	2.0
113.02448	7.4
113.06082	0.8
117.37480	0.6
119.03408	0.8
120.05787	8.9
123.08193	0.6
126.48394	0.5
135.08147	100.0
135.65234	0.5
136.08502	0.8
147.54514	0.5
148.90282	0.5
149.09720	0.7
167.10748	13.5
173.09598	0.6
193.08728	2.3
211.09764	17.8
251.32446	0.6
253.10716	0.6
400.38287	0.7
433.24252	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01387	2.4
63.02384	3.1
65.00316	8.7
77.71970	0.4
83.01378	5.6
90.97267	0.5
92.10091	0.4
93.03443	9.7
98.20016	0.3
106.01552	0.4
107.01375	18.5
108.02193	0.4
108.99322	0.4
119.05008	59.6
121.02975	0.8
122.03736	1.7
125.02382	1.5
131.01324	0.4
136.01573	0.5
145.02841	0.6
151.00356	54.3
161.06061	0.6
164.01122	0.7
165.01883	2.1
169.01321	0.7
175.00359	2.0
177.01927	7.9
185.06091	0.8
187.04005	0.7
193.01443	0.7
227.07088	0.8
238.08852	0.4
243.12508	0.4
271.06107	100.0
272.06448	2.5
295.06183	0.7
313.07184	0.8
341.74542	0.4
445.82410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36289	0.3
59.01399	0.9
63.11177	0.2
64.83077	0.2
77.16039	0.2
78.95904	2.3
79.95741	1.9
83.47964	0.2
84.62705	0.2
89.02431	0.3
96.96010	100.0
96.96895	4.1
101.06683	0.2
125.02431	1.0
214.84210	0.2
293.08575	0.3
327.30099	0.2
332.06799	0.3
335.13507	0.8
350.20929	0.2
359.09048	0.3
450.04709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21567	0.7
59.01383	9.6
63.02385	0.9
63.43026	0.7
65.00313	6.1
69.03463	1.1
71.01393	3.6
75.77807	0.8
79.01878	1.2
81.03457	4.7
83.01398	7.3
85.02947	0.8
89.02441	1.9
92.09674	1.0
93.03452	9.5
95.01385	3.5
97.02943	6.8
101.02459	1.1
101.47829	0.8
104.20266	0.9
105.03439	1.8
107.01418	9.0
109.02965	0.9
113.02477	1.0
119.05024	58.6
121.02969	7.8
123.00879	2.0
123.04537	1.5
125.02442	23.1
135.04565	1.0
137.02444	6.3
143.05031	7.3
145.02917	6.4
149.02405	7.4
151.00395	21.4
155.03511	2.1
159.04430	1.0
159.08060	1.3
161.06064	1.9
163.00330	9.3
163.04074	1.2
164.01134	1.8
165.01936	16.2
167.03482	4.3
177.01961	4.9
179.03482	1.8
183.04538	1.8
185.06149	1.7
187.03998	8.1
191.03516	4.6
192.99721	1.5
193.01439	34.6
199.07610	1.4
205.01428	1.7
207.02953	1.9
211.03981	1.7
215.03537	1.4
219.03033	3.4
223.02487	5.8
227.03590	1.2
227.07169	1.6
235.09593	1.2
255.03044	7.3
256.03879	1.0
269.08298	1.4
271.06076	10.1
283.02670	1.6
283.06180	3.8
313.07224	100.0
325.07172	3.4
343.08234	27.8
343.12106	1.5
355.08365	1.8
368.40530	1.1
405.08200	1.5
415.10422	1.7
433.07541	13.0
433.11700	13.0
433.20602	1.8
459.04102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59287	1.0
57.72968	1.0
59.01381	16.3
59.01604	0.9
61.98854	1.0
63.02415	4.7
63.23013	1.0
65.00336	11.3
71.01388	4.3
75.37307	1.0
81.03484	2.5
82.95437	2.8
83.01398	13.2
89.02440	2.9
93.03459	12.4
96.95996	1.3
97.02975	6.0
101.02451	1.8
107.01394	26.2
116.25929	1.2
119.05026	76.6
120.29984	1.1
121.02955	10.1
123.00916	1.5
125.02447	18.0
137.02396	1.8
142.20296	1.1
143.05045	7.5
145.02971	7.7
149.02478	2.6
151.00385	82.6
152.00842	1.7
161.06134	2.2
163.00388	5.5
165.01958	16.7
167.03650	1.4
167.05034	1.4
169.01407	5.9
177.01935	10.5
185.06073	4.3
187.03984	9.1
193.01456	17.9
199.07649	1.3
207.02969	1.4
227.07288	2.1
255.03113	2.3
271.06158	100.0
272.06497	1.7
283.06265	1.8
313.07254	61.0
343.08304	17.3
398.96375	1.4
433.12027	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	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11134	0.3
53.13189	0.2
53.58174	0.3
54.71106	0.3
55.07111	0.3
55.16293	0.3
59.01402	1.7
64.34369	0.3
65.00339	1.2
67.81080	0.3
71.01401	0.3
83.01411	0.6
104.52401	0.3
107.01379	2.7
108.02206	2.2
109.02982	1.7
121.02940	0.6
134.90382	0.3
135.00945	0.6
147.00909	0.4
148.01662	2.9
151.00398	5.7
163.00383	2.3
164.01215	1.2
178.99847	3.2
185.06114	0.7
199.04066	1.3
203.03481	0.4
211.04024	0.6
215.03604	1.1
216.04300	0.5
226.02750	1.9
227.03531	3.5
227.07191	1.4
243.02975	15.3
244.03372	0.4
245.04543	0.5
253.05112	0.7
254.02292	2.6
255.02998	32.2
271.02505	68.4
272.03210	1.9
273.04233	0.4
283.02444	0.8
299.02063	1.5
300.02777	100.0
301.00122	0.6
301.03543	17.6
433.07791	42.9
434.08228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0781
Annotation	Herbacetin 7-beta-L-arabinopyranoside
Peak:m/z	Relative Intensity
52.77871	0.8
54.97823	0.7
59.01387	8.3
63.02403	3.7
65.00330	4.3
67.30927	0.8
69.62451	0.8
71.01395	3.7
83.01408	5.0
89.02444	1.3
91.61095	0.8
92.10812	2.3
103.75439	0.8
105.56307	0.9
107.01405	7.3
115.05555	1.6
120.79565	0.8
121.02962	2.0
125.02480	7.5
127.18192	0.8
135.04573	0.9
143.05022	4.8
145.02951	8.8
147.04514	1.7
149.02524	1.1
151.00389	14.3
155.05035	1.5
158.03734	1.1
159.04518	6.6
161.02449	1.5
163.03995	8.6
167.05002	3.2
169.02953	3.4
171.04509	3.9
173.02397	1.6
175.03983	1.1
177.05588	2.0
178.99844	4.6
182.03769	1.3
183.04486	11.7
185.02289	2.9
187.04010	18.4
190.02731	1.8
191.03511	4.3
199.04086	4.2
201.05566	1.9
205.05029	2.2
211.04044	17.9
213.01997	4.2
214.02858	1.5
215.03537	11.6
227.03513	12.8
228.04060	1.2
229.05087	3.2
233.04498	0.9
239.03491	1.7
245.04582	1.1
255.00452	1.8
255.03015	43.0
256.03745	1.3
257.04572	2.0
283.02493	7.4
337.21616	1.0
405.08334	16.1
433.07834	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	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30074	0.5
59.01385	100.0
61.98837	1.4
65.98365	0.6
67.22322	0.6
71.01376	5.2
72.73788	0.6
73.02956	1.4
74.29752	0.6
83.44545	0.8
85.02959	2.2
85.15009	0.6
89.02470	2.6
92.10689	0.8
97.06578	0.6
101.02460	4.4
106.96085	0.6
113.02458	3.5
117.02699	0.6
161.04549	3.0
162.89317	3.7
371.20877	6.5
418.72580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58422	0.9
55.01898	0.8
57.03454	27.1
59.01385	40.1
59.85813	0.9
61.98840	1.4
69.03487	1.2
71.01379	27.7
71.01725	1.6
73.02943	1.2
83.01411	1.4
84.99303	1.2
85.02972	2.5
89.02442	36.9
92.10859	2.0
97.06599	13.0
101.02444	10.6
106.90299	1.0
113.02460	6.1
119.03505	4.6
121.03024	1.0
125.09720	5.6
131.03471	2.0
137.09750	1.1
143.03558	1.7
151.11325	1.1
156.97835	1.4
157.60352	1.0
161.04549	1.5
179.05652	7.6
188.45848	1.2
189.16505	2.1
201.74837	1.1
207.17575	100.0
241.78624	1.1
251.16547	21.6
313.79422	1.1
431.24387	5.6
440.07513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
61.98837	0.8
63.95937	0.2
71.01398	0.3
76.58637	0.2
84.04327	0.2
85.06600	0.3
86.23869	0.2
92.10143	0.2
97.06552	0.3
97.53996	0.2
111.83989	0.2
129.30444	0.2
179.10785	100.0
180.11119	1.0
191.14447	0.3
251.16585	2.2
401.23358	0.3
431.24677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3535
Annotation	Ergosta-7-ene-3beta,5alpha,6beta-triol
Peak:m/z	Relative Intensity
54.57181	0.7
69.41398	1.0
69.68665	0.8
76.85181	0.9
92.10073	1.6
96.96623	1.0
101.51814	0.8
121.06615	11.8
121.82145	1.0
127.20432	1.2
149.06096	100.0
175.07669	6.1
198.78558	1.0
214.18362	0.9
341.43875	1.0
416.33151	14.6
431.35364	35.6
452.17880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40780	0.2
51.94109	0.2
53.17155	0.3
59.01386	5.3
60.01715	0.4
61.01814	0.4
61.98834	100.0
68.04640	0.3
78.54250	0.3
79.16592	0.3
85.02966	0.3
89.02451	0.3
107.06998	0.3
113.02466	0.4
137.92220	0.3
152.79468	0.3
168.50999	0.4
191.05620	0.4
218.74721	0.3
255.02988	1.1
271.02377	1.9
300.02658	2.2
301.03683	2.3
316.71329	0.3
433.07883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38795	0.3
59.01385	71.2
60.01722	6.5
60.90119	0.3
61.98834	100.0
65.16580	0.4
70.22057	0.3
71.01373	3.0
72.01744	0.4
76.48740	0.4
83.01405	0.4
85.02969	1.8
89.02440	3.2
91.21812	0.3
101.02443	1.7
107.01395	0.4
108.68420	0.4
113.02448	0.7
117.03475	0.5
119.03458	1.5
120.03871	0.4
129.06746	0.3
149.02220	0.4
149.99522	0.4
151.00398	0.7
161.04587	0.5
179.05679	0.7
212.04494	0.6
239.03464	0.6
240.04001	1.9
241.04584	1.8
268.03806	13.1
269.04169	34.4
270.04861	6.7
312.06024	0.6
372.21082	1.5
432.10242	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64766	3.0
54.02470	3.2
57.03454	4.8
59.01382	53.8
59.86610	3.0
60.99331	5.9
68.26259	3.1
71.01394	45.6
72.85940	2.9
73.02969	7.4
78.49923	3.4
83.01381	3.3
83.05010	4.5
85.02977	21.6
88.98812	59.6
89.02473	22.4
90.44479	3.1
101.02450	26.9
103.40885	4.4
113.02489	20.3
119.03524	6.3
125.02467	17.1
129.22874	4.7
138.06853	17.7
139.07681	4.8
151.07671	23.7
152.08469	25.8
153.09225	89.2
161.04602	28.8
168.00688	14.4
169.20552	4.5
205.12352	35.7
208.24760	4.0
223.13464	46.5
385.18692	100.0
431.12280	5.8
431.19373	19.2
432.41119	4.0
438.98053	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64766	3.0
54.02470	3.2
57.03454	4.8
59.01382	53.8
59.86610	3.0
60.99331	5.9
68.26259	3.1
71.01394	45.6
72.85940	2.9
73.02969	7.4
78.49923	3.4
83.01381	3.3
83.05010	4.5
85.02977	21.6
88.98812	59.6
89.02473	22.4
90.44479	3.1
101.02450	26.9
103.40885	4.4
113.02489	20.3
119.03524	6.3
125.02467	17.1
129.22874	4.7
138.06853	17.7
139.07681	4.8
151.07671	23.7
152.08469	25.8
153.09225	89.2
161.04602	28.8
168.00688	14.4
169.20552	4.5
205.12352	35.7
208.24760	4.0
223.13464	46.5
385.18692	100.0
431.12280	5.8
431.19373	19.2
432.41119	4.0
438.98053	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	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12578	0.3
54.26620	0.3
55.01867	0.5
55.42012	0.4
57.03441	0.4
57.68359	0.5
59.01375	100.0
71.01368	8.6
71.77075	0.4
73.02927	3.9
76.42075	0.4
83.01379	2.5
85.02937	6.1
89.02420	2.8
95.01353	0.8
99.00861	1.1
101.02415	10.9
113.02442	3.7
134.32158	0.4
151.98312	0.5
161.04570	4.8
209.15521	0.8
220.21086	0.5
305.99869	0.5
371.20779	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
59.01382	100.0
60.33708	0.5
60.91552	0.5
62.02961	0.5
64.35284	0.5
65.49870	0.5
66.48598	0.4
71.01379	6.3
73.02964	2.8
74.54352	0.5
83.01402	0.8
85.02970	3.3
89.02454	3.0
92.10122	2.3
99.04520	0.6
99.63153	0.6
101.02435	4.5
113.02457	3.1
119.03526	1.3
143.03470	1.0
151.00421	0.8
158.03717	0.8
161.04530	1.2
179.05563	0.7
182.29832	0.5
186.03188	2.9
198.03400	0.8
214.02736	3.0
216.00647	1.3
233.88063	0.6
241.01439	24.6
242.02225	9.7
243.02957	2.6
245.00916	8.1
269.04523	6.3
270.01724	19.5
271.02454	11.9
298.01218	7.9
299.01923	7.6
316.64618	0.7
360.32364	0.6
431.06100	18.8
431.22815	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	431.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.9
59.01384	100.0
60.48754	0.6
61.98843	3.4
63.52849	0.6
71.01395	3.8
73.02946	0.9
83.05066	0.7
85.02968	2.6
89.02460	2.8
101.02448	1.5
113.02496	1.0
123.44707	0.6
137.02454	1.1
159.03084	0.7
159.04597	0.6
161.04553	0.9
165.01924	0.8
185.08328	0.8
297.58258	0.7
371.20798	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52987	1.1
55.01893	1.3
57.03467	1.5
57.93906	1.2
59.01393	100.0
59.01693	3.4
59.52199	1.2
71.01389	31.9
72.99326	1.6
85.02964	9.4
89.02448	24.5
92.10775	2.5
95.01413	2.9
99.04524	23.0
101.02452	14.6
113.02451	11.8
119.03507	7.8
161.04478	1.9
163.14970	1.7
189.12904	5.6
207.13945	25.4
211.78384	1.6
227.03616	2.5
248.45280	1.6
251.12910	86.1
269.13962	25.4
328.46970	1.5
431.18402	24.4
431.24109	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	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25851	1.4
53.55561	1.4
55.01892	2.5
59.01384	97.7
71.01376	29.5
72.99341	1.7
85.02959	7.9
89.02425	27.1
95.01352	2.3
99.04500	47.4
99.05087	2.6
101.02442	11.3
113.02422	8.8
119.03493	6.6
121.07676	1.6
167.96257	1.7
189.12842	10.4
207.13879	44.6
251.12872	100.0
269.13904	2.8
290.05966	1.7
356.74579	1.7
368.55042	1.8
431.19016	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56078	1.9
52.67567	1.4
57.03464	3.8
58.00597	2.3
59.01388	100.0
60.99324	3.3
61.98851	9.0
63.96260	2.0
71.01380	50.0
71.01714	2.6
72.99304	4.7
73.02957	3.3
75.00875	31.1
83.01421	3.6
85.02943	17.9
88.98814	37.7
89.02443	66.9
96.96029	12.8
99.00901	2.0
99.96836	1.8
101.02433	35.8
113.02454	16.5
117.97295	20.1
119.03513	13.1
119.04997	36.4
120.99630	2.9
121.02931	13.7
125.02441	10.5
129.01956	2.5
131.03516	43.9
135.25476	2.3
147.04543	2.3
149.04581	7.5
151.04082	3.5
161.02460	3.9
161.04568	4.3
162.98836	2.6
171.87564	2.0
179.05540	4.3
191.05597	18.7
208.64624	2.1
235.08412	2.3
299.11441	25.5
308.11041	2.1
338.79337	1.9
431.15698	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.8
57.03460	1.9
58.00616	1.7
59.01390	100.0
60.18762	0.6
65.07459	0.7
71.01394	43.2
72.99319	3.4
73.02959	1.3
83.01402	1.9
85.02969	10.2
87.00899	1.7
89.02454	57.6
95.01412	3.6
95.48288	0.7
96.95979	1.2
101.02454	19.3
109.02985	0.9
113.02456	17.9
119.03516	20.2
123.04534	1.2
125.02418	6.8
131.03514	1.8
143.03513	3.7
149.04570	1.3
151.04030	1.1
161.04558	3.2
168.00723	1.1
179.05634	17.3
245.08220	0.8
289.07236	1.4
332.59607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33064	0.2
56.43124	0.2
56.46191	0.2
59.01397	3.6
62.06352	0.2
62.65203	0.2
63.02399	0.7
63.13881	0.2
65.00357	0.7
70.79077	0.2
71.01404	0.3
83.01402	1.1
83.39163	0.3
91.22861	0.3
92.10820	0.5
107.01403	2.2
116.07024	0.3
117.03458	2.3
121.02991	0.3
149.02486	2.2
149.99550	0.3
151.00375	3.9
167.05069	0.3
168.05865	0.3
169.01430	0.3
171.04558	1.0
172.05304	0.5
184.05345	0.5
195.04565	0.4
196.05357	0.7
199.04138	0.3
200.04788	0.6
211.04036	2.3
212.04814	1.3
225.05611	0.3
239.03564	3.9
240.04329	4.1
257.92526	0.3
267.03027	2.3
268.03802	100.0
269.04553	21.5
270.04910	0.3
283.06003	0.3
311.05685	0.5
431.09891	52.8
432.10205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47462	0.6
55.01884	21.1
57.03464	3.9
59.01390	8.7
61.98843	1.2
67.27180	0.5
68.99827	2.6
69.94268	0.6
71.01381	17.2
72.98957	0.7
72.99309	24.9
73.02941	12.0
83.01389	35.6
85.02948	12.7
87.84821	0.6
91.72960	0.7
93.03474	1.5
95.05023	21.3
95.05599	1.0
96.99307	2.6
99.00906	3.0
101.02457	2.5
107.05055	4.7
110.21039	0.6
114.34993	0.7
121.02954	100.0
121.06596	3.7
123.04492	0.8
125.09725	1.6
127.00373	16.1
131.08704	1.3
133.06580	1.3
142.58650	0.6
147.04550	0.9
147.08167	1.3
149.06113	6.8
149.09753	1.0
157.10275	1.0
161.06076	1.4
163.07681	3.7
173.09692	0.7
175.07607	1.4
179.07140	2.6
181.08696	7.2
187.09775	1.0
203.10614	0.8
217.08755	0.8
247.09804	0.8
251.16551	3.4
265.10849	1.1
279.08762	24.2
309.09885	17.7
431.13486	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	431.156
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01882	1.4
56.62410	1.2
57.03460	1.8
58.00604	1.6
59.01382	97.0
66.80364	1.4
69.03423	1.8
71.01379	63.1
72.99310	2.1
73.02953	21.1
83.01387	2.5
85.02949	9.4
86.37026	1.3
87.00879	1.9
89.02437	82.7
92.10075	2.8
96.96008	1.6
99.00869	35.0
101.02441	29.4
113.02455	12.7
119.03531	11.1
119.05009	29.4
123.04465	2.5
125.02428	11.6
131.03510	7.2
137.02466	1.9
137.06061	1.8
149.04570	20.6
161.04471	2.5
172.72923	1.3
191.05615	6.9
235.55336	1.6
273.24231	1.7
273.82193	1.6
289.07260	2.3
299.11469	7.2
311.04868	1.5
358.36014	1.5
371.06525	1.6
431.15649	100.0
432.15411	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	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01397	8.3
63.02410	4.0
65.00327	2.8
71.01424	1.3
73.00039	0.3
83.01414	0.6
89.02465	0.6
92.10794	0.9
92.65954	0.4
93.03471	1.4
101.02478	0.4
105.03503	0.4
107.01394	6.1
113.02461	0.4
117.03471	11.1
121.02987	1.2
127.94904	0.4
135.04512	0.4
140.71266	0.3
149.02457	4.6
151.00395	4.4
157.06679	0.5
159.04498	3.3
161.02501	2.7
169.06642	1.3
181.06606	1.6
183.04503	4.0
196.05396	2.3
197.06148	2.3
199.03996	0.4
201.05618	1.6
224.04802	1.3
225.05627	6.1
227.03593	0.8
240.04298	0.7
241.05061	0.4
268.03992	0.6
269.04584	100.0
270.04895	1.4
283.06134	0.6
311.05612	1.9
334.73322	0.4
389.09158	0.4
408.07993	0.3
431.09872	38.8
432.10303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95852	0.3
59.01387	1.5
61.98834	100.0
62.92919	0.3
64.34921	0.3
71.01375	0.4
93.74528	0.3
96.96019	3.6
101.32063	0.3
115.04097	0.3
116.92868	0.5
117.90237	0.3
125.02395	0.6
164.67482	0.3
370.17044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85025	0.6
56.17089	0.7
59.01376	7.7
60.99304	18.5
61.98831	1.5
65.94024	0.6
67.63197	0.6
71.01370	1.0
78.77539	0.6
87.42698	0.7
88.98790	100.0
89.02444	1.6
96.95997	3.8
111.90640	0.7
125.02396	1.2
133.02914	5.4
135.04503	1.4
137.02434	3.3
151.03984	0.8
161.02441	29.4
173.08156	1.1
179.03474	3.6
205.06825	0.7
208.07382	0.9
209.07980	0.7
271.85962	0.7
272.98663	0.8
283.87469	0.7
341.08749	11.6
365.25558	0.9
395.15439	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	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85736	0.3
59.01407	1.7
63.16702	0.4
63.80022	0.3
65.00335	0.6
71.01381	0.7
77.03976	4.7
79.01912	2.6
93.03459	2.9
99.59801	0.4
105.03487	0.7
107.01419	0.8
112.87527	0.4
117.03463	16.1
117.04248	0.6
119.05032	0.9
119.28445	0.4
121.02972	2.7
125.02383	0.4
131.05128	0.5
135.00876	0.4
135.04558	3.0
135.05524	0.4
136.24504	0.4
145.02994	0.8
147.04507	0.5
149.02470	2.0
158.03688	0.5
159.04515	3.5
161.02455	9.6
163.00383	2.2
163.04034	3.3
165.01920	3.2
169.06598	0.6
173.05907	0.4
175.00429	0.7
175.04012	0.6
177.01958	0.6
182.03772	0.5
183.04524	2.0
183.08205	0.9
185.02377	0.5
191.03593	0.8
193.01395	0.5
196.05289	0.9
197.06114	2.2
201.05547	0.6
209.06117	0.7
210.06934	0.7
211.07697	1.6
224.04773	1.4
225.05673	0.6
227.03564	0.5
237.05620	0.9
238.06355	0.4
239.07169	3.9
253.05048	1.9
254.05823	0.6
255.06671	0.7
268.03812	4.1
269.04578	9.7
279.06613	0.5
281.01666	0.7
281.04584	13.2
282.05328	7.5
283.06155	78.2
284.06415	0.8
293.04620	2.5
295.06131	8.2
308.03198	0.9
309.04193	1.7
311.05655	100.0
312.06012	1.7
314.04437	3.0
323.05658	12.6
325.07254	0.5
341.06699	31.9
353.06711	1.8
395.07953	0.6
413.08856	2.5
431.09863	48.5
432.10223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
71.01392	1.0
73.02960	0.7
78.95902	2.2
79.95722	1.6
85.02978	0.4
89.02466	0.3
96.96010	100.0
96.96886	3.3
97.95952	0.7
98.95595	1.9
98.96172	0.2
98.96419	0.2
101.02438	0.7
110.02563	0.2
113.02441	0.2
117.01952	0.3
161.04559	0.3
252.04892	0.2
332.06860	0.3
369.14026	0.7
370.14398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59789	0.3
53.51844	0.3
59.01385	4.2
61.49269	0.4
61.98834	100.0
71.01378	0.8
82.88199	0.4
85.02963	0.4
85.86553	0.3
96.96021	0.6
113.02496	0.4
131.35297	0.4
213.25809	0.5
235.11934	0.6
236.11993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
50.76384	0.8
52.54398	0.9
53.40832	0.7
57.03466	1.4
59.01384	59.5
61.98831	1.2
65.00334	3.6
65.14429	0.8
66.19450	0.8
69.03462	1.3
71.01383	6.9
72.05480	1.0
73.02949	6.5
83.01418	1.9
83.05046	1.7
85.02958	4.6
85.21699	1.0
87.04527	2.0
89.02468	7.8
92.10673	1.2
92.88555	0.8
95.04982	1.1
96.96039	1.7
97.06592	4.4
97.23861	0.9
99.04538	1.2
101.02438	1.7
107.01399	3.5
113.02456	5.1
137.09706	1.9
151.00372	11.9
187.14992	1.2
205.15929	7.0
223.17056	100.0
231.13988	1.7
249.14929	7.9
265.14499	1.5
267.16034	85.3
291.15955	1.8
295.99481	1.0
309.17145	1.7
361.46011	1.1
369.11996	1.4
369.22507	1.1
385.70129	0.9
429.21442	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	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52973	0.4
59.01383	100.0
91.92794	0.4
108.02170	0.5
118.77076	0.5
213.76735	0.4
225.79367	0.4
253.12868	0.6
318.13538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40266	0.4
59.01385	100.0
59.35456	0.5
61.98854	0.7
69.47699	0.5
80.92671	0.5
137.05995	0.6
235.17145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01372	1.1
59.01384	100.0
60.01307	1.0
71.01378	39.9
72.75980	1.0
72.99314	2.0
73.02946	1.7
73.25774	1.1
83.01398	1.2
85.02958	7.8
87.00922	1.7
89.02441	43.9
92.10734	2.5
95.01407	4.8
99.04498	11.3
101.02451	15.9
113.02451	13.8
119.03509	17.2
143.03487	2.5
150.06842	2.1
161.13382	16.7
179.05634	6.7
187.11275	2.2
205.12341	36.4
249.11351	64.2
249.13986	2.2
429.17432	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	429.195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82864	0.4
56.93681	0.3
63.25552	0.3
76.21381	0.4
87.00889	0.6
92.10774	0.8
99.00893	1.6
99.92575	6.8
100.93356	8.7
115.92074	100.0
116.92079	1.2
116.92844	6.8
117.03447	0.6
132.92352	0.4
145.02951	1.6
147.78322	0.3
172.95528	3.6
203.62978	0.3
221.08171	0.4
227.92670	0.4
237.77177	0.4
239.86359	0.4
255.23248	1.5
381.17206	0.6
429.19571	5.0
429.30109	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	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03249	0.4
52.72802	0.3
52.89370	0.3
53.02163	0.3
57.03446	0.3
58.00615	0.4
59.01385	100.0
63.59719	0.4
71.01385	17.9
71.01778	0.8
75.16602	0.4
81.78194	0.3
85.02970	3.2
87.00859	0.6
88.63483	0.4
89.02442	21.7
90.66069	0.4
95.01344	0.6
101.02461	6.6
105.15038	0.4
113.02454	5.5
119.03519	7.4
123.47678	0.4
131.03526	0.8
143.03471	1.8
161.04514	0.6
179.05652	4.8
180.77739	0.4
223.13472	1.6
267.12408	0.8
318.04797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Dendroside F
Peak:m/z	Relative Intensity
51.32722	0.4
59.01389	100.0
61.63580	0.4
62.96728	0.4
64.05755	0.4
71.01378	4.5
73.02940	0.5
83.01382	0.8
85.02957	1.1
87.00897	0.7
89.02460	3.3
92.66341	0.5
99.04436	0.5
101.02457	3.0
113.02463	2.1
119.03513	0.6
161.04596	1.1
162.54503	0.5
185.08397	0.4
187.47144	0.5
223.17003	2.2
249.14987	2.3
267.15945	2.9
282.66632	0.5
284.03210	0.5
369.19183	2.1
429.21283	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	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06688	0.6
59.01384	100.0
67.25488	0.6
71.01389	5.8
73.02942	2.4
83.01395	0.6
85.02966	2.9
89.02454	1.4
95.01391	0.7
101.02444	4.9
105.90830	0.7
109.02937	0.7
113.02438	1.5
128.10182	0.6
137.09697	3.0
146.53227	0.6
146.75458	0.6
153.01913	2.4
161.04538	2.6
183.84184	0.6
369.19113	1.0
429.21152	5.1
432.30719	0.7
433.84906	0.8
451.56323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07124	0.5
57.03468	0.5
59.01392	100.0
61.98857	0.6
71.01397	4.3
82.14318	0.6
83.05039	0.8
85.02988	1.3
89.02484	3.0
100.26056	0.6
101.02441	2.1
113.02487	1.3
147.04634	0.6
161.04575	1.0
170.87906	0.5
201.32535	0.6
223.17197	0.5
368.93494	0.7
369.19278	1.1
429.21173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15663	0.4
59.01385	100.0
60.01723	0.7
61.01812	0.5
61.98833	2.9
66.00283	0.4
71.01381	11.8
72.99318	0.6
73.02946	1.0
74.89914	0.4
78.36015	0.4
85.02962	2.8
87.00880	0.5
89.02444	14.4
89.38187	0.4
95.01398	0.7
96.26658	0.4
96.96042	0.5
101.02445	4.8
105.24640	0.5
113.02446	3.3
119.03504	4.9
137.09715	2.2
143.03484	0.4
161.04535	1.1
161.13324	2.4
178.17581	0.4
179.05667	3.2
179.51802	0.4
205.12343	2.6
249.11305	1.7
269.76385	0.5
285.86212	0.5
311.51617	0.5
369.19037	0.6
373.02155	0.5
429.21451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11885	0.2
78.95894	0.4
79.32924	0.2
79.95730	1.6
84.21510	0.2
96.95999	100.0
98.95581	0.4
106.51431	0.2
112.77267	0.2
119.28887	0.2
125.02422	0.3
134.69432	0.2
139.03993	1.1
141.28316	0.2
149.18291	0.2
169.05008	1.7
172.51414	0.2
276.98599	0.2
330.84094	0.2
331.06616	0.5
331.10300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.1
59.01373	50.1
60.04664	0.5
68.99585	0.7
69.03448	0.9
72.01353	0.4
75.48010	0.6
79.90633	0.5
85.06570	0.8
96.95986	4.2
113.01065	0.5
129.05554	100.0
139.48018	0.5
142.61760	0.5
161.92851	0.5
181.64497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99122	0.6
57.03444	1.6
57.92725	0.7
58.00593	1.8
59.01375	100.0
71.01369	33.6
72.99306	4.6
75.80173	0.7
81.07080	1.6
83.01367	1.9
85.02942	8.7
87.00869	1.0
89.02430	35.4
91.05419	0.8
95.01364	1.9
96.96016	1.2
99.04500	8.8
101.02431	15.5
109.02959	1.9
113.02450	10.6
119.03488	12.6
120.35639	0.8
145.10103	0.8
145.30345	0.8
153.01912	4.9
161.04524	1.3
161.13339	17.6
169.02629	0.8
179.05612	6.1
187.11212	1.0
205.10483	1.5
205.12331	33.3
207.10182	1.2
223.13428	3.7
249.11304	47.9
267.12250	3.4
267.16046	1.6
350.07333	0.8
429.16922	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89724	0.7
57.03468	4.6
59.01384	100.0
68.79352	0.8
71.01382	16.7
72.99328	1.1
78.96711	0.8
83.01410	1.7
85.02977	4.4
87.00894	1.8
89.02446	15.9
95.01425	0.9
95.05099	0.8
96.96004	2.0
97.06599	2.0
99.33114	0.7
100.04260	0.8
101.02443	8.7
103.66633	0.7
104.68945	0.9
107.05041	7.4
113.02449	6.8
114.38992	0.8
119.03519	4.9
120.05824	4.2
121.61430	0.8
131.08636	0.9
135.04558	1.2
136.05408	1.0
140.12907	0.8
159.11801	1.0
161.04555	0.8
161.09729	7.8
161.13376	3.9
161.82518	0.7
163.11272	1.2
166.61191	0.8
180.04245	0.9
187.11324	10.5
189.09230	1.7
202.39908	0.7
203.10777	1.2
205.12331	3.1
207.10257	2.0
223.13426	32.3
249.11328	3.5
267.12390	26.3
267.15369	1.5
267.16379	1.0
321.04355	0.8
429.17194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01386	4.1
73.02963	0.4
85.02979	2.1
89.02464	4.8
96.96040	0.6
101.02439	2.2
113.02457	0.8
119.03562	0.7
155.94455	0.4
161.04498	0.5
161.14764	0.4
179.05659	0.8
211.28308	0.5
240.04544	0.5
282.61716	0.5
397.62302	0.5
429.21350	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97839	0.6
52.34339	0.6
58.00610	0.8
59.01384	100.0
59.79897	0.6
69.21495	0.9
71.01384	22.2
76.96439	0.7
83.01411	1.1
85.02965	5.1
89.02438	26.1
90.91064	0.9
95.01376	1.2
96.96017	1.6
99.04542	4.1
101.02452	8.2
109.02988	1.3
113.02456	10.5
119.03471	8.0
135.00856	0.8
137.09703	1.7
148.38448	0.7
153.01973	2.9
161.04514	0.8
161.13400	6.0
179.05588	2.9
205.12335	9.8
249.11337	16.2
250.90639	0.7
379.67911	0.8
429.17068	3.7
429.21484	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81556	0.9
54.83007	1.0
58.00602	1.8
59.01384	100.0
62.95201	0.9
66.74594	0.9
67.13116	1.0
71.01379	37.2
72.99313	1.8
78.58334	1.1
83.01399	1.5
85.02937	9.2
89.02442	45.4
95.01389	4.5
99.04526	10.3
101.02443	14.0
104.80672	1.1
111.04499	2.5
113.02460	14.7
119.03506	12.2
143.03438	1.4
161.04544	1.5
161.13362	14.3
179.05707	2.0
187.11340	2.7
205.12357	45.4
214.47482	1.2
249.11343	46.0
288.35471	1.5
429.17548	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	427.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22054	0.7
51.85206	0.5
53.06540	0.6
54.92847	0.6
55.01884	0.6
55.91832	0.6
57.03444	1.3
58.00598	1.5
59.01384	100.0
61.98836	1.2
69.03467	1.1
71.01378	13.7
72.99319	4.3
73.02964	1.3
75.00891	1.6
83.05048	0.7
85.02964	0.8
89.02438	30.1
91.15868	0.6
93.12876	0.7
95.05032	2.6
97.06557	1.1
99.00890	8.0
99.04517	0.8
109.06620	0.9
117.01944	24.7
117.02713	1.3
135.02979	1.0
135.08203	0.8
138.70415	0.7
150.28523	0.7
173.59918	0.7
178.00743	0.9
197.08209	0.8
199.09755	1.5
219.17651	1.4
237.18655	3.3
251.16618	2.8
256.34073	0.7
265.14499	0.8
334.05521	0.7
384.26645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
57.82876	1.3
59.01381	100.0
61.98832	8.3
72.27682	1.5
75.02979	1.4
78.52870	1.3
83.05047	2.4
87.04540	1.6
97.05592	1.4
112.31268	1.4
126.19072	1.5
127.07471	1.4
165.09264	1.8
167.10797	2.0
184.16925	1.9
193.16016	2.5
199.09824	2.1
313.25610	1.6
325.48392	1.7
440.94165	1.5
454.10742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93851	0.1
55.28883	0.1
59.01394	1.6
71.01379	1.9
73.02959	1.3
78.95911	0.2
79.95738	1.3
83.01380	0.3
85.02970	0.9
87.00865	0.2
89.02451	0.7
92.10120	0.5
96.96009	100.0
97.02956	0.1
97.95933	0.2
98.22587	0.1
98.95595	2.7
98.96259	0.2
98.96449	0.2
99.00869	0.2
101.02432	2.2
106.52704	0.1
113.02447	0.7
117.01974	0.4
125.02466	1.6
133.01427	0.7
133.05115	0.2
151.00377	0.2
152.91772	0.2
161.04526	0.7
169.01323	1.1
191.51610	0.1
232.87764	0.2
237.09821	1.1
330.84152	0.2
331.06772	1.8
331.62549	0.2
369.14035	3.4
425.91626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07304	0.2
59.01387	1.0
61.98840	0.2
71.01373	0.2
78.95902	3.4
79.95734	2.0
83.04927	0.2
88.98822	0.4
90.98586	0.3
96.96005	100.0
96.96893	5.2
98.95586	1.3
99.92669	0.2
101.02466	0.3
104.98460	0.2
107.11401	0.2
107.80907	0.2
110.86251	0.2
116.92875	0.4
122.15498	0.2
211.28539	0.2
223.04134	0.2
238.66040	0.2
296.25766	0.2
367.18811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34375	0.1
60.52964	0.1
64.15981	0.1
71.01381	0.2
76.88780	0.2
79.95739	1.3
85.02953	0.2
96.96016	100.0
107.98405	0.2
122.03747	2.4
123.04504	0.2
165.05247	0.2
191.55261	0.3
329.08786	0.9
361.57874	0.2
368.86426	0.2
385.13803	0.2
435.12671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.2
59.23075	0.5
60.99315	10.0
65.21767	0.4
67.71236	0.4
71.01402	1.0
85.02957	6.7
87.00897	1.2
88.78804	0.6
88.98804	55.4
93.03454	3.0
96.96008	7.2
111.04526	0.9
119.94743	0.6
127.04009	1.1
129.03696	0.5
145.02930	0.7
152.57137	0.5
173.04579	1.2
191.05626	100.0
254.05608	0.6
290.48184	0.5
313.57803	0.6
337.09357	17.5
381.17566	0.6
412.87048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74502	0.3
57.66594	0.4
59.01393	0.5
60.99310	18.1
64.54713	0.3
81.81139	0.4
85.02976	0.4
85.05105	0.4
88.98801	100.0
93.03455	2.8
93.27776	0.4
96.95998	0.6
102.67253	0.4
119.05023	0.9
163.03992	1.8
173.04596	4.4
175.90654	0.4
191.05627	9.8
337.09271	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82613	0.4
59.01391	100.0
73.41922	0.3
74.16281	0.3
78.90820	0.4
93.57284	0.3
95.55217	0.3
95.85398	0.4
120.75782	0.4
121.02964	39.3
169.88597	0.4
172.10556	0.6
221.15430	0.9
253.62367	0.4
265.14557	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	427.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.9
57.03452	1.8
59.01387	100.0
59.41894	1.3
62.33235	1.0
65.95393	1.1
69.15036	1.0
71.01389	22.9
73.02596	1.1
73.02940	8.8
73.64849	1.4
73.87753	1.3
83.01396	6.4
85.02946	13.7
89.02430	2.3
92.10168	3.1
99.00873	2.0
101.02450	34.5
113.02463	17.1
118.42278	1.2
131.03502	31.7
132.82986	1.2
159.03024	1.6
161.04562	12.0
235.11905	78.6
367.16037	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03450	2.0
59.01373	100.0
59.74690	0.7
64.67770	0.7
65.47319	0.8
71.01370	23.4
71.01729	1.4
73.02939	12.3
75.00864	1.1
80.79989	0.8
82.63297	0.7
83.01360	6.4
85.02938	14.9
87.71482	0.9
89.02432	2.2
95.01395	1.0
99.00876	4.2
101.02422	29.3
102.27218	0.8
113.02427	11.3
131.03481	27.2
159.02985	1.5
161.04579	8.9
169.24554	1.0
170.33173	1.0
197.20667	0.9
214.27824	0.8
235.11839	72.7
294.00793	0.9
304.53729	1.0
336.13260	0.8
367.16037	23.5
367.20020	2.2
368.31049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
59.01383	37.3
59.21970	0.8
59.62568	0.6
60.04704	0.7
60.20536	0.6
61.98835	0.9
70.27165	0.7
71.01393	5.5
73.02932	6.7
83.05021	1.1
85.02959	3.2
87.04518	1.3
87.87069	0.7
87.88953	0.7
87.91560	0.8
89.02448	1.8
95.10894	0.8
99.04522	12.8
101.02471	1.2
113.02461	3.8
117.01910	0.8
141.01714	4.6
189.55862	0.8
203.14456	10.1
221.15485	51.7
247.13455	1.3
265.14484	100.0
307.15692	2.2
427.19308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55870	0.4
57.03455	1.0
59.01384	100.0
71.01382	22.3
83.01414	0.9
85.02972	4.1
87.00870	0.7
89.02444	28.4
95.01375	1.0
96.96008	1.1
101.02444	9.3
113.02464	7.3
119.03494	8.7
121.40961	0.6
143.03497	2.3
161.04575	2.8
171.08136	1.0
179.05598	8.0
187.11293	18.8
203.14423	0.7
205.12349	1.1
233.95282	0.6
239.38249	0.7
253.01099	0.6
427.19849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
56.65955	1.3
59.01384	100.0
60.44793	1.1
61.98837	1.4
71.01385	6.6
83.05037	1.3
85.02960	2.6
89.02443	5.7
99.04513	17.5
101.02457	1.9
113.02438	2.0
119.03557	1.2
141.01701	26.3
161.23930	1.0
175.44595	1.1
203.14474	8.0
221.13474	2.0
221.15492	33.6
244.57298	1.1
250.10144	1.2
265.14468	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25938	0.6
59.01376	100.0
71.01368	27.6
72.99298	0.7
82.25109	0.7
83.01390	1.2
85.02956	4.0
87.00876	0.9
89.02425	35.5
92.10150	1.0
95.01422	0.8
101.02445	8.2
102.73280	0.7
113.02417	9.1
119.03476	12.5
125.63057	0.7
131.03381	1.0
143.03465	1.3
147.20564	0.7
161.04549	4.4
179.05586	12.1
187.11279	22.0
343.18796	0.8
413.38303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89286	0.3
55.02578	0.4
58.76834	0.4
59.01392	100.0
78.40847	0.4
78.70051	0.4
78.95909	2.1
83.05024	3.1
100.82815	0.4
103.55207	0.4
135.08183	1.0
147.04497	0.4
152.99583	2.2
155.10783	10.7
167.10838	0.9
179.07092	1.8
191.14584	0.5
196.71307	0.4
235.13402	0.5
249.01610	0.5
365.12692	1.9
389.19843	0.6
430.60333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79932	0.4
56.51990	0.4
57.03452	0.8
59.01386	100.0
61.98831	1.0
63.14480	0.5
70.69040	0.5
75.18551	0.5
83.05024	6.0
83.74882	0.5
92.10151	0.8
109.02930	0.5
130.30676	0.5
150.59029	0.5
153.66663	0.5
166.66084	0.5
168.48018	0.5
172.72781	0.6
179.10771	2.2
187.72134	0.6
203.99449	0.6
239.69711	0.6
246.60217	0.6
251.16718	0.6
268.85373	0.7
365.23111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86129	0.3
54.12768	0.2
59.01391	1.9
59.35680	0.2
60.99324	2.6
66.97976	0.2
68.20840	0.3
70.84393	0.2
71.01385	0.6
73.02950	0.2
77.98242	0.2
78.95901	0.3
79.95731	1.3
85.02980	2.2
85.76447	0.2
87.00861	0.3
88.98806	11.6
93.03442	0.6
96.96007	100.0
97.02932	0.3
101.02451	1.1
113.02454	0.4
121.02985	0.3
123.04512	1.6
125.02438	0.4
127.04005	0.4
137.02394	0.4
145.02972	0.3
161.04587	0.3
167.03482	4.4
173.04504	0.3
187.03975	0.4
189.05505	0.6
191.03571	1.7
191.05618	22.4
217.05138	0.5
232.03847	0.4
245.98718	0.3
249.13461	1.4
265.10764	0.4
280.95181	0.4
329.08749	0.7
337.09293	3.7
381.17944	1.9
452.04288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82488	0.2
59.01392	3.2
61.98832	0.4
71.01384	1.7
73.02959	0.4
75.70251	0.2
78.29352	0.2
78.95911	3.3
79.95736	1.5
80.78555	0.2
83.01369	0.4
85.02951	0.9
89.02425	0.3
95.09461	0.2
96.96008	100.0
96.96890	4.1
101.02415	2.2
113.02450	1.0
119.03470	0.2
123.04533	1.1
125.02434	0.3
161.04526	0.4
167.03497	3.8
201.69257	0.2
235.11842	3.2
329.08649	0.8
367.15671	1.6
420.44702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82979	0.5
57.03452	0.8
59.01386	16.4
61.98844	0.6
71.01401	1.5
79.95728	30.9
83.05034	0.7
85.02976	0.7
89.02444	1.3
95.95230	20.6
96.96004	100.0
97.06677	0.7
103.38166	0.6
110.97578	10.4
121.02962	1.3
122.03745	1.1
127.09209	0.6
141.95808	0.9
147.04483	2.4
151.00720	74.4
152.31389	0.6
161.09755	0.6
166.08316	0.6
194.03853	0.7
219.13898	4.4
235.95337	0.7
263.12946	1.3
284.50156	0.6
287.06320	0.9
330.14722	1.1
345.17261	1.1
365.13000	1.0
410.10367	2.5
425.12817	82.3
426.13480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1823
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
54.83217	1.3
57.03459	2.6
57.79420	1.2
59.01383	10.4
61.98843	3.8
64.83819	1.4
66.86433	1.3
67.34335	1.5
71.01385	9.0
83.05001	2.4
84.66324	1.5
85.02947	3.3
89.02455	1.4
89.17623	1.4
92.10817	3.4
95.05019	2.0
97.02955	10.3
105.07130	3.2
107.05017	3.7
108.05814	7.5
109.02956	7.9
109.06604	2.4
111.04531	7.0
113.02445	9.2
113.06078	7.6
119.08645	3.6
121.06603	2.2
122.03727	10.3
123.08158	7.6
125.06078	33.4
131.67619	1.7
135.04509	1.9
135.08176	2.1
136.05267	15.5
137.06100	9.0
137.09679	1.8
138.06866	17.0
139.07648	30.8
145.06538	3.0
148.05319	6.4
149.06071	3.8
151.07643	79.8
152.04778	8.7
152.08443	39.4
153.09195	10.5
159.11807	2.5
161.09705	8.6
163.07635	17.4
167.07076	3.5
172.67546	1.8
185.09688	2.0
186.10524	2.5
188.08487	3.3
189.05540	3.5
189.09219	8.7
201.12874	34.3
203.10745	18.0
204.11554	54.4
219.13925	77.6
219.16032	2.6
227.10703	2.5
228.11598	6.3
243.13881	9.3
245.11839	23.9
248.10391	1.7
263.12912	100.0
269.11655	1.8
287.13028	13.8
305.13977	11.0
352.38321	1.6
355.80042	1.4
425.19135	2.1
434.60898	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	425.1957
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
54.82742	6.4
57.03480	7.1
59.01390	78.4
61.98851	31.6
71.01375	8.8
84.01997	7.5
87.00906	8.2
96.96037	9.9
101.06090	33.6
125.61288	9.4
134.03745	10.9
135.15602	8.1
171.10292	58.7
188.34088	8.6
188.82701	8.1
189.42862	7.8
191.92818	9.3
402.69348	10.7
425.19452	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	425.1954
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
59.01403	71.4
76.97928	18.8
91.38037	16.1
96.95995	22.7
110.06811	17.2
149.65567	18.9
260.97964	18.7
277.04324	21.2
425.19388	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	425.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	6.4
57.03480	7.1
59.01390	78.4
61.98851	31.6
71.01375	8.8
84.01997	7.5
87.00906	8.2
96.96037	9.9
101.06090	33.6
125.61288	9.4
134.03745	10.9
135.15602	8.1
171.10292	58.7
188.34088	8.6
188.82701	8.1
189.42862	7.8
191.92818	9.3
402.69348	10.7
425.19452	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	425.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01376	100.0
65.32713	0.9
69.03471	1.2
71.01373	9.5
73.02933	9.7
79.69648	1.0
82.08295	0.8
83.01387	10.4
85.02966	6.0
89.02441	5.2
96.95979	2.2
100.00402	1.0
101.02402	6.7
107.75606	0.9
113.02449	13.2
119.03543	1.8
143.10805	8.0
144.03006	1.4
161.04541	4.0
174.57733	1.0
180.29649	0.9
203.12897	78.5
239.55177	0.9
245.13757	1.1
365.18268	2.0
379.16010	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	425.2187
Annotation	Sinulaflexiolide C
Peak:m/z	Relative Intensity
57.03451	7.8
59.01385	57.6
60.46890	1.2
61.98864	1.8
71.01403	2.2
71.05029	7.0
81.03473	8.5
83.05035	3.0
84.02132	1.6
86.09392	1.6
95.05037	10.1
97.02964	6.7
98.54897	1.5
99.04566	1.8
109.06597	2.5
110.03744	6.4
111.08156	2.0
113.06101	9.2
121.06621	3.4
123.08165	34.4
125.06100	6.6
133.08260	1.6
141.09245	7.3
142.02707	2.2
155.07184	2.4
161.09734	7.0
163.07559	2.0
177.12802	11.5
179.10809	22.6
195.13902	2.0
203.08351	1.6
223.09747	12.2
223.68114	1.8
226.09088	1.5
241.10648	2.3
259.20660	8.4
303.19632	8.8
321.20737	2.4
329.17639	8.7
340.43591	1.9
347.18774	32.2
365.19705	100.0
425.21472	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	425.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64032	0.6
56.32409	0.7
56.67100	0.6
59.01390	7.8
60.99328	1.1
65.41231	0.7
67.01919	3.9
69.03476	6.4
71.01410	1.6
74.80706	0.7
81.03475	3.8
83.01414	3.2
85.02965	1.2
85.93557	0.8
88.98810	9.1
95.01406	1.2
96.96025	1.8
97.02972	4.1
101.02428	1.0
107.01389	3.1
109.03041	2.9
111.00878	10.2
121.03038	0.8
123.00891	13.1
123.04556	1.4
124.01662	35.1
125.02448	85.5
135.04517	1.2
137.02434	5.0
149.99599	58.5
151.00424	1.7
151.04053	1.5
165.01918	1.0
168.00655	86.1
169.01431	6.7
226.68552	0.8
280.32013	0.8
313.05719	4.3
363.13895	0.9
407.06497	4.0
413.88477	0.8
425.07343	100.0
426.07465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
57.03454	1.0
59.01388	18.2
59.01681	0.8
60.25167	0.7
61.98849	0.9
64.72103	0.5
68.99580	0.6
70.06901	0.6
71.01374	7.8
73.02960	1.2
78.33502	0.6
79.95742	1.0
82.95453	0.9
83.01369	0.8
85.02957	2.4
89.02435	6.5
89.04672	0.7
96.96011	100.0
101.02443	5.0
113.02492	1.6
114.04236	0.7
117.05595	0.9
119.03491	1.1
120.96963	0.7
124.01703	1.1
158.75780	0.7
161.04604	1.0
179.05768	1.0
183.62839	0.8
203.12941	0.9
210.54138	0.8
218.66975	0.7
227.92999	0.7
327.10730	5.3
365.18307	8.4
425.16586	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	425.1284
Annotation	Mometasone
Peak:m/z	Relative Intensity
59.01391	4.3
61.98845	0.7
64.86572	0.6
72.95377	0.5
79.95734	31.3
79.96196	1.0
83.40951	0.7
95.95231	22.9
96.96005	100.0
97.12236	0.6
110.97581	9.3
115.36814	0.7
116.37718	0.6
121.02983	1.1
122.03763	1.2
151.00716	78.2
152.78203	0.6
184.40613	0.6
239.12703	0.6
287.05972	2.8
345.17114	1.4
410.10483	3.9
425.12854	97.4
426.13269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.7
61.98829	0.9
71.01398	1.6
89.02448	3.3
95.85543	0.9
98.02502	0.7
101.02453	1.9
109.06610	1.1
113.02477	3.8
117.39092	0.9
121.06628	1.1
139.07690	3.6
163.11302	6.8
181.12360	81.8
182.12709	1.0
201.14949	6.5
223.09695	1.0
225.11346	100.0
249.11357	3.6
251.17050	1.0
279.12332	1.0
352.10016	0.9
370.18103	0.9
387.16653	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	423.1797
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
54.49288	6.3
55.06034	6.6
59.01385	100.0
59.81396	6.9
64.35032	7.7
71.01391	18.5
81.63583	8.2
83.90910	6.8
89.02467	16.7
96.96051	13.6
103.80788	8.0
111.88360	7.8
116.89648	8.4
119.03551	9.3
122.03757	75.7
125.97464	8.0
138.47842	7.6
142.29663	7.7
182.93776	7.7
201.11507	10.0
314.97131	9.4
363.20282	9.5
423.18384	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49288	6.3
55.06034	6.6
59.01385	100.0
59.81396	6.9
64.35032	7.7
71.01391	18.5
81.63583	8.2
83.90910	6.8
89.02467	16.7
96.96051	13.6
103.80788	8.0
111.88360	7.8
116.89648	8.4
119.03551	9.3
122.03757	75.7
125.97464	8.0
138.47842	7.6
142.29663	7.7
182.93776	7.7
201.11507	10.0
314.97131	9.4
363.20282	9.5
423.18384	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1798
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
52.95867	10.0
54.54018	10.1
57.92956	9.6
59.01396	18.5
60.64412	10.5
61.98831	15.9
71.01379	12.1
74.42696	11.6
86.63548	12.5
100.08189	12.8
109.73287	13.7
118.76516	13.5
129.88745	11.4
157.81007	12.3
178.65549	13.6
276.05344	13.4
423.18054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98839	43.6
71.01400	10.2
72.99317	7.6
85.02937	9.2
88.98819	12.7
96.96025	10.8
116.01240	7.2
121.07918	7.7
149.65440	7.5
165.01944	8.4
187.78366	7.9
212.02444	7.9
217.05119	9.3
294.76044	8.5
423.21265	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99667	18.8
56.31290	14.2
59.01395	32.9
60.63338	14.3
64.35316	17.3
70.69254	17.2
79.39499	14.6
89.69228	17.8
105.83544	16.2
151.00343	19.4
181.94713	17.9
187.74884	17.3
194.14874	17.9
208.99150	26.7
251.30223	18.3
399.55936	17.8
423.18082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
53.99667	18.8
56.31290	14.2
59.01395	32.9
60.63338	14.3
64.35316	17.3
70.69254	17.2
79.39499	14.6
89.69228	17.8
105.83544	16.2
151.00343	19.4
181.94713	17.9
187.74884	17.3
194.14874	17.9
208.99150	26.7
251.30223	18.3
399.55936	17.8
423.18082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03457	1.1
59.01382	100.0
61.98826	1.1
71.01377	22.4
71.01762	1.0
72.99306	1.5
73.02948	6.7
78.87203	0.9
80.03468	0.8
81.18420	0.9
83.01409	1.9
85.02964	9.1
87.00874	1.5
89.02444	9.4
89.16417	0.9
92.10805	2.1
96.96009	6.9
99.00867	1.1
101.02445	12.5
113.02438	6.8
115.00375	1.5
116.92860	1.6
119.03522	3.6
125.02439	1.1
133.01410	2.0
135.04561	1.8
161.04578	4.9
169.01410	1.0
179.03415	2.0
201.11304	7.0
289.56625	0.9
363.16672	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1872
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
55.01896	0.9
57.03436	0.8
59.01376	100.0
61.19873	0.8
71.01369	21.7
72.99297	1.7
73.02940	6.0
78.81302	1.0
83.01382	2.0
85.02937	9.1
87.04496	1.1
88.98781	1.9
89.02435	16.6
95.01325	1.4
96.96005	1.6
101.02420	14.3
102.98534	1.4
110.17842	1.1
113.02421	9.0
119.03482	6.9
143.53278	1.0
168.07414	1.0
181.12332	1.8
183.10239	1.7
187.09782	1.3
201.11322	5.3
217.15932	0.9
225.11275	1.4
243.12424	15.6
258.79590	1.2
261.13525	2.1
291.14279	1.7
317.16190	1.7
363.16589	19.3
371.55341	1.1
423.18695	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58206	0.6
57.03446	1.0
59.01383	100.0
68.94420	0.8
71.01381	24.9
72.99316	1.7
73.02958	1.0
74.64963	0.8
76.57547	0.8
80.38255	0.8
83.01409	0.8
84.95135	3.1
85.02944	5.9
87.00877	1.7
87.04508	1.0
88.98804	1.0
89.02445	25.6
95.01407	0.8
96.95982	3.2
97.58651	0.8
99.00867	0.9
99.94695	0.8
100.33834	0.8
101.02437	17.6
113.02446	10.6
116.92890	0.9
119.03475	9.4
121.32357	0.9
134.03790	3.1
139.11310	5.3
140.63234	0.7
149.06107	0.9
151.00368	1.0
152.04889	0.8
161.06166	0.8
166.02672	1.7
167.07117	1.3
179.03484	1.0
179.05656	1.1
181.05072	4.1
181.12360	4.7
183.10265	3.7
199.13394	1.6
201.11424	6.4
209.59714	0.8
223.09613	0.9
225.11371	3.4
243.12361	18.8
253.48199	0.9
261.13498	2.0
271.06116	8.3
286.08426	4.8
301.10797	4.3
327.63968	0.8
327.94937	0.8
363.16583	6.4
405.17566	3.2
423.18771	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3273
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.82679	0.3
54.82989	0.4
74.69196	0.4
79.23811	0.4
81.89161	0.4
136.21109	0.4
185.97597	0.4
189.12856	0.8
190.98862	0.4
205.15997	100.0
206.16391	0.6
423.32761	43.7
424.33044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00622	0.6
59.01384	97.8
61.98835	1.3
64.50472	0.5
70.15801	0.5
71.01377	4.0
71.05013	1.3
73.02927	0.6
85.02969	1.2
87.04543	0.8
89.02456	1.1
90.92242	0.5
101.02456	1.2
113.02464	4.3
119.03506	1.0
135.11823	0.9
139.11285	2.4
155.10789	0.9
161.04517	1.1
165.95549	0.6
179.10786	7.5
193.08488	0.6
199.13422	100.0
200.13715	0.6
213.14987	2.7
223.09773	4.1
227.80948	0.5
241.14456	2.8
253.14365	0.6
265.10931	0.7
270.37027	0.5
328.31570	0.6
372.93082	0.5
374.18939	0.6
385.14636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70839	0.2
59.01406	0.2
60.12534	0.1
80.91698	0.8
81.81022	0.1
107.05062	0.2
147.08217	0.3
163.11296	100.0
164.11592	0.9
216.02522	0.2
229.07808	0.2
243.86345	0.2
318.88843	0.2
339.23352	44.7
340.23669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	25.8
58.69329	2.2
59.01389	84.5
63.89910	2.5
67.05507	2.5
69.03469	5.0
73.02985	3.0
74.70971	2.2
80.02673	24.0
81.03445	3.7
83.05040	11.6
85.02930	3.4
97.02971	2.8
97.06584	5.7
109.06606	6.7
111.08156	4.9
121.06590	6.4
122.03732	3.9
123.08146	100.0
123.08990	4.8
125.09712	4.4
129.50519	2.5
137.06108	4.4
137.09755	11.1
139.07687	3.8
139.11298	4.6
141.09225	13.4
149.09685	6.5
151.11282	6.7
153.12788	4.3
161.47491	2.5
163.11188	3.7
165.12968	4.5
167.07132	20.4
167.10780	12.4
168.74886	2.7
169.08727	21.6
169.12346	12.9
179.14421	6.0
185.11798	3.0
189.12820	4.3
191.14429	40.8
191.65855	3.2
193.12433	4.1
207.13943	15.3
207.17537	11.7
209.15511	13.5
215.07520	2.7
215.14713	3.3
233.15424	3.6
251.12802	6.6
251.16565	25.7
253.14372	3.2
403.24481	3.1
421.25836	29.6
421.29907	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66282	0.2
57.03448	0.3
59.01385	2.1
59.83851	0.2
61.98829	0.3
83.05042	0.2
86.64852	0.2
111.04502	0.3
123.08189	0.4
141.09183	0.4
147.97244	0.2
150.25804	0.2
167.10779	100.0
168.11142	2.0
168.23318	0.2
169.11298	0.3
185.08185	0.5
227.18050	0.2
241.26152	0.3
403.84552	0.3
421.26102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19072	73.9
57.15260	76.3
78.82987	100.0
80.82405	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82841	98.8
97.35177	74.4
98.38846	100.0
99.26364	67.7
120.85472	75.1
145.28397	76.1
314.79816	80.3
344.69260	90.5
436.39249	87.8
445.72336	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21903	1.3
57.03461	19.6
61.98852	1.6
78.23019	1.9
81.03493	2.0
83.01410	3.4
92.66833	2.0
103.23634	1.8
104.67714	1.8
107.01390	1.9
121.02946	2.7
121.49600	1.6
124.01630	1.9
125.00671	12.6
125.02442	97.1
145.03017	2.4
147.00925	2.7
149.02452	2.1
151.00357	11.0
152.01164	3.4
153.00179	34.4
153.01418	2.0
153.01907	2.2
155.01723	6.7
162.98508	2.3
165.00113	7.0
169.02930	3.4
171.04523	2.2
173.02463	16.0
174.03149	3.8
175.00436	12.9
175.03925	13.4
178.99863	7.2
179.01575	2.7
180.98097	2.5
180.99677	70.2
183.01241	2.7
183.04572	2.9
187.03987	16.1
190.98071	2.5
197.02403	3.9
198.03217	3.1
199.03925	6.1
203.01733	7.1
207.01230	57.1
208.99170	61.5
211.04018	12.9
212.04840	7.0
215.03590	13.7
216.04315	20.8
217.04971	2.9
227.03528	4.2
231.01215	44.6
232.99098	8.6
239.03508	7.0
240.04295	14.2
241.05090	10.2
245.02748	2.7
249.02283	44.4
255.03300	13.5
256.03915	3.2
273.02246	22.4
275.00217	3.1
283.02524	42.0
284.03278	4.1
285.04047	42.3
289.01782	3.6
297.00876	2.2
299.00284	3.0
317.01279	99.2
349.23669	2.0
385.36951	2.0
405.02905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82948	0.8
59.01387	18.6
64.34972	0.7
71.01396	5.4
72.99319	1.2
74.43378	0.6
79.95737	10.4
80.96501	0.8
85.02970	1.1
87.00884	1.1
89.02463	4.0
90.87355	0.7
92.10197	0.7
93.03476	1.0
96.96008	43.1
98.95598	20.6
98.96424	2.7
99.92599	1.1
101.02454	3.1
107.05059	0.8
113.02418	1.3
116.92861	13.3
117.05523	5.5
119.05026	100.0
135.04533	16.0
151.07620	0.9
163.04028	38.5
181.05075	17.7
199.00734	25.2
215.00237	16.7
223.08714	0.6
242.99765	2.9
261.00833	7.2
277.56256	0.7
313.13068	1.1
343.10251	2.7
423.06110	64.1
424.06488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85916	0.1
54.88297	0.1
57.03448	0.7
59.01390	0.7
73.02952	0.2
79.95747	1.6
85.02957	0.2
96.96011	100.0
98.95596	1.6
99.04512	0.3
101.02438	0.3
117.01947	0.3
126.93624	0.1
153.31915	0.2
163.06172	0.3
181.07172	1.3
206.71159	0.2
325.11511	0.4
335.97372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1305
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
53.44571	0.6
53.51061	0.5
54.77134	0.4
57.03478	0.5
58.22116	0.4
59.01375	3.8
60.75271	0.4
62.95551	0.5
71.01402	2.7
72.41264	0.4
76.43855	0.4
79.82652	0.5
81.03468	2.0
85.02970	2.8
89.02426	0.9
93.03465	0.7
95.01368	2.5
96.00092	0.5
101.02489	0.7
108.02178	100.0
109.02955	55.2
113.02392	0.6
118.50909	0.6
123.00863	1.2
125.06083	5.6
151.03923	0.6
152.01157	73.3
153.01936	14.5
163.03986	0.7
171.10182	0.8
201.15004	1.2
225.05559	3.6
289.07150	0.6
412.62747	0.6
423.13025	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15009	0.2
57.98183	0.2
59.01394	3.8
71.01389	0.3
78.95918	0.5
79.95727	1.9
89.02432	1.1
96.96008	100.0
116.92887	0.4
155.98839	1.1
167.07133	0.3
256.16534	0.3
267.82956	0.3
323.13531	1.2
329.12418	1.1
381.96265	0.3
430.71152	0.3
438.89624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1645
Annotation	Broussoflavonol F
Peak:m/z	Relative Intensity
57.52888	5.0
59.01385	60.6
61.98834	100.0
71.01400	8.9
72.70683	5.4
75.58929	5.3
87.00897	6.9
88.98817	25.2
91.40458	6.0
91.49326	5.9
92.10789	13.1
116.92860	38.5
130.48860	7.3
132.63025	6.5
179.03537	10.0
201.09599	41.0
259.06061	13.1
421.16107	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
58.16229	3.3
59.01389	3.4
70.74561	3.4
79.34737	3.6
113.57585	3.4
135.99525	3.8
139.79669	4.1
150.67888	4.2
154.78798	4.1
183.89172	3.5
200.82146	3.9
229.87999	4.3
421.16425	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	421.1635
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
54.15308	5.9
54.89455	7.1
59.01386	100.0
60.99307	6.8
61.98814	8.4
65.04176	7.5
68.64700	6.8
71.01394	19.4
71.82479	8.0
73.69646	7.3
82.19431	8.2
82.58741	7.0
88.98804	87.9
89.02453	36.5
96.96005	40.0
117.43528	9.0
119.03465	11.6
123.04564	10.6
151.00365	9.0
167.03462	62.7
191.03532	11.6
199.09779	13.1
306.22681	8.8
317.03458	12.0
329.08905	12.0
421.16336	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96981	1.7
59.01388	44.6
61.77422	1.7
63.94783	1.8
64.24580	1.6
71.01384	14.0
72.33688	1.8
73.02942	46.0
75.01328	1.9
80.66713	1.7
80.68362	1.9
80.82529	1.9
82.95425	18.5
83.71345	1.8
85.02946	4.7
89.02441	17.1
92.10056	2.2
100.04650	1.8
101.02440	7.6
105.07085	3.8
107.05020	3.8
113.02462	3.7
114.39883	2.0
123.08179	22.0
133.83536	2.1
167.07143	100.0
185.39949	2.2
197.11880	8.8
241.10872	56.5
259.11813	4.3
421.17252	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03418	1.0
58.00616	0.9
59.01377	54.9
64.19164	0.9
67.27007	0.9
69.66579	1.1
71.01373	18.3
72.99279	1.3
73.02937	61.8
73.03354	2.1
80.35960	0.9
83.01384	1.1
85.02945	4.9
89.02427	20.2
92.10072	1.7
96.52663	0.9
101.02422	10.3
105.07102	4.4
107.05042	1.9
113.02441	8.7
119.03497	4.8
121.06495	1.2
123.08154	27.4
167.07114	100.0
179.10721	6.8
197.11839	14.9
199.09766	1.0
223.09720	4.8
233.79272	1.0
241.10820	86.7
347.13385	1.3
421.17142	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03456	19.4
58.00603	1.8
59.01398	13.7
69.03458	38.7
71.05017	41.9
81.07111	3.1
85.06610	14.2
87.04530	2.4
94.04220	2.2
95.05033	10.3
97.02932	4.0
97.06599	24.1
99.08179	29.5
108.17842	2.1
123.08211	4.0
127.01604	2.2
135.08208	5.1
137.09712	10.1
139.11334	2.4
141.09229	4.1
149.09741	3.9
151.11284	14.9
153.09219	3.6
163.00371	10.3
165.09201	3.5
167.10753	4.1
169.12340	85.6
183.10187	2.6
189.16512	100.0
191.14481	9.1
203.14438	2.8
205.16006	40.5
223.17065	13.7
249.15092	5.4
251.16605	22.1
255.32480	2.9
267.16135	12.2
419.28091	58.7
420.28259	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	420.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.5
60.01719	2.1
61.01809	3.3
61.98837	100.0
78.34322	0.5
104.49390	0.5
105.42364	0.5
107.02253	0.4
114.46384	0.4
119.76817	0.5
179.71413	0.5
191.98447	0.5
196.50682	0.5
305.37991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25099	0.2
55.73997	0.2
57.03465	0.2
59.01392	1.1
71.01377	0.2
71.18523	0.2
73.02950	1.1
78.95929	0.2
79.95746	1.6
83.59172	0.2
84.18865	0.2
89.02460	0.3
89.09067	0.2
96.96014	100.0
98.95586	0.3
99.00879	0.2
99.04549	0.3
101.02422	0.2
117.01946	1.8
161.04466	0.2
175.93086	0.2
202.26564	0.2
249.18915	0.2
323.09656	0.3
441.31009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82368	0.9
53.00024	0.9
57.03447	1.1
59.01384	21.0
71.01402	5.6
73.02963	5.1
75.00854	1.6
78.97578	0.9
85.02972	1.7
89.02449	2.2
93.03450	4.5
96.96015	2.6
97.06579	2.3
101.02415	1.6
106.29126	1.1
113.02434	1.2
115.04007	1.5
116.92845	9.8
121.02945	5.2
127.07862	0.9
135.04529	7.0
137.06096	10.6
137.06987	1.2
137.09708	1.4
141.05618	1.1
149.02449	45.4
152.01160	5.6
163.04010	7.9
164.04788	45.6
165.01956	2.6
167.03448	1.3
169.05125	1.2
179.07141	17.7
181.08620	1.2
185.08255	2.5
193.01405	19.1
199.09767	5.0
201.09492	3.5
208.03804	43.8
223.06139	100.0
239.19292	1.0
259.11887	16.1
368.83243	1.0
385.11331	1.9
421.16544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	1.4
57.03469	14.2
57.54265	1.4
59.01386	9.2
69.03476	17.3
71.05033	22.9
75.04343	1.5
83.05052	3.3
85.02879	1.4
85.06615	8.4
95.05054	2.3
97.06596	14.7
99.08169	13.8
101.85673	1.7
111.08229	1.5
125.09711	3.3
137.09738	8.8
139.11285	10.2
140.89705	2.5
141.09262	3.2
146.34680	1.7
149.09660	6.0
151.11296	9.1
167.10793	3.7
169.10994	2.9
169.12352	52.2
183.10332	3.4
184.88666	6.9
189.16507	100.0
191.14470	2.3
205.15945	9.6
221.15474	2.5
223.17105	2.8
251.16542	29.2
358.86206	2.0
419.28207	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
59.01395	31.1
68.66051	4.6
69.03459	76.1
81.07080	10.2
83.05029	5.9
85.02966	27.6
88.12429	5.0
111.08190	6.2
125.09730	7.6
137.09740	20.7
139.11299	11.0
151.07645	12.8
151.11244	7.3
165.09242	13.4
167.10768	26.1
185.11887	32.9
185.13441	5.3
189.16434	12.2
191.14491	8.7
205.15991	65.1
207.17470	7.3
217.94757	5.2
248.13664	6.4
251.16544	22.5
269.17917	15.2
283.15524	6.1
319.53052	5.8
355.45511	7.3
401.27039	6.6
419.28140	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67667	0.4
53.15428	0.3
58.62471	0.3
59.01376	100.0
63.96383	0.4
69.03448	0.5
71.01383	3.0
73.02914	0.5
85.02934	0.8
85.06577	0.7
89.02422	3.4
95.65562	0.4
101.02404	0.6
111.08157	0.5
111.43788	0.5
113.02399	2.2
119.03490	0.5
127.57201	0.4
128.09648	0.4
150.05534	0.8
161.04536	0.9
197.11823	51.4
209.11931	0.5
239.12810	0.5
255.11327	0.6
269.04507	1.8
269.13980	0.8
359.17090	0.7
419.19046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15326	0.3
55.54831	0.3
57.03439	0.4
59.01390	5.4
60.42943	0.3
61.98846	1.6
83.05051	0.8
89.95078	0.4
91.51721	0.4
123.08256	0.4
155.52646	0.4
165.09216	100.0
166.09543	4.6
167.09810	2.0
178.86348	0.4
224.28532	0.4
247.87354	0.4
335.11032	0.4
419.24228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51321	0.1
58.36753	0.1
59.01390	0.6
66.81216	0.1
73.66477	0.1
78.78119	0.1
84.69508	0.1
94.87964	0.1
98.59362	0.1
127.33298	0.1
153.63058	0.1
155.61516	0.1
167.10776	100.0
168.11157	0.9
284.35196	0.1
352.99280	0.1
359.20499	0.1
433.88837	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65029	0.7
54.37946	0.7
55.01866	0.7
55.23887	0.8
59.01382	43.6
68.99564	7.2
71.01376	14.7
72.56249	0.8
75.67942	0.8
76.57961	0.8
78.95913	0.8
79.24671	0.7
79.95754	1.3
82.08468	0.7
83.01341	1.0
83.08237	0.9
85.02965	4.2
88.98788	8.9
89.02447	19.2
92.33988	0.9
95.01354	1.0
96.96002	100.0
98.95601	6.2
98.96399	1.1
101.02422	7.9
112.98553	6.1
113.02454	6.4
119.03458	7.3
119.18409	0.8
134.52979	0.8
142.85353	0.8
149.02448	1.5
164.04799	10.6
179.05646	3.3
179.07155	9.1
182.05782	1.1
359.13171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12796	0.5
57.03454	3.0
58.00591	1.1
59.01387	100.0
71.01387	25.4
71.41061	0.6
72.69912	0.6
72.99323	0.7
77.64186	0.6
85.02956	2.7
89.02444	27.8
97.06622	0.8
99.04523	9.4
101.02486	1.3
113.02460	0.8
129.04239	0.6
131.03506	0.7
165.12845	4.2
189.12837	1.6
207.13881	11.2
209.11865	31.8
225.14983	11.5
227.12975	0.9
251.13020	4.7
269.13995	62.8
278.38937	0.7
287.15314	0.8
298.84097	0.7
302.03339	0.8
345.47812	0.7
419.19293	76.4
420.19702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77329	0.6
57.03450	3.3
57.25275	0.7
59.01378	37.1
63.02391	9.4
64.35098	0.7
65.00318	10.4
71.01372	10.4
72.20627	0.6
83.01366	7.6
85.02943	1.7
87.00891	0.7
89.02425	8.7
92.10764	0.9
93.03465	1.6
99.04526	1.2
100.00769	0.7
101.02448	1.6
107.01395	16.7
111.00840	1.2
113.02528	1.2
116.92862	0.8
117.03426	2.0
119.05003	1.0
123.00866	2.0
124.01643	18.2
125.02419	10.1
127.07555	1.4
134.03725	6.4
135.04527	6.2
139.00378	3.7
141.01901	1.4
149.02480	0.9
150.05621	1.4
151.00362	49.4
152.01143	100.0
153.01620	0.9
159.04489	0.9
165.12903	0.7
169.01456	7.5
173.06046	0.9
177.05640	1.7
178.99841	72.2
180.00609	1.7
188.19635	0.8
197.11737	1.8
199.07793	1.0
207.13905	1.6
209.11819	6.6
225.05550	3.0
225.14980	1.5
251.12784	1.2
259.06104	7.4
269.04538	51.3
269.13919	15.2
270.04822	0.8
270.35278	0.9
281.09140	0.9
286.04773	6.3
287.05612	4.0
419.09845	59.8
419.19077	9.6
419.23007	8.7
420.09753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01382	100.0
61.98838	1.2
62.85331	0.7
71.01375	5.8
71.05019	13.0
72.99319	1.1
73.02949	1.5
74.69991	0.7
76.45175	0.7
85.02947	2.9
87.00893	1.4
89.02455	3.5
98.84644	0.7
99.32085	0.6
101.02456	3.7
109.02923	6.7
113.02453	4.3
116.92880	1.6
119.03522	0.8
121.02971	1.0
121.59595	0.8
121.92265	0.7
136.89612	0.7
153.01926	3.9
153.12840	5.3
197.11850	67.7
202.79312	0.8
213.09306	0.9
239.13022	1.2
315.08746	1.7
330.11157	0.8
345.13327	1.0
419.23111	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	419.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33544	0.3
54.08698	0.3
57.03447	0.7
59.01383	5.5
63.02397	8.3
63.02686	0.5
65.00327	10.8
71.01392	2.4
71.69164	0.4
73.45219	0.3
83.01390	8.5
89.02464	1.7
92.10760	0.5
93.03456	0.8
94.38251	0.4
94.98209	0.4
95.01377	0.6
96.02191	0.8
104.44344	0.4
107.01397	19.4
107.05083	0.4
111.00886	0.9
117.03482	3.2
119.05044	1.6
121.02929	0.6
123.00888	3.4
123.04513	0.6
124.01658	15.3
125.02446	9.1
133.02956	0.5
134.03743	6.9
135.04524	6.1
135.99303	0.4
139.00369	2.5
141.01926	0.9
149.02440	0.5
151.00377	53.7
152.01166	100.0
153.01520	0.5
159.04501	0.7
169.01437	5.2
169.06679	0.7
173.05995	1.0
177.05542	1.8
178.99867	66.3
179.82431	0.4
180.00644	7.0
181.06615	0.4
193.01479	0.6
196.05249	0.5
197.06100	0.9
201.05800	0.5
215.07243	0.6
225.05566	2.5
235.44167	0.4
241.05099	2.0
243.06738	0.9
259.06161	8.9
269.04584	47.2
286.04822	7.2
287.05609	4.3
325.05698	0.5
388.84445	0.4
419.09927	60.8
420.10553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0989
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
54.83180	0.9
57.03458	1.7
59.01390	24.7
61.66409	0.7
63.02413	6.5
63.61521	0.6
65.00331	10.9
70.91693	0.7
71.01370	6.4
83.01402	9.2
89.02444	6.0
93.03460	1.6
95.01398	0.9
99.00901	1.1
107.01403	16.5
111.00878	1.2
116.92843	1.4
117.03498	1.5
121.02975	1.2
123.00851	1.6
124.01675	15.4
125.02460	9.6
126.78181	0.8
127.07653	1.0
134.03726	5.9
135.04509	1.7
139.00359	3.3
139.69005	0.8
144.40906	0.8
150.05670	1.2
150.99335	1.0
151.00371	53.0
152.01161	100.0
154.17603	0.8
169.01427	10.7
178.99870	69.6
180.00607	5.1
185.60164	0.8
188.30222	0.9
197.11868	5.9
207.68904	0.9
209.11888	1.3
225.05626	3.0
239.16452	1.5
242.05838	1.0
243.06517	1.1
255.11478	1.2
259.06149	7.9
269.04562	44.7
269.14047	1.9
286.04922	6.6
287.05649	4.6
305.31381	1.0
392.94980	1.0
419.09906	55.3
419.23141	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	419.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76398	1.5
57.03456	3.1
58.98743	1.6
59.01383	2.6
60.25721	1.4
71.05017	3.0
87.50558	1.5
89.05007	1.6
92.10735	2.8
104.68855	1.8
108.02190	2.6
109.02952	2.2
141.42963	1.7
151.04012	31.0
161.09785	2.8
177.12846	31.7
196.14743	1.9
197.02220	3.7
219.54886	2.1
221.11871	100.0
228.57053	1.8
251.08258	2.1
257.08282	10.1
287.61334	2.3
289.54504	1.9
306.59372	1.7
438.18225	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	419.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82982	1.3
57.03453	2.1
58.00590	1.8
59.01385	100.0
59.28239	1.6
69.03485	1.5
71.01382	39.3
72.99310	3.9
73.02906	2.0
79.05542	2.7
82.69706	1.5
83.05054	6.1
84.08569	1.4
85.02958	9.7
86.59448	1.6
87.00857	2.1
89.02438	34.7
89.02934	2.0
91.56986	1.8
93.03455	3.4
95.01424	2.3
95.05070	2.6
96.96030	2.5
99.04526	9.5
101.02454	18.1
107.08657	15.6
109.82952	1.5
111.04553	1.6
113.02416	15.7
114.40176	1.7
119.03476	12.1
119.05001	2.7
133.10237	59.2
151.11285	8.5
163.04054	1.5
173.04552	6.3
174.57262	1.9
177.09216	99.1
179.05598	2.8
191.05571	6.1
195.10291	19.9
221.08217	46.6
239.09290	33.4
321.13678	1.7
359.07455	2.1
401.14612	49.1
419.15451	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02871	0.4
59.01385	100.0
63.95898	0.4
92.10770	1.6
110.76871	0.4
114.39868	0.5
192.83652	0.5
295.52768	0.5
311.26202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64564	0.3
59.01385	100.0
61.98846	0.3
71.37051	0.3
117.08522	0.4
125.19534	0.4
131.86176	0.4
134.93288	0.4
153.51723	0.4
211.63750	0.4
212.24350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3382
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
54.61174	0.8
57.16111	0.7
58.29908	1.0
87.25755	0.9
89.74258	0.8
101.21250	0.9
101.66101	0.8
107.05045	16.3
135.04526	100.0
148.05359	1.2
161.06097	5.4
162.06970	1.2
172.01039	1.0
202.30292	0.9
210.13885	1.1
255.23326	1.4
402.31381	10.4
417.33838	48.4
429.13937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83063	0.3
58.29031	0.3
59.01392	2.0
61.98833	100.0
65.03280	0.3
68.10786	0.3
71.01373	0.7
72.70340	0.3
73.04721	0.3
96.96029	0.6
123.04501	0.5
124.04834	0.4
134.03740	2.2
135.04021	2.2
149.06026	0.7
150.06404	0.4
173.53198	0.3
177.70934	0.3
181.04999	0.3
191.05598	1.4
192.06006	0.5
193.04900	0.5
194.05396	2.2
195.05508	0.7
196.05884	0.6
277.73651	0.3
314.73441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01970	0.4
59.01378	6.9
60.99298	18.7
64.98369	0.5
69.08510	0.5
71.01359	1.3
74.70982	0.6
85.02964	0.5
88.98791	100.0
89.02435	1.0
92.65702	0.7
93.03454	1.0
96.96015	1.0
101.02402	0.7
113.02473	0.9
117.03480	0.7
119.05009	2.6
123.04505	2.3
145.02957	4.8
163.03969	0.8
167.03452	5.3
167.07185	0.5
191.03647	0.6
191.05594	3.0
261.54907	0.6
329.08688	1.1
359.07574	6.2
381.17545	0.8
419.15079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0985
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
50.66748	0.2
59.01387	0.4
60.73328	0.2
63.52775	0.2
71.01366	0.2
77.08907	0.2
81.03447	0.5
93.03421	0.3
107.05022	0.3
108.02169	100.0
109.02955	14.3
110.34007	0.2
121.02950	3.6
123.04533	0.5
133.02927	0.6
135.04535	0.5
138.62660	0.2
151.04004	1.1
152.01149	42.4
153.01935	10.7
153.03108	0.3
163.03964	0.4
175.07379	0.3
242.05795	1.6
257.08133	1.2
419.09863	35.2
420.10336	0.4
427.66556	0.2
444.96472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0985
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
52.12673	0.5
53.78527	0.4
57.03452	2.0
59.01376	32.1
61.98824	0.8
62.29429	0.5
63.02390	11.2
65.00316	11.1
65.27908	0.5
68.99816	0.5
71.01374	8.8
73.02934	0.9
81.03478	0.7
83.01376	9.5
85.02938	1.9
85.06610	0.6
89.02431	6.9
93.03438	2.1
95.01377	2.1
96.02177	0.8
99.04521	0.7
101.02423	1.1
107.01377	19.5
108.41421	0.5
111.00877	2.7
113.02413	0.9
116.92856	0.9
117.03427	4.5
119.03549	0.6
123.00880	2.9
124.01640	17.2
125.02423	9.4
127.07591	0.7
130.04230	0.6
133.93088	0.5
134.03716	5.6
135.04503	5.5
139.00359	2.9
141.01926	2.1
146.07053	0.5
148.04066	0.6
149.02475	0.6
151.00363	56.3
152.01140	100.0
153.01843	0.9
169.01411	8.5
173.06047	1.0
177.05542	2.5
178.99847	69.8
180.00572	2.9
183.04527	0.7
193.01439	0.7
197.06070	0.9
197.11798	2.5
199.04059	0.6
201.05586	0.8
207.13939	0.7
209.11789	4.1
215.07158	0.6
225.05524	2.4
225.14929	0.8
233.86394	0.5
239.16475	0.6
241.05098	0.7
243.06689	0.9
259.06097	9.1
269.04550	49.8
269.13943	9.1
286.04822	5.7
287.05563	4.4
301.07825	0.6
419.09842	55.3
419.19067	6.7
419.22949	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	419.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12673	0.5
53.78527	0.4
57.03452	2.0
59.01376	32.1
61.98824	0.8
62.29429	0.5
63.02390	11.2
65.00316	11.1
65.27908	0.5
68.99816	0.5
71.01374	8.8
73.02934	0.9
81.03478	0.7
83.01376	9.5
85.02938	1.9
85.06610	0.6
89.02431	6.9
93.03438	2.1
95.01377	2.1
96.02177	0.8
99.04521	0.7
101.02423	1.1
107.01377	19.5
108.41421	0.5
111.00877	2.7
113.02413	0.9
116.92856	0.9
117.03427	4.5
119.03549	0.6
123.00880	2.9
124.01640	17.2
125.02423	9.4
127.07591	0.7
130.04230	0.6
133.93088	0.5
134.03716	5.6
135.04503	5.5
139.00359	2.9
141.01926	2.1
146.07053	0.5
148.04066	0.6
149.02475	0.6
151.00363	56.3
152.01140	100.0
153.01843	0.9
169.01411	8.5
173.06047	1.0
177.05542	2.5
178.99847	69.8
180.00572	2.9
183.04527	0.7
193.01439	0.7
197.06070	0.9
197.11798	2.5
199.04059	0.6
201.05586	0.8
207.13939	0.7
209.11789	4.1
215.07158	0.6
225.05524	2.4
225.14929	0.8
233.86394	0.5
239.16475	0.6
241.05098	0.7
243.06689	0.9
259.06097	9.1
269.04550	49.8
269.13943	9.1
286.04822	5.7
287.05563	4.4
301.07825	0.6
419.09842	55.3
419.19067	6.7
419.22949	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
56.80882	0.7
58.00597	2.0
59.01384	100.0
64.41489	0.8
71.01382	39.5
71.01778	1.8
72.99294	1.8
73.16776	0.9
79.05512	1.1
81.03455	0.9
83.01406	1.2
85.02946	8.6
87.00852	1.1
87.04507	1.5
89.02440	44.4
95.01378	1.8
99.04504	2.2
101.02432	16.8
113.02453	13.5
113.06098	8.1
119.03499	17.3
143.03514	1.1
146.07375	1.2
155.38292	0.9
159.08173	1.1
159.45834	0.9
161.09718	23.4
179.05623	4.7
193.12326	1.4
205.08638	3.4
223.09724	1.5
237.11351	23.7
270.11008	0.9
291.98227	1.1
417.17599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03445	0.8
58.00611	3.2
59.01382	100.0
71.01381	47.5
71.01776	1.3
71.67443	0.5
72.99323	3.7
73.02596	0.6
73.02966	4.2
83.01399	3.3
83.05044	0.7
85.02950	9.7
87.00896	1.0
88.38863	0.6
89.02439	57.5
95.01381	2.8
96.96011	11.1
96.96950	0.7
97.02932	0.7
99.00869	5.8
99.04549	0.7
99.92610	0.7
101.02434	25.3
113.02446	14.3
115.41599	0.6
116.92867	11.4
116.93616	1.2
119.03500	14.7
125.02492	0.8
131.03519	4.6
135.04573	0.8
143.03482	1.3
149.04561	9.4
153.01930	1.1
161.04614	1.2
176.08466	0.9
179.05652	3.8
188.94032	0.6
191.05632	3.4
194.09500	4.2
195.10303	0.9
222.08936	3.2
232.55325	0.7
237.11417	6.8
316.07953	0.8
417.13354	0.6
417.18045	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	417.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53043	0.4
59.01390	2.3
60.34076	0.3
63.51439	0.3
64.02505	0.3
68.31470	0.4
85.24474	0.3
91.79115	0.4
109.03780	0.4
115.66764	0.4
119.05013	0.6
133.87801	0.4
147.04539	100.0
148.04903	0.5
199.14529	0.4
236.98755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2288
Annotation	21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
57.03466	0.4
59.01383	100.0
61.98836	0.6
66.21140	0.4
75.18678	0.5
92.10799	0.9
97.96789	0.4
145.94379	0.4
151.11215	0.4
165.09265	0.5
417.26572	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	417.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37683	0.7
55.83236	0.8
57.03462	1.3
58.86892	0.8
59.01386	100.0
71.05038	1.4
83.05054	1.4
92.66190	1.0
98.27973	0.9
102.57098	1.0
121.02950	1.7
165.09178	4.6
231.17534	1.0
356.34317	0.9
417.26678	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	417.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03303	2.7
57.03457	8.1
59.01405	13.7
61.70756	2.8
77.94065	3.1
78.51384	3.3
103.42832	3.2
107.05031	17.1
114.29195	3.3
135.04527	100.0
145.06599	6.1
148.61845	3.2
149.09746	7.9
151.11342	23.8
159.08177	8.1
160.58537	3.3
161.06111	6.2
203.14418	54.1
221.15469	29.8
250.25407	3.7
251.12817	5.1
274.38437	3.9
376.69427	3.4
402.31226	13.0
417.33868	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.4
57.03469	1.3
58.00600	1.2
59.01386	100.0
62.74054	0.7
71.01383	45.7
71.91618	0.6
72.99332	2.9
73.02961	1.0
75.82755	0.6
82.04382	0.8
83.01405	0.8
85.02956	9.6
87.00864	0.8
87.04530	4.1
89.02444	47.0
90.94212	0.7
92.10735	1.4
95.01387	4.7
99.04505	11.1
101.02444	18.1
108.93256	0.8
113.02449	15.3
113.06095	11.1
119.03500	18.7
120.05796	0.9
123.96236	0.7
133.40634	0.7
143.03552	1.2
146.07402	2.7
159.08179	1.1
161.04576	3.2
161.09743	20.9
161.11053	0.8
179.05562	4.9
193.12387	4.1
197.43564	0.8
205.08749	1.2
216.64494	0.7
237.11357	41.0
304.92975	0.7
314.46432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01382	6.0
73.02969	1.9
73.21377	0.4
79.77273	0.4
83.01417	0.6
85.02961	3.0
88.98809	0.6
89.02437	0.6
96.96008	7.1
97.16364	0.4
99.00885	0.8
101.02442	2.6
102.98591	1.1
109.02956	0.4
113.02451	2.1
116.92864	0.5
121.02968	7.4
139.07678	0.5
159.03073	0.4
160.12303	0.4
161.04556	5.2
180.07928	20.8
188.77557	0.4
195.10294	13.6
242.38914	0.4
250.63449	0.5
352.58578	0.5
392.79169	0.5
417.13043	0.5
421.97977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25323	0.6
59.01386	100.0
67.05545	1.0
71.01395	5.9
71.05029	10.7
72.99317	0.8
73.02938	1.2
85.02962	1.6
86.51484	0.6
89.02458	3.5
92.10720	1.7
99.04559	1.5
101.02457	3.2
102.76362	0.8
113.02451	3.5
119.03500	1.5
151.11302	10.2
172.36580	0.7
177.09126	1.0
195.10295	50.1
197.19885	0.6
214.78854	0.7
227.03542	0.8
237.11345	1.0
255.03033	1.3
255.16013	1.4
266.05194	0.7
284.03250	1.1
417.21255	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	417.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90445	0.2
57.57899	0.2
59.01386	3.0
61.98842	1.6
64.63123	0.3
71.81800	0.2
74.53619	0.2
79.20228	0.3
81.21204	0.3
83.05033	0.4
85.02979	0.3
92.10194	0.3
97.06620	0.3
135.04486	0.3
151.36290	0.3
165.09212	100.0
166.09534	1.1
169.28056	0.3
174.45033	0.3
204.13045	0.3
226.84380	0.3
249.14899	0.4
251.15584	0.3
325.30615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86716	0.3
59.01381	2.8
60.01722	0.3
61.01814	0.4
61.98832	100.0
71.01370	0.6
79.95703	0.4
81.19198	0.4
88.04040	2.6
96.96004	16.2
98.95592	0.5
101.02431	0.6
146.08212	2.1
179.89009	0.4
218.10365	3.8
221.10313	0.5
222.10568	0.5
223.10896	0.4
401.35397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96067	1.7
58.00611	2.9
59.01382	48.4
61.98840	2.9
71.01400	3.0
71.20731	1.9
73.02950	12.1
74.99069	2.7
78.95937	2.6
85.02975	2.5
87.00885	2.9
88.98830	2.3
89.02424	3.4
96.96007	53.9
102.98576	2.4
113.26308	1.9
119.05053	2.4
123.04518	9.1
139.04022	5.0
145.02994	4.2
149.02444	59.1
149.06065	2.7
150.02142	3.9
150.03242	67.5
151.07649	22.9
162.03238	8.2
164.04808	27.4
165.05568	100.0
169.05107	4.5
177.05597	2.2
180.04370	2.2
195.06638	87.2
245.42998	2.2
327.10803	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	5.4
57.03476	1.9
58.00588	1.3
59.01384	100.0
59.73197	1.0
59.98533	0.9
64.28586	1.1
65.37424	0.9
71.01382	41.8
72.99319	2.4
80.86582	1.1
83.01399	2.0
83.12535	1.0
85.02952	7.3
87.00856	1.1
87.04522	4.6
89.02441	48.3
95.01389	2.0
99.04527	7.7
101.02443	18.4
113.02465	13.6
113.06115	6.6
119.03491	14.3
131.03525	1.2
139.31989	1.1
146.07462	1.5
161.09727	23.8
179.05646	2.8
193.12350	1.5
195.66101	1.2
199.06244	1.2
202.04410	1.0
237.11337	35.9
255.50615	1.3
273.41470	1.2
331.11487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08946	0.5
59.01389	19.2
61.98845	1.2
62.56409	0.4
71.01381	0.5
71.41450	0.6
92.10087	0.7
115.72157	0.5
121.10232	0.5
125.87275	0.6
127.87004	1.3
130.96049	0.5
147.04523	1.0
159.85976	1.2
162.83940	2.9
163.07646	100.0
164.08063	1.0
165.09206	14.2
185.11867	0.7
209.15466	1.1
228.85439	0.7
251.16487	2.5
333.16852	0.6
355.24731	0.6
380.00592	1.1
397.23785	0.7
415.25037	1.3
437.79846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.0
61.98846	3.1
82.64436	0.5
85.06569	0.6
97.44721	0.7
110.27089	0.6
125.87331	1.1
127.87050	3.0
157.86420	0.8
159.86024	1.1
160.84190	0.8
162.83917	2.6
163.07657	100.0
164.08018	0.7
165.09215	12.7
167.66118	0.7
181.64282	0.7
209.15591	1.5
248.90967	0.7
251.16505	3.3
253.14459	1.3
380.00555	2.8
415.24863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54148	0.8
57.03466	1.2
59.01389	6.2
63.29839	0.7
63.95380	0.8
68.99569	19.7
70.72270	0.9
71.01405	1.3
73.97781	0.9
82.41282	0.9
82.70366	1.1
88.80855	0.9
89.02483	1.1
91.04021	1.4
92.43053	0.9
106.50037	0.9
112.98560	16.2
128.86191	0.9
149.23972	1.0
153.09225	1.2
279.26962	100.0
280.27246	1.3
323.25977	41.0
341.27020	74.2
345.74557	1.0
371.11743	7.4
415.10617	5.8
415.25708	1.6
415.30688	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75134	0.3
58.67284	0.3
59.01386	100.0
59.96578	0.5
60.12694	0.3
61.86133	0.3
63.46615	0.3
67.48731	0.4
69.62917	0.4
85.69534	0.4
101.90075	0.4
127.91151	0.4
243.43373	0.5
331.77386	0.4
435.64478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	oscr#30
Peak:m/z	Relative Intensity
54.83192	1.1
57.03453	1.4
59.01379	2.1
70.52271	0.7
70.63516	0.7
71.01355	0.9
72.71939	0.9
75.55598	0.8
93.41315	0.8
108.40698	0.8
142.87326	0.9
187.89351	0.9
194.49278	1.0
215.85176	0.8
277.25244	1.5
279.26956	100.0
280.27335	1.1
297.27945	1.3
304.31451	0.8
323.25943	43.7
341.27002	81.9
342.27460	1.2
415.25742	1.8
415.30707	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78724	0.5
58.70408	0.6
59.01384	100.0
98.03735	0.9
125.09734	1.1
135.04497	1.2
151.07683	5.6
153.09244	10.1
177.09181	3.2
195.10330	5.2
219.13879	1.1
243.14056	0.9
337.34778	0.8
394.71133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32307	0.2
57.90865	0.2
58.94362	0.2
59.01394	1.5
61.98835	11.3
64.35091	0.2
67.01888	0.4
71.01384	0.5
81.93240	0.2
83.04987	0.3
85.02950	5.4
87.00854	1.8
92.10830	0.3
93.03471	2.9
101.12678	0.2
111.04521	0.4
127.04008	1.9
135.04526	1.1
161.02458	1.2
171.03018	0.3
173.04555	1.2
177.64923	0.2
179.03528	1.2
191.05629	100.0
192.06041	0.6
353.08856	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	415.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.7
57.03466	1.1
58.00615	1.9
59.01387	100.0
61.12066	0.7
66.72993	0.9
67.86997	0.7
69.03486	1.7
70.78057	0.8
71.01384	50.6
72.99323	2.1
73.02949	26.1
73.47536	0.7
73.87199	0.8
82.82848	0.8
83.01411	3.5
85.02969	7.4
87.00925	0.8
89.02446	92.1
92.10786	1.3
95.01394	0.9
96.96024	1.2
97.02963	1.2
99.00880	31.0
101.02449	29.9
113.02432	9.2
119.03516	5.9
125.02438	4.0
131.03513	11.4
140.57698	0.8
142.52403	0.8
149.04579	36.2
152.56927	0.8
161.02376	1.1
161.04611	3.3
163.07689	1.9
191.05634	9.8
193.05107	1.1
211.46254	1.0
221.06702	3.5
242.54745	0.9
251.07759	3.4
355.14005	1.8
379.19958	2.1
415.16058	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	16.4
57.03454	11.9
59.01375	79.7
59.01644	3.3
71.01376	86.4
72.99353	2.3
73.02942	39.2
81.03457	5.2
83.01372	34.8
85.02939	54.0
85.75371	2.6
89.02451	5.6
95.01407	9.7
95.05059	2.9
96.96035	3.1
97.02959	9.3
99.00888	17.4
99.04498	3.2
101.02424	82.0
113.02428	34.2
123.04529	3.4
125.02457	22.5
125.06118	2.5
153.99652	2.4
159.03018	4.7
161.04546	46.5
167.03477	22.1
177.22791	2.4
192.04239	2.9
221.15257	2.5
240.93233	3.5
269.10294	100.0
294.03360	2.7
295.08160	24.0
296.00220	2.6
325.09390	3.9
392.80835	2.6
415.16318	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98081	10.8
57.03462	10.7
59.01389	100.0
61.98832	22.9
63.15446	10.6
66.78245	10.1
66.80782	12.7
83.05000	10.5
89.12193	9.2
93.74039	9.3
106.00382	11.0
137.06073	16.3
153.29373	11.5
161.02495	16.4
162.83855	12.9
165.05504	10.6
165.09160	11.9
170.51549	12.0
195.64009	11.3
263.13004	16.6
327.23251	24.7
415.24948	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32583	0.6
57.03446	0.7
59.01384	1.6
60.96735	0.7
74.99113	5.2
77.00668	63.3
80.86184	0.7
83.45761	0.7
86.67900	0.8
89.61198	0.7
101.30041	0.8
110.37164	0.7
133.34163	0.8
147.08162	4.4
149.09659	1.1
158.93953	0.9
161.09743	0.8
163.11249	3.8
187.11226	3.4
265.12354	0.8
279.13968	0.9
280.14771	1.8
309.22192	3.3
337.21777	100.0
338.22324	1.2
406.52576	0.7
415.23080	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	415.2494
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
57.03466	1.4
59.01382	13.9
83.05034	1.5
85.06597	2.0
97.06594	2.1
98.96601	1.4
118.39362	1.3
127.99253	1.3
128.77821	1.3
135.04480	1.6
137.02437	3.1
137.06084	61.8
138.03244	11.3
147.04527	2.8
153.88753	1.4
159.04485	1.3
164.04715	1.9
165.05583	100.0
166.06163	2.4
175.07697	10.1
177.05617	1.4
178.06363	2.5
201.12909	2.6
207.82971	1.3
219.13873	2.0
230.09375	1.6
235.13306	2.0
245.11829	13.2
263.12924	69.3
264.13574	2.3
379.25351	1.7
415.24997	88.7
428.55548	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
63.25233	0.3
99.83846	0.3
121.02921	0.5
124.30106	0.3
134.03743	100.0
135.04041	0.5
137.02440	3.5
139.03999	0.6
147.04539	0.4
149.06088	28.2
158.61769	0.3
178.02724	20.8
193.05075	81.8
194.05347	0.6
222.42166	0.3
355.10425	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	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61311	0.6
59.01391	3.7
59.46672	0.7
66.04775	0.6
69.03471	4.9
71.01376	0.7
75.05947	0.6
81.03466	1.5
83.01394	2.9
85.02962	1.0
89.02443	1.0
95.01431	0.9
96.95979	0.7
97.02966	4.7
101.06083	3.3
101.16222	0.7
107.01386	3.7
107.02053	0.7
121.02985	1.0
123.00871	10.4
124.01669	30.6
125.02451	91.6
137.02423	1.5
145.02841	0.7
149.99602	54.0
151.00362	3.0
162.50719	0.7
168.00658	78.9
169.01443	7.9
169.71404	0.7
174.83752	0.7
198.48294	0.7
248.53375	0.7
314.61761	0.8
371.14819	0.7
397.11432	5.3
415.12540	100.0
416.12830	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	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.3
59.01390	4.5
62.44869	0.5
71.01366	1.0
78.27981	0.4
81.03430	3.5
83.01379	2.2
83.05038	3.8
83.29436	0.4
97.02911	0.6
109.79766	0.6
123.08138	2.6
125.02442	100.0
125.06082	14.6
149.02451	5.3
153.01982	1.3
174.85074	0.7
181.01440	9.7
196.03793	9.7
211.06137	7.2
217.14320	0.7
230.70805	0.5
253.07188	40.1
273.85120	0.5
404.05008	0.6
415.12482	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	415.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.0
60.99316	14.2
64.46436	2.5
71.01393	2.2
72.99330	14.4
73.02946	3.1
77.47105	2.1
84.95118	42.9
88.98798	100.0
93.03461	4.0
96.95997	19.7
111.04596	2.1
148.86690	2.3
154.78955	2.1
161.30170	2.1
173.04504	2.7
192.07910	3.7
271.02414	2.9
281.93243	2.6
299.02069	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	413.2189
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01893	7.2
57.03460	4.6
58.00611	1.4
59.01388	100.0
71.01385	39.9
72.44584	0.9
72.99330	4.1
73.02948	9.7
74.15773	1.1
75.04878	1.0
82.49331	1.0
83.01402	7.9
85.02952	20.6
89.02441	21.1
92.10114	1.0
95.01390	4.4
97.35577	1.0
99.00888	3.6
101.02438	30.7
109.57769	0.9
112.23334	0.9
113.02457	14.3
119.03470	8.7
203.70486	1.0
229.17490	1.0
339.14856	1.0
353.12897	1.7
413.21866	93.6
414.22031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
57.03460	3.0
58.35623	0.7
59.01385	100.0
71.01379	13.8
72.99332	0.6
73.02944	5.0
80.69276	0.6
83.01419	3.8
85.02958	8.1
87.00851	0.6
89.02487	3.9
95.01353	1.1
99.00914	1.1
101.02435	9.4
113.02457	6.0
119.03478	0.6
124.19416	0.6
134.67812	0.6
159.03004	0.9
161.04546	1.2
165.07468	1.0
183.08525	3.0
209.15453	2.8
213.51060	0.6
282.65424	0.7
316.52557	0.7
353.19940	1.1
371.20856	12.4
413.13010	2.7
413.21783	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	413.2185
Annotation	Tentoxin
Peak:m/z	Relative Intensity
54.77670	0.8
55.01894	4.5
57.03472	1.5
59.01385	51.7
71.01376	10.2
73.02949	5.0
83.01395	5.2
84.02507	0.9
85.02952	8.2
86.00098	1.3
89.02479	1.2
101.02451	9.3
113.02457	4.7
143.07172	1.1
160.89281	1.2
176.52698	0.9
208.65692	1.0
220.35016	1.1
251.16545	27.2
413.21872	100.0
414.22382	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	413.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50426	0.6
53.47323	0.5
57.32625	0.5
58.40688	0.5
58.67624	0.5
59.01387	100.0
60.86991	0.5
70.32983	0.6
75.62983	0.5
77.22585	0.6
85.36577	0.6
88.43342	0.5
97.20206	0.6
113.34260	0.6
143.06215	0.6
148.12239	0.6
176.21938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
71.85660	0.3
75.35181	0.3
87.86049	0.3
89.77319	0.3
109.36185	0.3
136.53261	0.3
137.20943	0.3
148.13095	0.3
163.04027	0.4
271.07126	0.4
300.80746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44844	0.2
70.97597	0.1
72.73564	0.1
78.95893	1.6
79.95729	1.8
96.96011	100.0
96.96886	2.6
98.95583	1.7
98.96399	0.2
115.07665	0.4
115.54644	0.2
119.51447	0.2
127.87318	0.2
145.87822	0.2
205.07219	0.3
206.92889	0.2
289.13831	0.2
295.84387	0.3
308.97266	0.2
310.83124	0.2
353.14493	0.3
389.84351	0.2
391.40057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67913	0.5
53.08846	0.7
53.65876	0.5
55.01886	1.5
57.03463	1.1
59.01387	100.0
68.95189	0.7
71.01390	20.0
73.02947	9.8
73.03233	0.6
83.01398	5.2
85.02963	12.2
88.34432	0.7
88.98839	1.0
89.02448	4.5
96.96001	5.9
98.09241	0.7
99.00875	4.6
101.02447	26.4
113.02454	13.1
125.02407	0.9
131.03502	26.1
132.92561	0.8
155.73990	0.7
159.02977	1.2
161.04582	8.3
221.10347	66.7
325.78784	0.8
353.14578	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.2
57.03445	2.5
59.01385	78.1
59.84238	1.2
64.19639	1.2
71.01381	35.1
72.99301	2.1
73.02950	7.2
75.39403	1.3
76.67550	1.5
83.01402	7.2
85.02951	16.6
89.02454	18.2
95.01385	3.6
99.00877	1.6
101.02447	25.8
108.02159	3.7
113.02457	11.3
119.03491	6.3
119.89319	1.7
127.68945	1.4
155.08267	6.9
187.96861	1.6
251.16562	2.0
413.21878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89024	20.2
53.10711	21.5
59.01386	55.7
61.58044	20.9
92.65582	26.3
102.43513	21.7
108.02163	31.5
113.68999	30.5
135.08151	100.0
152.01216	28.3
169.93898	25.2
256.81522	28.6
328.30420	26.9
336.60413	25.6
354.92886	27.7
411.18457	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	411.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96043	0.5
59.01384	100.0
59.64054	0.5
67.71540	0.7
92.10754	1.1
112.38843	0.6
127.93474	0.6
181.95819	0.7
241.11201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04240	1.2
56.76649	0.9
56.82959	1.0
59.01387	100.0
61.98807	1.0
70.74638	1.1
81.21896	1.1
103.19612	1.2
106.40694	1.1
175.18529	1.2
248.33154	1.6
254.22957	1.1
256.55518	1.1
339.88321	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	412.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68473	0.8
61.98834	100.0
65.00332	3.5
83.01379	1.0
85.25835	0.9
107.01416	6.1
109.02937	1.3
136.01659	4.7
147.00955	1.4
147.54855	1.0
148.24406	0.9
151.00397	23.0
152.01138	1.5
158.61346	0.8
169.01460	1.0
178.99860	14.7
190.53697	1.2
199.01468	0.9
199.04036	4.4
224.34563	1.0
227.03548	1.7
243.03073	3.8
255.03091	1.7
271.02545	30.9
272.03271	3.6
273.04108	1.1
299.01999	13.1
300.02756	18.9
301.03482	5.5
311.27377	1.0
331.04657	33.4
349.05786	13.3
410.37695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56016	0.2
54.08441	0.2
59.01397	0.2
60.42967	0.2
63.91413	0.2
67.37945	0.2
69.41122	0.2
73.75533	0.2
79.95742	1.8
96.96014	100.0
107.57390	0.2
108.02198	2.4
109.02969	0.4
133.01447	0.3
133.05275	0.2
142.80135	0.2
152.01207	2.2
153.01970	0.4
158.52440	0.2
176.91846	0.2
211.11638	0.2
211.60854	0.2
300.32266	0.2
315.07306	3.0
346.50394	0.2
375.72641	0.2
376.66495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.0
59.01385	99.7
70.70737	0.9
71.01384	40.4
72.99306	2.4
73.02958	1.2
83.01423	4.8
85.02947	12.9
89.02443	27.5
95.01399	4.6
101.02459	19.9
113.02455	14.1
119.03519	9.6
125.66673	1.1
130.04373	1.2
134.03888	1.3
146.03722	1.7
158.03712	1.1
158.09404	1.2
159.04491	4.6
160.40599	1.2
161.06100	1.4
172.05302	4.7
173.06110	13.5
187.04051	7.1
187.07651	34.9
189.08324	1.1
201.05589	15.4
202.06383	48.3
203.10706	2.1
213.09264	1.9
216.07877	2.5
228.59970	1.2
231.10272	50.7
248.12630	1.2
249.11423	1.2
281.15363	1.2
324.87381	1.1
411.16672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01386	71.6
61.18420	0.5
61.98844	1.0
68.41255	0.5
71.01385	8.5
73.02945	4.4
75.87202	0.5
78.74059	0.6
83.01385	4.4
85.02970	5.4
85.06592	100.0
89.02460	3.9
91.80232	0.7
95.01443	2.5
100.78246	0.6
101.02451	7.4
103.53013	0.6
113.02447	10.9
113.06094	21.8
115.04004	18.2
115.72834	0.5
119.03504	3.3
129.05577	8.0
131.03581	1.0
139.04053	1.1
157.05042	5.4
159.94046	0.5
160.66008	0.7
161.04562	3.2
169.53949	0.7
189.07703	22.0
221.06712	1.0
231.08676	0.9
267.21838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09577	0.7
54.12983	0.9
56.83231	0.5
57.03452	0.9
59.01387	55.1
59.05113	0.6
60.10640	0.6
61.89380	0.7
61.98858	0.7
66.39823	0.6
71.01385	7.9
72.99318	1.0
73.02946	12.4
74.99147	0.8
75.00888	0.9
80.91681	5.2
84.95160	3.0
85.02956	3.9
85.06591	100.0
87.00884	6.0
87.04517	17.3
89.02470	5.6
92.10770	1.0
95.01429	0.8
96.96021	1.0
101.02438	10.1
101.06071	1.3
102.53297	1.0
102.98619	1.2
113.02464	7.6
113.06082	9.9
115.04008	5.5
116.60499	0.8
119.03503	3.8
123.04519	3.9
129.05577	11.5
139.04024	1.5
157.46632	0.7
161.04539	1.7
166.36613	0.8
167.03523	9.4
167.98232	0.8
171.06691	1.1
189.07735	20.7
286.72043	0.8
326.80496	1.0
337.41422	0.9
411.13263	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	411.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52676	0.7
55.01912	0.8
58.60979	0.6
58.87015	0.7
59.01389	5.4
71.01382	10.4
72.99317	1.7
73.02952	12.8
75.00857	1.1
78.95898	1.8
79.95746	1.5
83.01386	1.9
85.02960	1.6
87.00904	1.0
89.02464	0.9
96.96010	100.0
96.96980	4.2
99.00879	12.1
105.46064	0.8
109.80243	0.8
111.00900	5.2
112.98822	26.6
115.00385	3.4
115.04075	0.8
116.92776	0.8
117.01931	16.6
124.98806	1.6
129.01938	3.6
142.98834	1.0
142.99879	17.8
145.01399	1.8
154.83673	0.7
154.84988	0.7
161.04538	0.7
173.00926	27.6
188.41539	0.9
205.03508	4.3
347.02539	0.9
398.04889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91799	0.7
52.28850	0.7
57.03468	8.8
59.01396	18.9
70.79082	0.8
71.01391	100.0
72.99316	36.5
78.95916	1.4
83.01411	0.9
85.02960	1.8
87.00880	47.4
89.02441	1.2
91.16545	0.9
92.10124	1.2
96.96015	62.5
98.95605	1.4
99.04488	1.2
103.04033	1.1
115.00372	21.9
116.92848	2.2
122.03710	6.5
129.01930	8.0
133.01459	2.1
134.03738	3.7
147.03015	67.2
147.06635	6.8
149.06094	2.0
161.04590	1.5
183.94136	0.9
185.85522	1.1
205.15987	1.0
391.99963	1.1
416.16931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.1
58.47055	0.8
59.01391	22.7
59.27977	1.1
59.35495	0.9
60.55506	0.9
62.96626	0.8
71.01392	100.0
72.99315	38.1
74.03815	0.9
76.04495	0.9
82.64233	1.0
85.02980	2.3
87.00884	53.1
96.96013	64.8
115.00378	21.7
115.01138	1.3
116.92869	2.0
121.82327	0.9
122.03726	1.6
129.01952	6.5
133.01448	4.2
144.04585	1.0
147.03011	75.7
147.06660	6.3
165.05565	1.5
186.75955	1.2
280.88260	1.2
355.26318	1.0
383.29187	1.1
412.99380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59305	0.7
51.73962	0.7
57.03448	5.9
57.31538	0.7
59.01385	100.0
73.20433	0.8
79.05655	0.8
80.05693	0.8
85.06595	1.9
127.07685	0.8
135.59998	0.8
155.10789	3.7
191.10767	0.9
192.11537	1.5
193.12355	1.2
224.10513	1.1
280.59695	0.8
316.05453	0.8
382.47339	0.8
410.63019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98830	100.0
62.86373	0.2
71.01388	0.5
71.36484	0.2
77.36315	0.3
89.02452	0.3
93.88832	0.3
108.02163	0.4
110.93021	0.3
113.02512	0.3
151.11301	2.1
152.01222	0.3
160.70494	0.3
195.10254	2.9
209.08173	0.3
210.08414	0.5
212.41679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.52146	1.0
71.01389	8.2
91.05545	2.5
100.21835	1.1
101.03963	25.1
117.03450	17.0
119.05021	56.8
141.09233	6.7
147.04527	52.5
163.04015	76.3
178.81990	1.0
224.24823	1.0
289.12787	1.5
349.13147	1.1
397.11505	1.3
409.16214	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	409.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10984	0.4
55.95990	0.4
59.01384	100.0
59.61673	0.4
59.62026	0.4
62.74414	0.4
65.13031	0.4
69.03436	0.4
93.58363	0.4
107.21632	0.5
147.04541	8.7
189.18069	0.5
236.36064	0.5
289.07755	0.7
409.22141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2001
Annotation	andiconin
Peak:m/z	Relative Intensity
59.01392	14.9
61.98823	100.0
67.83147	8.8
81.06095	8.7
92.10786	8.5
93.41982	9.2
157.08826	9.5
236.88748	9.6
409.20007	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	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83182	0.6
59.01392	100.0
61.98839	0.9
67.53194	0.5
71.01385	10.8
73.02949	1.1
76.71410	0.5
81.88524	0.5
82.95439	1.3
83.01404	1.0
85.02959	3.8
87.00892	0.7
88.98834	0.7
89.02450	14.9
95.01397	0.6
96.96006	18.9
101.02454	7.5
108.02190	2.3
113.02456	6.7
117.00334	0.5
119.03522	4.9
121.02940	1.1
122.03739	2.2
123.04544	2.3
125.02431	0.9
136.01604	0.8
139.84955	0.5
143.03474	1.2
149.02457	9.8
150.03247	17.7
161.04596	4.7
164.04800	1.4
165.05573	18.8
175.87947	0.5
178.02713	11.6
179.05605	6.6
180.04378	0.7
187.06113	0.8
193.05084	14.6
195.06586	3.0
200.80591	0.6
239.64250	0.7
258.65295	0.6
283.66052	0.5
286.08389	1.0
301.10858	1.3
349.15082	1.0
349.18793	12.5
361.12848	5.8
373.11459	3.4
398.96881	0.5
403.49451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78649	0.4
55.01895	0.6
58.00600	0.5
59.01386	100.0
59.98529	0.4
71.01381	22.8
72.99312	1.1
73.02940	0.9
73.66317	0.5
85.02968	5.4
87.00827	0.7
88.98804	1.2
89.02444	25.5
95.01387	0.9
96.96017	1.1
101.02438	11.0
109.72517	0.6
113.02459	9.8
114.40323	0.5
119.03495	8.8
123.00867	1.0
131.03514	1.1
143.03479	1.2
149.04550	1.0
152.06683	0.6
161.04543	3.8
179.05611	8.5
187.13408	0.9
279.84875	0.6
286.09973	0.5
349.18735	27.8
370.99728	0.5
409.20816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29708	0.4
57.03455	0.6
59.01385	100.0
60.91799	0.5
61.06235	0.4
78.54303	0.4
85.06601	0.5
92.10834	0.5
109.06599	0.8
111.08195	0.8
131.53708	0.5
135.22917	0.5
145.77980	0.4
151.01451	0.5
153.12880	0.6
165.09222	6.0
207.38130	0.5
296.12759	0.6
303.33923	0.5
316.14166	0.6
409.25897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.1
61.98848	1.4
89.68956	1.4
94.04257	3.2
120.05788	2.8
135.08163	100.0
162.56754	1.7
167.09456	1.4
167.10728	14.8
171.23302	1.7
211.09787	13.5
278.40018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01385	49.0
63.81618	1.0
69.03500	1.1
72.13706	1.0
83.05007	1.3
97.06597	5.2
114.83028	1.2
132.98204	2.2
137.09766	1.3
154.61127	1.2
167.10652	1.4
174.99263	5.4
181.08745	1.7
185.13387	9.7
187.11298	2.1
189.12836	1.7
191.14391	12.8
201.09293	2.6
207.17632	4.8
247.92896	1.4
261.08096	5.3
263.06027	1.5
265.07623	1.5
275.05997	1.9
277.07645	6.2
277.11310	1.2
290.04483	1.3
291.05612	1.8
301.07321	1.5
303.09180	8.2
305.10709	7.6
307.12357	2.6
315.09573	1.7
317.10788	1.7
319.12320	39.4
321.13913	7.4
323.15399	4.2
349.13373	100.0
351.10858	1.4
363.11261	5.6
409.14972	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	409.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.8
58.49856	0.5
59.01389	23.2
64.34977	0.6
69.00134	0.6
71.01408	0.6
76.25567	0.5
77.21856	0.7
92.10793	1.3
97.06583	1.1
111.08141	0.9
116.92873	0.9
122.52232	0.6
131.17839	0.6
132.98207	0.7
149.09700	1.3
157.73271	0.6
158.84665	0.7
174.99190	2.1
175.11314	1.4
185.13318	4.6
187.11276	0.9
189.12852	3.3
191.14424	21.0
198.73529	0.6
201.09175	0.7
207.17622	4.7
247.06599	0.7
249.08072	0.8
255.09099	1.5
261.08167	3.7
263.06076	2.3
263.09641	2.9
265.07538	0.8
275.05951	0.8
277.07669	2.7
277.11008	0.7
289.07516	0.6
291.09192	1.1
301.07489	1.0
303.09204	6.6
305.10709	9.6
307.12198	5.6
317.07050	1.0
317.10751	1.2
319.09180	0.7
319.12299	19.1
321.13843	1.0
349.13376	100.0
350.13669	0.8
363.11252	1.5
409.15387	4.4
426.43848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60551	0.7
57.03466	1.6
58.16476	0.7
58.79955	0.7
59.01385	89.8
61.98838	11.2
71.01381	11.2
71.05028	0.8
71.63790	0.9
83.05022	1.0
85.02953	1.3
92.66885	0.8
111.69643	0.9
117.03507	1.0
119.05061	2.8
122.94746	0.9
147.04539	100.0
163.04002	1.4
251.16592	3.5
274.45029	1.0
307.12253	1.3
349.10034	1.4
349.13391	31.0
409.15549	1.5
409.22205	0.9
415.18875	1.0
429.43060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03451	1.0
58.53548	0.6
59.01385	100.0
61.98841	0.9
67.50456	0.7
69.03443	2.7
71.01393	23.6
71.41997	0.8
72.99334	0.9
73.02964	5.6
74.94698	0.8
75.00899	3.5
83.01407	1.6
85.02970	10.7
85.06618	1.0
87.00907	1.5
87.04543	0.7
88.34361	0.7
89.02452	17.4
95.01388	2.9
101.02451	15.4
112.77348	0.7
113.02467	11.7
119.03494	8.6
121.02963	1.0
131.03465	1.0
142.70650	0.8
149.09724	0.9
150.03242	4.2
161.04581	8.8
167.10762	1.1
177.05547	0.8
179.05638	6.1
185.11856	1.4
190.37405	0.9
269.12967	1.4
347.17163	27.1
351.37515	0.8
407.13864	1.1
407.19003	1.7
415.46542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01384	100.0
66.16740	0.3
69.03461	1.9
71.01378	5.8
73.02938	4.4
80.77094	0.4
83.01392	2.2
85.02948	3.0
88.45082	0.3
89.02446	4.6
95.01371	0.7
101.02439	6.8
113.02454	8.9
119.03471	3.1
125.02396	0.5
125.06127	0.4
129.52872	0.3
138.18063	0.4
161.04529	2.5
165.09206	2.9
184.46239	0.3
185.11836	64.5
209.08205	10.0
220.34831	0.5
227.12816	1.7
228.95070	0.3
257.14029	0.7
371.13318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14109	2.3
55.31632	2.6
57.52881	2.2
67.01897	48.9
70.58412	2.4
93.03505	9.0
95.05032	100.0
135.53378	2.7
155.90080	2.4
162.86111	2.5
267.27057	17.5
363.32739	79.6
407.31641	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	408.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.4
61.98833	100.0
68.18295	0.3
92.10809	0.4
95.05019	1.8
147.04512	2.1
153.09225	1.6
197.08258	1.3
200.99503	0.4
241.46817	0.4
266.08069	0.4
390.63101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
62.55855	0.4
65.58675	0.3
67.01900	0.9
70.43696	0.4
73.72641	0.4
81.03468	0.8
85.07027	0.4
92.10775	1.7
98.34981	0.4
100.51031	0.4
108.02181	100.0
109.02972	18.6
111.00893	3.4
135.04498	0.4
151.04005	1.0
152.01158	49.5
153.01938	12.0
169.77689	0.4
175.04018	0.6
356.92050	0.5
409.07779	35.6
410.08539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	68.0
65.99846	2.1
70.45525	1.5
71.01373	11.8
78.83112	1.5
82.02990	14.3
83.01405	2.0
85.02970	6.4
88.78916	1.5
88.98818	2.7
89.02454	8.5
92.08845	1.4
92.10117	2.1
92.90749	1.6
93.03526	1.8
94.21999	1.4
101.02458	11.2
102.62402	1.6
102.98592	1.7
106.02977	1.7
109.02961	6.2
111.78585	1.7
113.02465	6.3
119.03506	1.8
119.94524	1.4
125.02488	1.8
137.02449	7.7
138.03226	1.6
146.03754	6.8
152.01180	41.6
153.01947	3.1
153.38081	1.7
160.07707	3.1
161.04634	2.3
161.06094	1.7
164.01192	1.9
164.03537	7.6
165.01927	10.7
166.02736	10.3
167.03516	21.4
174.05647	1.9
179.03549	14.6
179.05748	3.0
179.07133	2.4
181.05072	6.1
186.05685	3.4
188.07191	2.9
189.03136	3.1
189.06787	1.9
191.04810	2.1
202.08801	2.7
215.04633	2.6
216.05275	7.9
216.06863	7.1
216.10283	3.5
217.02582	3.2
217.06223	13.5
229.06158	15.0
230.03406	2.2
230.06862	2.6
231.07771	18.9
232.08501	6.6
241.06210	2.2
243.04128	28.9
243.07805	3.6
243.86758	1.6
244.04919	20.7
244.09814	17.4
245.09265	10.4
248.09322	2.7
256.04926	13.2
257.05685	21.6
258.06372	9.0
259.07248	45.7
259.10776	7.8
269.09360	2.9
271.07294	27.6
285.04306	3.2
285.08856	9.6
287.10419	82.5
288.08725	3.6
291.09741	15.1
313.08359	100.0
331.05502	1.8
331.09421	47.0
345.11002	7.9
347.17242	16.9
375.08417	20.5
407.10886	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76731	0.5
57.03451	3.1
59.01387	18.7
61.98850	2.9
62.45287	0.6
65.94878	0.6
66.47782	0.6
67.01913	0.7
68.32525	0.7
68.59798	0.8
69.03462	4.7
71.01382	1.4
72.99315	1.2
75.00878	1.5
81.03456	4.6
83.05022	1.3
85.02953	1.2
93.03497	1.0
94.93970	0.7
95.05027	1.0
97.02952	1.4
99.23282	0.7
107.05026	1.4
109.02956	5.2
112.98819	3.7
121.02948	1.4
121.06625	0.8
122.03778	3.8
123.04537	1.4
125.02469	1.7
127.04034	1.2
132.75577	0.7
135.02995	4.5
136.05257	0.8
137.02448	1.1
138.03236	7.2
142.99915	2.4
146.03700	1.6
147.04535	1.6
149.00972	1.2
150.03246	3.1
153.01981	1.7
155.10788	3.4
164.04790	1.4
166.02707	3.7
167.10783	2.6
173.00923	0.9
175.11304	2.8
180.04242	1.0
191.14375	1.0
194.02286	0.9
201.12888	0.8
203.14409	6.4
215.14493	5.0
217.16016	3.3
229.16013	4.8
231.13983	1.0
233.15536	5.7
241.16020	3.0
243.13976	4.6
245.15511	5.8
246.37442	0.7
249.15012	1.1
255.13846	1.6
257.15482	12.9
267.14026	1.4
271.13416	7.0
273.15030	9.5
285.15030	15.5
287.12857	1.4
301.14517	15.4
329.14014	100.0
330.14194	1.1
361.16699	19.6
389.16110	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	407.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83170	1.2
55.00077	1.1
55.01885	1.3
59.01383	67.5
61.98844	8.3
65.99875	1.6
71.01376	17.7
73.02962	2.7
82.02985	10.4
85.02962	7.2
87.00879	1.9
89.02431	13.5
97.06551	1.5
101.02425	14.7
105.66146	1.6
106.02972	2.0
113.02448	10.7
116.92866	12.6
119.03514	5.8
123.08156	5.3
132.04561	1.8
141.09241	12.4
146.03671	1.4
152.01149	3.3
160.07697	1.6
161.04607	5.4
162.05565	1.7
162.51437	1.3
164.03545	8.8
165.01926	2.3
167.03444	1.7
172.07718	1.9
174.05585	1.6
179.03516	1.6
179.05635	3.3
185.08194	7.3
186.05513	2.0
188.07224	8.0
191.04726	2.0
202.08783	6.7
214.05164	1.9
215.08276	1.8
216.05257	6.5
216.06857	5.1
216.10344	2.9
217.02600	7.0
217.06154	12.6
228.06903	1.4
229.06122	15.4
230.03392	2.4
230.06888	5.9
231.07774	16.4
232.08612	7.4
241.06200	2.4
242.03319	2.3
243.04152	22.9
243.07848	3.2
244.04881	21.8
244.09914	16.4
245.09338	7.7
248.09232	5.3
254.07140	1.8
256.04996	8.0
257.05685	27.4
258.06485	6.0
259.07242	58.2
259.10883	13.7
260.09390	1.8
269.09354	3.4
271.07272	30.2
272.07999	1.5
285.08878	6.9
287.10400	76.6
288.08783	8.0
291.09924	11.5
313.08371	100.0
331.09396	43.1
345.10947	7.0
347.17172	19.8
357.07645	1.6
375.08350	17.6
389.09903	2.4
407.10837	52.9
407.19238	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01383	21.6
61.98846	1.0
64.35123	0.7
69.03460	5.3
71.01394	0.9
72.99322	1.1
73.02963	0.8
75.00896	3.0
81.03474	4.2
83.01411	1.0
83.05016	0.9
85.02970	0.9
87.00871	0.8
92.46623	0.7
95.05046	0.8
97.02966	1.7
97.06672	0.7
107.05017	0.9
109.02953	7.4
111.08163	0.9
112.98829	3.0
121.02927	0.9
121.06538	0.7
122.03761	3.2
123.04514	0.9
125.02453	3.4
127.03973	0.9
135.03026	4.6
137.02435	0.8
138.03236	7.1
142.99879	1.2
146.03757	1.5
147.04565	1.1
150.03294	3.3
151.00435	0.8
153.01901	5.3
155.10765	1.0
160.61649	0.8
164.04829	1.1
166.02698	4.2
167.10751	2.9
173.00949	1.0
175.11278	1.2
180.04311	1.0
201.12994	0.8
203.14435	4.6
215.14461	6.6
217.16060	1.6
229.15993	4.2
231.13826	1.0
233.15472	4.6
241.16060	1.1
243.13947	4.5
245.15508	8.2
249.14932	0.9
255.14012	3.2
257.15555	9.9
258.12726	1.2
267.13907	1.5
271.13391	7.6
273.14978	9.4
285.14926	10.9
287.13171	1.2
301.14514	18.1
303.19699	1.0
325.09872	1.4
329.13995	100.0
330.14084	1.7
347.18713	1.3
361.16635	19.2
389.16138	12.0
407.13678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01384	5.7
59.15873	0.2
59.62394	0.2
59.73719	0.2
61.98833	0.5
66.82468	0.2
69.03454	0.2
83.05038	0.5
130.53868	0.2
138.91548	0.2
164.84201	0.2
167.10776	100.0
168.11124	1.2
189.12517	0.2
193.16002	0.6
237.14938	0.3
258.35385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.2
57.03482	0.2
59.01389	5.6
60.45087	0.2
71.01397	1.5
73.02951	2.7
80.41380	0.2
85.02946	0.7
89.02453	0.4
92.49799	0.2
97.06589	0.2
99.00872	1.6
99.92592	9.8
101.02456	0.9
113.02440	0.3
116.92867	100.0
117.01939	3.4
117.92881	1.1
161.04538	0.3
172.96559	0.2
176.32544	0.2
181.57722	0.2
185.08234	0.2
347.17108	2.4
391.76761	0.2
409.64627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20007	0.2
55.55837	0.2
59.01381	2.0
64.49805	0.2
71.01385	0.3
72.99316	0.4
78.95907	0.5
79.95741	1.4
83.93951	0.2
85.02958	1.2
86.22569	0.2
89.02453	0.4
96.96008	100.0
98.95599	1.5
101.02435	0.5
103.25030	0.2
113.67850	0.2
117.01914	0.3
129.01958	0.6
133.00984	0.2
153.98016	0.2
237.76164	0.2
309.11963	2.5
347.13492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61506	3.1
57.03446	6.7
59.01381	51.6
61.98826	4.5
78.47578	2.8
80.02700	3.7
84.56537	3.4
97.06570	6.7
107.05019	17.0
110.18876	3.6
111.04523	3.2
111.79729	3.6
123.08156	21.0
125.09694	3.9
127.07632	6.5
151.07570	3.7
158.64023	3.2
163.11330	6.8
167.10759	13.7
167.67557	3.1
169.12398	4.3
177.21117	4.6
191.14438	100.0
209.15460	22.8
211.18901	3.1
241.37755	3.9
253.14505	6.5
320.77591	3.3
376.48434	4.1
405.26257	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94862	0.2
53.22897	0.2
58.00619	0.4
59.70000	0.2
107.05138	0.3
120.05823	0.4
121.06537	0.3
137.09738	4.2
139.11317	1.3
147.08147	2.4
149.09741	9.0
153.12849	0.3
163.11311	6.7
167.10782	4.7
169.12375	4.3
175.11325	5.1
175.72249	0.3
179.14474	0.6
187.11230	2.2
189.12895	4.9
191.14445	100.0
192.14876	1.1
195.13904	0.6
205.12366	6.5
209.15526	2.0
217.12381	0.4
235.13419	10.9
287.57574	0.3
387.25552	2.3
405.26486	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	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10317	0.3
58.00596	0.6
58.07323	0.4
59.01397	0.4
78.57829	0.4
79.43537	0.4
85.17901	0.4
90.78211	0.4
96.02678	0.4
105.11159	0.4
121.06647	0.5
129.52151	0.4
129.87204	0.4
137.09741	2.9
139.11272	1.6
147.08173	2.3
149.09744	8.1
163.11281	7.1
167.10803	3.2
169.12349	4.9
175.11308	4.9
179.14357	0.5
179.74922	0.4
187.11290	2.3
189.12898	5.0
191.14439	100.0
192.14932	0.5
195.13861	0.9
196.21663	0.5
205.12390	7.7
209.15480	3.1
228.81784	0.5
235.13393	10.6
253.43532	0.5
308.63699	0.5
327.51007	0.5
387.25735	1.9
391.25464	0.5
405.26517	14.2
418.94385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34356	0.4
57.03456	0.5
58.00600	0.7
59.01382	5.5
80.02685	0.5
103.64034	0.5
123.08156	2.2
125.09724	0.8
137.09718	3.0
139.11295	1.1
147.08168	1.9
149.09744	8.4
151.11311	0.8
153.09128	0.6
163.11305	6.3
167.10817	5.3
169.12337	6.6
175.11269	5.9
187.11276	1.8
189.12846	6.0
191.14429	100.0
192.14807	0.7
195.13907	1.1
199.38736	0.5
205.12329	6.3
209.15472	8.4
223.13351	0.6
235.13406	10.4
361.27554	0.6
378.96899	0.5
387.25461	2.8
405.26254	10.7
408.35068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78723	0.7
57.03463	1.4
57.04728	0.7
59.01395	35.0
67.72498	0.7
71.01385	0.7
73.02948	1.5
73.51611	0.7
76.57707	0.8
92.66017	0.7
94.95901	0.8
102.37598	0.7
113.02457	1.4
139.11299	30.0
155.48561	0.8
159.21034	0.8
181.12361	17.1
183.10287	31.7
199.13445	11.4
225.11285	8.7
243.12393	100.0
244.12834	1.0
285.13400	1.8
314.20294	1.0
382.53888	1.1
405.17847	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19767	1.0
55.26413	1.3
55.47609	1.1
59.01387	52.0
68.37166	1.2
71.01398	19.1
73.02964	3.1
75.76918	1.4
85.02970	7.3
89.02450	17.9
95.01403	1.7
101.02441	10.4
109.39311	1.3
111.54419	1.4
113.02467	8.6
119.03492	2.7
122.36711	1.6
142.02820	1.4
148.23221	1.4
160.60376	1.6
163.11302	6.3
168.50627	1.4
174.69856	1.8
181.12318	32.6
199.07574	1.8
225.11345	100.0
238.54196	1.6
291.07541	1.5
405.17624	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90141	1.0
55.01878	1.2
57.03480	1.3
58.00613	1.4
59.01389	100.0
69.31312	1.0
71.01389	45.4
72.70918	1.0
72.99331	2.6
73.02945	1.5
77.13213	1.1
83.01421	1.8
85.02962	10.2
87.00859	1.0
89.02440	41.5
95.01415	1.9
99.04526	12.3
101.02432	19.2
113.02458	13.7
114.39180	1.1
119.03509	16.5
136.17264	1.2
143.03528	1.5
161.04483	1.8
179.05579	9.0
183.62213	1.3
225.14972	93.7
243.16069	1.4
254.75316	1.1
288.79596	1.2
405.21475	11.3
407.73444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83735	5.2
55.21178	5.0
59.01384	100.0
59.45711	4.7
71.01387	10.9
85.76452	5.8
89.02458	10.9
96.96045	7.4
98.99367	6.3
105.89169	6.1
108.02187	24.4
122.78835	7.5
123.04563	8.1
181.12262	10.7
183.10236	7.1
191.03519	49.3
191.33244	6.1
206.05882	52.1
207.14398	7.0
221.08177	64.3
225.11301	38.3
243.12312	9.2
334.42517	7.0
388.26379	7.3
405.17261	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1688
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
53.46791	22.2
59.01390	43.0
74.15968	24.4
75.00147	30.4
84.66546	22.7
96.08479	20.6
97.18119	23.0
101.92127	21.8
103.36071	22.8
106.91457	25.0
121.03017	24.7
130.38153	21.9
146.63547	30.8
405.16754	100.0
419.52832	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81658	0.6
51.94319	0.6
56.61415	0.7
59.01386	100.0
61.98837	3.0
63.82949	0.8
65.86882	0.7
69.03455	1.6
71.01389	4.2
71.05015	0.8
73.02952	11.1
75.00895	3.2
85.02945	1.6
85.06616	3.8
89.02441	3.1
97.02979	3.8
99.92594	0.9
101.02467	1.7
101.10249	0.7
105.08447	0.8
113.02460	3.1
116.92862	13.7
119.03517	1.3
125.09708	1.2
139.11298	5.1
169.08653	1.0
183.10272	42.7
225.11316	3.4
232.36885	0.8
242.03757	1.0
243.12436	9.9
267.07986	1.2
281.09332	4.9
293.09451	1.2
296.08267	0.9
311.10397	9.2
329.11545	1.7
345.15445	1.2
405.17374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40128	2.1
56.47843	2.1
59.01385	100.0
65.79520	2.2
71.01379	24.1
73.02941	3.8
85.02979	5.3
89.02433	23.2
92.10002	2.7
93.10088	2.3
101.02432	11.2
109.99795	2.8
113.02470	11.4
117.13438	2.4
119.03505	10.3
139.11299	27.3
145.37486	2.5
163.11327	3.7
164.89789	2.3
166.07079	2.6
171.29128	2.3
180.51210	2.5
181.12338	41.5
183.10220	27.0
199.05748	2.3
202.42879	2.2
225.11360	89.4
243.12370	91.3
405.17596	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
52.46980	0.4
53.15789	0.4
59.01381	7.1
61.98839	0.6
62.88009	0.5
65.00314	0.7
65.03971	3.9
67.01884	2.0
68.99798	0.6
71.01379	1.1
80.02672	0.8
82.19387	0.5
85.29482	0.4
91.01881	49.5
93.03488	0.6
101.26578	0.5
107.05038	4.7
108.02166	4.3
109.02941	27.6
113.79331	0.6
121.02943	2.3
130.36610	0.5
133.02982	1.0
135.00870	100.0
137.02422	5.0
137.93567	0.4
149.02448	1.0
151.98300	0.5
153.01930	62.5
161.02425	0.7
174.01750	0.7
175.03975	3.0
177.01889	0.9
197.06078	0.6
205.08655	0.7
225.05586	0.8
243.04269	0.7
243.06609	11.8
254.39418	0.5
286.97046	0.5
297.06174	9.3
405.11893	9.0
405.20853	0.6
420.12677	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	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.6
59.01386	70.8
60.52864	1.4
60.80423	1.3
60.99322	1.5
61.81840	1.4
68.83306	1.7
70.91570	1.5
71.01384	37.4
72.99319	18.3
73.02947	1.9
75.00878	2.4
76.40929	1.5
78.95898	2.1
79.59283	1.7
83.87048	1.4
85.02953	12.5
87.00890	6.9
87.96896	1.7
88.98833	9.7
89.02444	37.0
93.03481	9.6
95.01427	1.8
96.96013	100.0
96.96974	2.6
98.17028	1.7
98.95610	34.8
98.96401	4.0
99.00883	1.6
99.08137	3.7
101.02460	14.2
101.06089	14.1
111.00954	2.5
111.04510	3.3
113.02459	13.9
115.04022	3.5
115.07668	9.4
119.03506	15.9
135.04546	3.0
137.02451	4.0
141.01878	2.1
149.02444	17.2
151.04047	1.8
153.02000	1.9
163.24466	1.8
165.01950	3.7
173.04593	2.6
173.06079	2.0
177.01944	90.5
178.02713	1.9
179.03545	10.1
179.05415	1.6
180.04263	2.8
187.07903	2.0
189.09337	1.6
191.05623	23.6
192.04268	27.7
195.02959	7.0
195.06680	7.3
199.04221	7.4
207.06732	7.5
210.05342	6.8
216.05705	1.8
217.05276	27.6
217.08644	2.2
225.07668	10.0
225.09717	1.9
232.87636	2.0
287.05942	4.0
315.07501	3.5
315.12732	2.3
321.32019	1.9
331.12033	1.7
343.12057	8.5
345.11963	23.0
345.88120	1.6
368.16748	2.0
387.12726	2.6
405.12222	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78982	0.8
59.01393	62.6
59.01694	2.1
60.99319	17.1
61.35665	0.9
63.56516	1.1
66.66676	0.8
71.01406	5.9
72.00891	1.1
72.99317	15.4
74.02480	2.3
85.02961	1.8
88.98817	100.0
89.02464	6.1
91.00396	1.3
96.96018	30.0
101.02470	4.4
111.33504	1.0
113.02441	2.6
116.05067	9.4
119.03526	2.0
121.06608	2.3
149.09734	1.9
153.01942	3.9
153.05554	1.6
159.09285	1.7
161.04579	1.2
165.24828	1.1
167.10716	1.7
183.06624	11.0
203.08308	17.5
204.50609	1.1
207.28607	1.4
217.05334	1.4
405.12543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38860	0.5
57.03440	0.6
59.01384	19.4
64.34973	0.6
65.03969	2.7
67.01900	1.4
67.85914	0.5
68.99828	0.6
69.63000	0.6
70.86136	0.6
70.96352	0.6
71.01389	1.0
78.49619	0.5
80.02689	0.6
86.14454	0.6
91.01896	47.5
101.02480	1.2
107.05060	2.9
108.02196	4.6
109.02219	1.1
109.02963	28.0
121.02925	1.3
135.00891	100.0
135.96223	0.6
137.02441	3.0
149.02397	1.2
153.01949	60.5
161.02338	0.7
174.01735	1.3
175.04008	4.7
177.01930	2.5
181.06601	0.7
197.06036	1.3
243.06610	9.3
297.06219	10.2
364.18695	0.7
405.11938	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	403.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68492	1.8
55.13092	1.7
57.23270	2.0
59.01387	52.1
61.98841	3.8
67.16489	2.0
70.86893	2.0
76.58133	1.8
76.67027	1.8
90.72755	2.0
116.70204	2.3
121.02958	14.2
122.03267	2.6
126.44764	1.9
137.02486	2.0
138.03215	2.1
139.04057	2.3
161.26204	2.0
241.01440	4.8
256.03928	3.7
284.03354	8.2
294.05365	20.0
297.07684	10.1
299.05685	5.1
310.04816	8.0
325.07254	28.2
327.12457	9.1
336.79456	2.6
340.09595	75.1
341.14008	3.9
355.11923	100.0
370.14331	40.3
373.12744	20.1
373.17032	4.2
385.16626	48.9
388.15393	26.6
403.09567	2.5
403.17688	48.8
403.22778	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	403.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82977	56.0
61.98848	53.8
64.34795	49.9
77.58746	47.5
86.02631	54.8
119.02139	66.4
255.23232	100.0
263.61050	59.0
321.14694	67.9
340.18954	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85425	0.4
59.01389	7.0
61.98835	30.0
64.77288	0.4
70.45818	0.3
71.01395	2.7
85.02972	0.6
89.02441	3.4
93.03541	0.4
96.96015	1.8
101.02471	0.6
113.02464	0.7
119.03494	0.7
131.55949	0.4
132.02162	0.6
133.02962	22.3
135.04539	7.2
149.06120	0.6
161.02464	100.0
177.05547	0.6
179.03511	12.6
203.03551	2.0
221.04558	0.5
252.73962	0.4
281.06674	0.8
341.08838	34.0
388.96609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64630	0.2
52.15569	0.3
54.40631	0.3
61.98841	100.0
64.34710	0.3
71.92255	0.2
77.21661	0.3
95.69672	0.3
110.06780	0.4
137.30948	0.3
153.58380	0.3
164.42953	0.3
220.90060	0.3
228.91136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.26056	0.5
53.38757	0.5
54.99071	0.5
57.03465	4.1
59.01390	100.0
59.04202	0.5
71.01392	12.8
73.02978	1.1
76.66783	0.5
83.01427	1.2
83.05067	0.7
85.02970	3.6
87.00902	3.0
87.28770	0.6
89.02457	11.4
91.71179	0.5
95.01430	1.2
99.04538	1.0
101.02451	4.9
108.02197	3.3
109.02953	1.1
113.02477	4.8
114.70574	0.6
115.94514	0.7
119.03529	2.9
119.08667	3.6
121.06618	1.0
133.10245	1.6
135.08202	3.2
135.11807	0.9
137.09721	7.6
152.01158	2.4
161.09717	5.7
163.07651	1.2
168.76624	0.6
179.10802	5.8
181.08733	14.9
197.11856	52.7
223.09772	3.5
241.10840	81.3
242.11049	1.0
283.11957	2.8
343.14609	0.9
403.07184	0.8
403.16046	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42054	1.1
51.83906	1.1
57.03470	1.1
58.00607	2.6
59.01385	100.0
60.94289	1.2
71.01376	40.7
71.01709	2.2
72.99317	2.2
83.01379	1.7
85.02934	9.8
89.02441	35.9
99.04529	8.4
101.02421	16.0
104.43228	1.2
111.04554	2.0
113.02469	12.4
119.03507	12.6
124.05326	6.1
135.11780	2.7
161.09769	2.4
179.05623	3.1
179.10782	36.4
223.09792	72.7
403.16165	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46779	1.2
59.01377	100.0
59.72860	1.2
63.18355	1.1
71.01366	9.0
81.56523	1.2
85.02964	2.3
88.98796	1.9
94.50901	1.7
96.96004	14.0
98.95541	2.2
101.02390	1.7
105.85011	1.1
109.02969	9.3
113.02450	3.0
121.02903	1.8
121.04312	1.3
135.02960	2.1
161.04578	2.2
166.06339	20.2
181.08745	14.4
217.77399	1.1
245.98360	1.4
311.06567	1.3
367.16205	1.9
423.84930	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	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47882	1.2
55.70895	1.7
59.01390	100.0
60.24651	1.3
63.96153	1.4
64.36947	1.4
68.99566	1.8
71.01398	9.4
75.00898	3.1
78.22417	1.6
78.95927	2.0
85.02987	2.5
88.98821	2.6
89.02468	6.1
96.96008	24.9
101.02449	6.3
109.02961	12.7
111.16409	1.7
112.98611	1.6
113.02458	2.4
135.02974	3.2
148.31224	1.6
166.06383	19.6
180.07901	2.7
181.04961	1.5
181.08698	17.1
241.63354	1.7
336.15512	1.8
367.16095	7.4
403.14117	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	403.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43034	9.5
59.01382	100.0
60.52024	9.3
61.98855	41.7
70.42558	9.7
71.01400	17.7
81.06917	9.9
89.02477	14.8
179.10815	55.8
223.09769	54.1
239.69638	11.5
284.58521	13.6
339.08368	11.7
359.28180	12.1
403.15637	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43034	9.5
59.01382	100.0
60.52024	9.3
61.98855	41.7
70.42558	9.7
71.01400	17.7
81.06917	9.9
89.02477	14.8
179.10815	55.8
223.09769	54.1
239.69638	11.5
284.58521	13.6
339.08368	11.7
359.28180	12.1
403.15637	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62251	0.4
54.18000	0.4
55.01896	0.4
57.03470	0.6
59.01393	100.0
60.33751	0.3
66.49879	0.4
68.99586	14.7
69.70276	0.4
71.01396	8.2
73.02945	0.9
73.25062	0.4
78.95940	0.4
83.01376	0.8
85.02970	2.8
87.00866	0.5
89.02458	4.4
96.96034	3.2
99.00914	0.5
101.02434	3.4
109.02962	0.7
112.98575	11.5
113.02477	1.6
114.93393	1.1
119.03445	0.8
119.47799	0.4
119.48669	0.4
121.02966	4.0
122.49631	0.5
135.04561	0.9
159.02956	0.6
161.04613	4.2
163.88042	0.5
166.06375	21.2
167.07132	8.8
167.87984	0.4
181.08704	12.0
223.09743	1.8
329.12524	3.5
343.13962	0.5
403.16306	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	403.1251
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
52.96446	0.7
59.01384	100.0
61.98832	1.1
64.34660	1.0
69.03464	2.0
71.01389	5.0
72.99301	1.6
78.54819	0.9
78.95863	0.9
80.98742	1.1
81.03445	1.0
83.01373	1.1
84.81043	1.0
85.02941	2.4
87.00876	1.4
89.02479	1.2
92.10804	1.9
95.01390	2.4
96.96003	6.2
97.60038	0.9
98.95627	1.1
101.02412	1.7
107.01373	1.7
108.02180	5.0
109.02979	1.7
111.00867	2.1
111.51759	0.9
111.82862	1.1
113.02429	1.3
114.63195	1.0
116.92863	2.0
121.02946	1.4
123.00870	45.6
123.04519	1.1
124.01634	9.0
124.96977	1.0
125.02417	6.3
137.06039	1.1
138.03214	25.6
139.04034	13.2
149.02428	1.6
151.00357	5.8
152.01189	2.0
153.05565	7.2
161.04616	1.3
165.01904	2.0
166.02705	54.0
166.06378	4.9
166.99843	1.3
167.03458	5.0
181.05067	27.2
181.08664	5.3
182.00795	1.3
182.02148	6.8
195.06644	1.2
196.20338	1.1
197.04611	15.4
210.05290	1.3
211.06165	6.3
223.06137	6.5
240.06421	5.1
241.07231	5.4
265.98010	1.1
343.10355	10.9
360.72864	1.2
403.12241	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	403.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89880	4.2
59.01389	71.9
61.98832	7.5
71.01377	20.2
78.95923	20.0
82.41673	4.5
85.02943	4.8
88.18331	4.4
89.02448	8.6
90.36535	5.8
92.10124	9.3
95.01373	7.8
96.96008	81.8
101.02457	8.1
108.02199	42.3
108.30844	4.8
116.92889	9.6
119.03569	6.5
123.00893	91.5
123.04539	12.0
124.01662	9.8
128.20709	4.4
135.64743	5.6
138.03238	44.4
139.00407	18.5
139.04028	24.5
152.01173	100.0
161.04539	5.9
164.04887	5.8
165.01932	20.8
167.03490	92.9
169.01161	4.4
180.04337	5.2
193.01424	46.4
208.03796	64.4
223.06143	99.6
241.07217	5.9
311.94513	5.2
343.10272	6.0
355.88260	5.3
403.12296	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	403.138
Annotation	Flustramine H
Peak:m/z	Relative Intensity
54.18416	6.3
54.80133	6.9
59.01375	7.5
65.79779	6.3
70.52665	6.6
72.75983	6.1
96.96000	100.0
102.98592	35.8
164.24562	8.5
199.09799	18.2
348.99307	7.8
400.57816	7.9
403.13760	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	56.4
59.05443	1.6
71.01405	5.3
85.82380	1.9
89.02480	3.7
94.39710	2.0
99.74187	2.8
99.99654	2.0
101.02454	2.2
108.04570	2.8
113.13763	2.1
122.06136	13.7
130.03009	4.4
131.03775	2.4
131.96425	2.0
132.04544	39.4
146.02457	2.7
147.03259	4.1
150.05624	10.4
158.02469	13.2
160.04044	21.5
162.05637	4.9
163.06262	2.2
172.11394	2.5
174.05559	2.4
176.03554	18.1
176.07155	4.1
181.08723	4.8
190.05141	34.5
196.11383	3.0
201.53532	2.2
209.07314	2.9
211.08850	4.3
211.12485	13.7
212.05785	3.2
212.10823	3.8
213.06750	2.6
213.10550	2.3
215.11935	7.4
220.02617	3.3
223.08777	3.2
224.07475	3.0
224.09563	25.8
226.07527	3.8
227.08310	10.8
230.03873	2.1
239.08307	5.0
239.11960	47.0
240.10281	11.8
241.09900	16.8
250.07466	3.5
253.06223	51.4
255.07858	3.6
255.11481	13.5
256.08456	3.9
265.09836	3.9
266.07016	2.9
267.07849	4.7
268.08588	19.0
277.94165	2.2
281.09305	10.8
283.10922	92.6
309.08859	23.3
327.09924	100.0
359.12210	2.5
371.08911	87.0
403.06192	2.8
403.11493	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1377
Annotation	Flustramine H
Peak:m/z	Relative Intensity
54.17003	5.8
54.21898	5.0
58.11259	5.0
59.01381	70.8
61.98836	49.3
71.01390	11.9
77.18157	6.1
78.13540	5.7
78.95932	10.7
79.70586	5.8
85.02926	8.4
88.98870	6.8
92.66114	7.1
96.96016	100.0
150.06859	14.9
151.07657	9.3
161.02429	28.6
162.06877	39.3
163.07654	29.2
180.07909	69.9
181.08740	58.5
189.09283	6.3
218.62030	6.2
346.59711	6.9
367.16061	35.8
382.46002	7.2
385.15558	7.0
403.13605	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1375
Annotation	Flustramine H
Peak:m/z	Relative Intensity
59.01383	9.9
60.99285	4.9
61.98822	5.7
66.11709	4.3
66.24626	4.9
78.95912	8.7
88.98798	37.8
92.81091	4.4
93.81195	4.8
96.01269	5.2
96.95997	100.0
108.02140	8.8
109.36343	5.5
123.00887	20.5
152.01164	26.5
167.03471	26.7
208.03851	7.4
223.06026	7.9
274.83847	5.1
403.13409	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10158	0.1
59.35772	0.1
60.79001	0.1
69.05012	0.1
70.44350	0.1
78.91898	0.2
78.95907	1.5
79.95738	2.3
88.68065	0.1
94.67096	0.1
96.96009	100.0
148.01675	0.1
315.85910	0.1
329.32755	0.2
355.93420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
57.16765	1.7
59.01376	100.0
71.01370	17.9
73.02949	8.3
75.00889	2.6
82.87569	1.5
85.02945	2.3
87.00839	2.5
89.02453	12.0
95.04918	2.1
96.95993	2.3
98.95601	8.5
99.02674	1.9
113.02402	3.8
116.92848	16.0
122.06131	2.8
132.04539	11.8
137.09711	2.6
159.75046	2.0
160.03984	4.5
161.09656	2.5
176.03534	7.5
179.10732	7.5
181.05051	3.6
181.08690	13.3
182.33412	2.2
190.05107	10.4
196.07930	1.8
197.11833	40.0
208.52226	1.9
211.12337	3.0
224.09564	9.6
227.08174	2.4
239.11836	13.7
241.05048	2.5
241.10855	48.4
253.06133	15.1
255.11354	7.5
267.07788	4.4
268.08636	6.8
281.09164	3.1
283.10867	36.9
309.08789	11.4
327.09875	21.4
341.11191	2.2
371.08875	26.9
403.11423	50.0
403.15817	4.0
403.19785	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
57.16765	1.7
59.01376	100.0
71.01370	17.9
73.02949	8.3
75.00889	2.6
82.87569	1.5
85.02945	2.3
87.00839	2.5
89.02453	12.0
95.04918	2.1
96.95993	2.3
98.95601	8.5
99.02674	1.9
113.02402	3.8
116.92848	16.0
122.06131	2.8
132.04539	11.8
137.09711	2.6
159.75046	2.0
160.03984	4.5
161.09656	2.5
176.03534	7.5
179.10732	7.5
181.05051	3.6
181.08690	13.3
182.33412	2.2
190.05107	10.4
196.07930	1.8
197.11833	40.0
208.52226	1.9
211.12337	3.0
224.09564	9.6
227.08174	2.4
239.11836	13.7
241.05048	2.5
241.10855	48.4
253.06133	15.1
255.11354	7.5
267.07788	4.4
268.08636	6.8
281.09164	3.1
283.10867	36.9
309.08789	11.4
327.09875	21.4
341.11191	2.2
371.08875	26.9
403.11423	50.0
403.15817	4.0
403.19785	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	401.1819
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
54.97637	1.0
55.01891	5.4
57.03453	16.0
58.00605	2.2
59.01384	100.0
71.01377	54.3
72.99287	1.8
73.02957	9.0
74.99109	1.5
82.95432	2.9
83.01406	7.1
85.02940	23.4
89.02442	37.2
95.01415	5.0
96.96013	11.6
99.00913	3.0
101.02438	29.3
109.13715	1.4
111.05782	1.5
113.02466	19.6
118.05537	1.7
119.03474	12.1
131.03522	1.8
137.06166	2.3
151.00345	1.5
159.11781	12.4
161.04541	1.3
162.80356	1.3
177.12868	5.0
179.05620	2.4
221.11862	5.2
233.34631	1.3
341.10904	5.9
347.04324	1.8
401.13455	3.3
401.18210	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	12.7
57.03459	6.7
58.59701	0.9
59.01385	51.1
60.05981	0.8
71.01376	39.0
72.99292	1.5
73.02935	15.2
78.11838	0.9
78.28917	0.9
83.01376	13.4
84.22211	1.1
85.02943	25.5
86.00100	2.2
87.00882	2.1
89.02449	6.4
91.74258	0.9
95.01401	4.4
99.00894	4.5
101.00594	1.0
101.02428	36.1
109.86246	1.0
113.02438	12.2
119.03493	1.4
121.31950	1.0
129.00998	1.0
129.01985	1.1
146.93835	1.0
159.03064	1.1
161.04568	4.2
215.42606	1.0
337.96945	1.1
401.21841	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	401.27
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28186	2.7
69.03458	6.6
85.02496	2.9
92.96700	3.1
97.06580	12.8
116.92824	3.4
122.96473	3.3
145.00139	3.9
151.11250	7.8
189.16505	100.0
195.10194	3.7
222.22943	4.0
251.16496	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83039	0.5
61.98833	100.0
74.92316	0.4
90.38625	0.4
90.88696	0.4
107.23621	0.4
116.92912	0.5
156.41672	0.4
163.11296	9.1
164.98064	0.4
205.41862	0.5
249.33546	0.5
250.20726	0.4
280.21246	0.5
339.23373	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	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46030	0.9
57.03455	1.2
58.58596	0.9
59.01385	100.0
61.98833	13.6
71.01384	8.7
73.02939	2.1
76.88921	1.0
83.01389	1.6
85.02931	2.2
87.00896	1.3
88.53738	1.3
89.02430	8.6
93.03451	4.9
96.96000	21.0
98.63741	1.1
101.02433	6.5
104.65839	1.1
112.71570	1.1
113.02474	1.4
116.98875	1.3
119.03532	1.6
128.01144	1.1
135.04524	1.1
137.06075	1.9
143.10779	2.3
157.08678	1.9
163.03993	1.4
167.07143	21.2
173.04538	1.1
179.05643	1.8
191.05632	10.5
192.06013	5.8
193.08704	5.1
203.09312	5.3
203.12930	69.4
221.08241	4.6
259.30533	1.1
297.86227	1.3
320.92093	1.2
329.12488	8.7
338.09805	1.3
341.10986	5.8
356.47824	1.2
364.09015	1.1
383.13602	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.03804	1.4
58.00589	2.5
59.01393	100.0
62.60873	1.4
65.68668	1.4
68.22406	1.3
70.99568	1.5
71.01390	43.4
72.99289	1.6
73.02950	1.6
74.69118	1.4
75.00878	2.2
75.76600	1.5
83.01408	1.8
85.02959	8.5
89.02447	50.4
90.01463	1.8
96.95973	1.6
99.04523	36.1
99.79101	1.9
101.02460	7.5
113.02435	3.5
131.03438	2.0
141.70314	1.7
174.16191	1.8
189.12912	8.2
207.13948	40.3
238.08188	1.7
251.12921	88.3
341.10880	4.3
381.88562	1.9
397.30286	2.0
401.18127	70.8
401.22836	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	401.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02942	0.9
55.01910	2.4
57.03474	5.2
59.01394	79.1
71.01385	19.6
71.01712	1.0
73.02968	6.3
74.73515	1.1
83.01410	5.8
85.02964	7.7
87.00888	2.3
89.02448	11.4
95.01424	2.1
96.96010	27.2
96.96973	1.4
99.00923	2.5
101.02431	15.9
106.27573	1.0
113.02468	7.7
119.03506	2.6
122.03735	1.8
135.04584	1.3
143.03616	1.2
143.10783	5.5
143.90324	1.1
147.04562	1.7
149.06133	2.2
153.01843	1.1
167.07141	67.7
179.05685	1.4
193.08711	18.1
203.11137	2.7
203.12917	71.3
203.14861	2.3
221.08188	6.8
221.11841	1.7
223.09860	1.5
239.05594	1.9
296.32574	1.2
309.62372	1.3
329.12488	51.3
341.10617	4.0
343.98001	1.3
383.13547	100.0
401.10788	1.2
402.50861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35835	0.5
54.82661	0.5
59.01387	100.0
68.99572	1.1
71.01388	6.8
73.02958	0.8
76.19180	0.5
85.02969	2.6
89.02463	2.2
96.96012	8.3
97.08836	0.4
101.02449	4.4
104.88671	0.6
106.13560	0.5
111.04386	0.5
112.98563	0.8
113.02438	3.8
116.92728	0.6
117.72722	0.6
119.03478	0.6
139.24644	0.5
140.27248	0.5
141.64854	0.5
161.04575	5.3
164.04698	0.6
179.07159	9.2
181.13716	0.6
185.54153	0.5
190.99390	0.7
290.51669	0.6
341.10822	1.1
353.36630	0.8
401.18091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74281	0.2
59.01386	100.0
66.74019	0.2
69.21902	0.2
71.01386	1.7
72.99299	1.9
73.02953	0.4
73.98326	0.2
74.99107	1.9
76.02083	0.3
85.02974	0.4
89.02446	1.0
92.10145	0.3
95.05025	0.4
96.95998	2.1
99.00908	0.4
101.02427	0.5
106.04234	0.4
107.05056	0.3
111.04530	1.0
113.02433	1.0
119.04998	1.2
121.02952	0.4
125.02426	0.5
137.02402	0.4
137.06091	24.4
153.01880	0.3
161.04562	1.1
161.09755	1.1
167.03493	0.5
179.10834	2.5
212.08495	0.3
227.10730	0.3
239.09274	0.4
269.10361	0.4
281.10406	1.9
286.92706	0.3
311.11728	0.3
341.10880	0.3
401.12964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81461	1.0
59.01387	9.3
71.01394	6.2
73.02958	5.0
85.02936	4.1
87.00872	45.2
89.02440	4.0
92.10023	1.0
96.96004	100.0
101.02454	1.6
107.05058	1.2
109.02982	1.4
113.02426	1.3
121.02975	1.1
123.00908	4.0
135.04538	2.4
138.03229	1.4
149.02466	2.2
151.00375	3.7
153.05582	1.2
155.86926	1.0
161.02475	8.6
163.04030	19.1
164.04807	12.1
165.05554	5.0
166.02689	5.1
173.02434	1.8
175.03989	1.7
176.04802	12.0
177.01930	4.4
178.06340	15.4
179.03496	8.5
179.05663	2.3
179.07141	26.6
181.05040	6.4
187.04077	1.9
191.03535	17.6
191.07161	7.1
192.04187	1.4
193.05048	7.2
193.08662	1.8
194.05821	5.2
203.03531	7.6
204.04335	1.3
205.05043	8.2
206.05841	4.5
207.03038	1.6
207.06647	1.7
209.08208	8.9
218.05766	4.2
219.02972	4.1
221.04546	4.7
221.08177	4.1
234.05318	3.8
236.07053	1.6
237.07515	1.3
238.04750	1.0
247.02444	6.6
247.06175	2.4
249.07779	2.0
251.09467	1.0
262.04794	9.2
265.07205	43.1
277.07172	20.5
295.08279	36.5
296.08789	1.0
311.41071	1.1
341.10959	6.3
355.10349	11.1
383.09915	4.6
401.10947	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03445	1.7
59.01387	41.4
59.75063	1.0
61.98845	6.3
65.43307	1.0
68.89645	0.9
69.03489	1.0
71.01385	16.3
72.99316	1.3
73.02959	4.8
83.01420	2.8
85.02959	11.3
87.04543	1.2
89.02455	10.6
95.01398	2.8
96.95376	1.6
96.96013	49.6
96.96960	2.8
100.05524	1.2
101.02461	10.3
102.71131	1.1
103.04034	1.4
108.02186	100.0
109.02219	2.7
109.02966	79.1
113.02475	10.4
116.92822	1.3
119.03506	2.8
120.99674	1.8
121.02956	2.1
123.00930	1.7
123.04479	1.3
124.37551	1.2
135.04529	1.6
152.01166	81.3
153.01952	30.7
161.04576	1.7
179.05588	2.1
191.05591	1.4
201.11301	2.0
239.05664	4.7
246.28903	1.3
315.07288	2.6
341.10867	9.7
357.08362	4.8
363.16602	1.8
383.09839	7.6
401.10941	82.4
401.18561	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	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73127	3.4
55.01889	8.5
57.03448	8.4
58.00613	3.1
59.01386	71.0
69.03455	4.7
71.01383	100.0
73.02943	36.5
73.52700	3.5
79.19199	3.0
81.59777	3.7
83.01408	20.9
85.02956	56.0
85.82676	3.4
89.02464	15.5
95.01350	3.7
99.00894	15.4
101.02444	77.3
109.78586	3.5
111.86015	3.4
113.02457	39.6
115.03993	4.4
121.84304	3.8
125.02451	5.7
159.02966	7.9
161.04605	43.2
233.06673	4.0
237.10957	3.8
269.10358	88.1
367.69916	4.1
401.14352	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25925	0.7
53.63830	0.9
57.04739	0.8
59.01388	11.7
61.01509	1.0
69.03465	1.3
71.01384	27.6
73.02947	18.5
83.01438	1.5
85.02958	13.3
87.00875	77.4
89.02451	8.1
92.10207	1.2
96.96014	29.5
97.02929	2.2
98.95599	12.2
98.96471	1.6
101.02446	4.7
109.02968	5.9
113.02460	5.2
115.13245	1.0
119.03514	1.3
119.31757	1.0
123.00875	1.7
127.04017	2.3
131.03532	1.2
151.00407	15.8
161.02501	1.3
161.04512	1.2
161.05919	1.0
165.05579	1.3
166.02713	28.0
177.01991	1.8
177.69373	1.0
179.03458	2.3
179.07166	1.3
180.73842	1.0
181.05086	27.5
187.04109	1.1
192.04271	1.2
194.05893	2.2
201.02133	1.0
207.06729	1.1
209.08203	2.0
219.03061	2.2
231.03015	1.2
234.05315	2.1
249.07710	5.1
341.10974	7.1
343.20621	1.0
401.10950	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64283	1.4
59.01381	31.8
62.21270	1.4
68.99828	1.9
69.03480	1.5
71.01375	26.7
72.99297	2.3
73.02957	10.8
81.03470	1.7
81.91326	1.9
85.02953	12.2
87.00875	91.4
89.02435	22.7
96.96007	63.1
96.96954	2.1
98.95605	7.1
101.02422	12.9
109.02947	2.3
111.00929	2.6
113.02457	12.8
119.03455	7.7
131.03513	1.9
137.02492	2.3
143.03418	1.9
149.02484	7.3
150.80995	1.7
151.00378	6.5
151.03979	2.1
161.02396	7.1
161.04494	2.2
163.04028	3.4
164.04822	34.1
165.05602	11.9
166.02710	19.0
176.04851	3.0
177.01958	7.7
178.02753	2.5
178.06371	2.0
179.03531	28.2
179.05736	4.7
179.07141	62.6
181.05084	16.9
181.06520	1.7
187.03964	2.4
191.03545	3.7
192.04297	6.2
193.05032	13.3
194.05878	21.3
203.03465	2.1
204.04250	2.9
207.06735	3.5
207.18430	1.7
209.08223	27.2
219.02986	2.8
220.03793	2.0
231.03012	3.1
234.05455	2.8
237.07710	9.3
246.05576	1.8
261.07593	2.7
265.07202	94.4
325.09528	22.2
341.11038	30.4
344.13660	1.6
386.19772	1.8
401.10941	100.0
415.87970	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	30.5
61.18973	0.6
70.12506	0.6
71.01392	7.1
72.99316	15.7
73.02954	1.2
74.57076	0.6
75.00873	6.4
75.81681	0.6
75.94770	0.7
78.95901	0.9
79.95753	0.6
85.02981	1.4
87.00864	0.9
89.02438	8.6
96.96007	42.1
96.97015	2.5
101.02450	3.5
102.97721	0.7
109.02960	1.6
113.02446	1.5
117.45528	0.7
119.03505	1.4
119.12589	0.7
121.02936	0.8
129.02011	0.7
131.05008	1.4
134.03741	100.0
135.02988	7.0
135.04445	0.7
137.02441	4.8
146.03708	5.2
149.02402	1.0
149.06082	39.7
151.00288	2.7
153.01959	1.0
161.02455	1.7
161.06052	1.2
163.04059	1.1
164.04776	4.7
166.02733	5.0
176.04771	3.6
177.01910	3.8
177.05612	0.9
178.02728	22.6
179.03564	1.0
179.05667	2.0
179.07117	12.1
181.05064	8.7
191.03584	1.1
192.04317	3.3
193.05077	77.4
194.05579	1.0
207.06654	0.9
235.06140	1.2
247.14336	0.7
265.07263	0.8
282.82205	0.8
283.08157	1.2
341.10898	7.1
355.10455	1.4
401.10925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38683	0.5
59.01399	1.5
60.99326	1.4
61.98834	98.6
67.01909	4.3
69.03462	1.1
71.01395	1.1
81.03439	0.7
85.02939	6.2
87.00865	8.6
93.03458	28.5
96.96006	1.0
99.04514	0.7
109.03039	0.7
111.04513	5.0
119.05034	11.9
135.73621	0.6
145.02997	1.2
145.29404	0.7
155.03485	0.7
163.04002	11.9
171.02991	0.7
173.04561	13.1
191.05630	100.0
207.54987	0.7
209.37820	0.8
337.09375	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	400.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40284	0.2
58.75608	0.2
59.01373	1.8
61.98830	5.6
62.81925	0.2
67.01892	0.3
69.03471	0.3
71.01382	0.8
73.86204	0.2
83.05029	0.3
85.02951	7.5
85.03452	0.3
85.36360	0.2
87.00880	1.5
93.03457	3.6
99.04514	0.3
109.02989	0.3
110.22695	0.2
111.04514	1.2
119.04991	1.5
120.05351	0.3
127.04015	2.2
145.02992	1.7
146.73763	0.2
163.04068	1.4
171.02948	0.3
173.04529	1.9
176.33176	0.2
191.05624	100.0
192.05969	0.4
323.27969	0.2
337.09344	12.9
415.92844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10723	0.5
56.09161	0.6
59.01393	2.7
59.05939	0.6
61.98833	100.0
75.85066	0.6
96.96016	8.3
107.10544	0.7
135.12544	0.7
144.21838	0.7
149.00748	0.8
149.15706	0.7
289.49368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94877	87.2
63.48753	100.0
69.97803	88.2
108.21657	94.4
109.29885	84.6
111.16656	84.8
195.69135	97.2
397.55212	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87469	1.7
55.01892	4.5
57.03457	34.6
59.01387	72.7
65.03964	16.7
65.15519	2.1
66.31073	1.9
71.01383	27.8
71.22269	2.2
81.03452	32.8
83.01408	16.8
83.05029	100.0
85.02963	14.2
89.02433	21.5
92.14384	1.9
95.01339	2.1
96.96023	9.0
99.00883	12.8
99.04525	9.1
101.02429	12.8
105.07112	3.3
109.02992	4.1
113.02451	4.8
117.03477	4.1
119.03522	4.5
119.05019	14.8
127.00379	94.6
127.04019	28.2
137.02469	26.4
145.02966	18.3
149.17252	2.6
155.08745	7.7
157.10207	12.3
158.02193	2.6
159.08139	10.8
163.04025	13.8
166.02798	2.4
171.03021	50.7
175.11304	76.5
176.86389	2.3
179.03526	70.7
194.05887	48.1
194.09476	2.8
195.10304	2.8
209.08180	12.1
309.50430	2.4
328.75168	2.4
363.16608	5.0
399.12903	18.4
399.99881	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	399.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83018	0.7
55.01897	4.4
57.03455	1.3
59.01386	87.4
71.01385	22.0
72.99307	1.1
73.02940	17.5
73.03287	0.7
77.99829	0.7
80.66632	0.9
83.01397	12.8
85.02946	14.3
86.00153	0.9
87.00885	1.9
89.02458	3.4
92.10763	0.9
92.20583	0.8
96.96019	7.6
99.00904	5.5
99.04603	0.8
101.02444	49.8
113.02454	14.5
117.01936	1.0
125.02493	0.9
143.03558	3.2
156.66318	0.8
159.03094	2.6
159.74910	0.7
161.04594	9.9
162.36708	0.8
193.07205	100.0
194.07443	0.8
339.13016	99.0
340.13269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1302
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
50.14245	0.7
50.23965	0.7
59.01398	1.4
60.02161	0.8
60.23418	0.7
62.59874	0.7
70.19090	0.7
71.01382	1.3
72.02857	0.7
85.02958	1.1
93.03485	1.0
96.96023	3.2
101.02402	1.0
101.06084	4.9
108.02184	100.0
109.02960	24.3
151.99937	1.8
152.01172	55.5
153.01978	11.9
195.10336	1.0
255.76140	0.9
386.69794	0.9
399.13010	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83481	5.1
78.18250	5.7
92.10775	6.0
145.25851	5.2
148.64076	5.6
184.12801	6.0
197.11752	6.5
199.13408	100.0
216.57213	5.8
222.98737	6.7
303.58563	6.2
383.85889	7.0
397.15985	11.9
411.17749	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34199	0.5
55.80238	0.4
57.03459	2.7
57.24417	0.4
59.01386	100.0
61.11935	0.4
61.98839	1.0
69.03429	0.4
79.69180	0.4
80.25424	0.5
83.31752	0.4
90.19249	0.4
90.48288	0.5
91.83024	0.5
99.08123	0.5
156.63402	0.5
160.89265	1.0
165.12680	0.6
168.37787	0.5
205.15926	0.6
217.00230	1.8
249.14967	3.0
287.38147	0.5
329.71777	0.6
386.47623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
59.01389	14.9
62.32771	0.6
71.01369	6.9
72.99305	0.8
80.10229	0.8
85.02961	1.1
89.02441	1.5
90.42269	0.7
92.45335	0.7
96.95981	1.2
101.02437	1.7
101.92959	0.8
113.02418	1.3
130.59901	0.7
132.02168	26.4
133.02942	1.3
134.03734	16.1
135.04515	0.9
147.04387	1.0
149.06056	3.4
160.01665	100.0
171.81055	0.8
175.04007	44.9
175.07759	1.1
176.01285	0.9
177.02011	1.3
177.63803	0.7
178.02721	4.8
191.05585	4.2
192.67448	0.8
193.05043	5.5
204.00618	3.9
219.03020	45.5
237.04082	13.8
272.53308	0.8
287.35172	0.9
390.25104	0.8
399.09369	68.4
400.09467	0.9
423.59680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98495	0.4
59.01381	5.8
61.98841	0.6
69.24499	0.6
71.01380	0.6
72.42708	0.5
72.99310	1.1
77.03976	3.0
84.47385	0.6
87.00895	0.6
89.03953	1.1
93.03454	1.0
95.04997	7.9
95.21928	0.6
96.95986	14.2
96.96947	1.2
98.95592	11.9
98.96414	2.6
102.41730	0.5
105.03445	22.4
115.92110	0.5
119.04996	1.1
123.04498	7.2
125.02390	0.7
132.02240	0.7
133.02936	100.0
135.04474	1.2
137.02435	0.6
139.04019	0.9
147.04535	4.1
149.00667	2.1
149.02423	3.2
151.04007	2.5
155.69275	0.7
159.04552	0.7
161.02438	5.2
163.03986	0.6
175.03995	2.8
177.01913	35.0
182.10307	0.5
192.99628	2.0
208.43069	0.6
271.72043	0.6
279.05130	0.8
282.07346	0.6
339.07394	2.1
399.14404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37511	0.7
55.01899	0.8
56.18649	0.9
59.01385	67.5
61.98843	1.1
71.01379	10.9
71.05022	100.0
73.02952	23.9
85.02970	4.7
87.00864	13.8
87.04552	4.4
89.02470	5.5
89.05436	0.9
95.01418	1.2
96.41290	0.9
96.96014	11.0
97.02959	4.0
98.71600	0.9
99.04523	15.3
101.02470	6.7
103.16348	0.9
113.02466	9.0
115.04009	29.1
115.04764	1.5
119.03511	1.9
125.02425	1.1
145.05067	1.7
157.05029	1.9
161.04585	4.8
175.06110	35.3
215.05685	1.0
224.82153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21070	0.4
59.01377	4.1
59.60268	0.4
63.31989	0.4
64.34515	0.4
71.01373	0.5
83.05005	0.7
85.06595	0.4
92.78085	0.5
96.39110	0.4
96.95988	0.8
107.05040	0.6
135.04509	23.6
139.39410	0.4
142.34984	0.6
163.03996	100.0
169.75185	0.5
178.06342	70.1
193.08678	55.1
211.62206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
57.14365	0.2
59.01369	2.0
67.01889	0.3
69.03444	0.3
71.01380	1.5
71.17580	0.2
73.02950	0.9
81.03467	0.3
82.98949	0.2
83.05034	0.5
85.02947	14.5
85.03461	0.5
87.00877	3.4
93.03442	5.1
96.96030	0.6
96.97007	0.4
99.00853	0.5
99.04489	0.3
101.02501	0.3
109.02960	1.3
111.00880	2.4
111.04525	1.7
112.98817	0.5
125.02428	0.5
127.04002	2.6
129.05446	0.3
137.02481	0.3
139.69151	0.2
155.03487	0.3
171.03033	0.4
173.00917	0.5
173.04520	2.0
191.05623	100.0
205.03537	2.5
385.54196	0.2
389.11746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41434	0.8
58.58693	0.9
59.01384	7.8
61.88405	0.8
64.64913	1.0
66.72104	0.9
71.01380	6.1
73.02950	1.7
73.47223	1.1
73.95020	1.1
85.02969	4.4
89.02489	1.1
91.89257	1.0
95.01393	2.0
96.96007	6.5
99.00916	1.1
99.04515	4.9
101.02449	2.0
103.59732	0.9
108.02183	100.0
109.02962	61.0
113.02445	1.6
123.00876	2.1
135.00772	1.0
145.02997	1.4
148.00644	1.0
152.01170	84.6
153.01936	15.0
163.04033	1.0
187.04089	1.3
192.07823	4.1
235.09726	1.3
315.07245	1.1
397.11353	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15979	1.7
65.08089	1.9
66.32870	2.2
73.35392	1.8
74.19263	1.6
87.84312	2.2
99.92582	68.8
100.58458	2.0
115.92073	13.1
116.92857	11.2
118.89974	100.0
125.40813	1.8
127.65936	1.9
134.89476	8.2
135.90262	16.2
141.93642	2.2
150.88933	2.4
167.19308	2.0
222.27328	2.2
277.21701	2.4
278.21927	2.8
321.43201	2.1
360.14008	10.5
396.11661	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67087	0.2
59.01377	0.5
64.05592	0.2
78.95911	2.5
79.95734	2.0
96.96010	100.0
96.96896	4.6
108.02156	0.4
116.92894	0.5
118.18446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
69.12516	0.2
71.01373	0.4
72.67098	0.2
78.82192	0.1
78.95467	0.3
78.95895	4.5
79.95734	2.0
83.17977	0.2
86.45170	0.2
88.98806	1.2
96.96006	100.0
96.96905	8.4
113.02464	0.3
125.02511	0.2
149.06036	0.2
149.94795	0.2
149.96019	0.2
152.18536	0.2
407.48386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	75.4
60.74358	0.8
60.99317	1.0
65.54690	0.8
69.03475	3.7
71.01389	10.0
72.99306	1.9
73.02946	20.2
75.00893	3.6
77.77187	0.8
78.95940	1.1
79.48943	0.8
81.44997	0.8
83.01403	4.8
85.02966	5.9
87.00887	1.2
88.98817	8.3
89.02453	5.3
93.80325	0.8
96.96008	49.4
96.96957	1.4
98.95596	12.0
98.96355	1.7
99.00876	1.3
101.02437	8.8
103.00381	1.6
109.03008	1.0
111.04533	1.5
111.08194	0.9
113.02456	13.0
113.06104	8.7
116.92858	5.4
117.01931	16.2
119.03496	3.8
123.97049	0.8
129.01974	1.9
135.04518	0.9
139.85609	1.0
145.13718	0.8
173.04567	4.4
173.08197	100.0
177.00253	0.9
215.09233	4.7
245.10277	3.7
288.67920	0.9
294.41064	1.0
335.13474	1.7
395.09824	5.6
395.14819	1.4
395.65891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.156
Annotation	Mirabegron
Peak:m/z	Relative Intensity
50.51661	0.7
54.07033	0.7
55.01881	1.0
57.03451	0.8
59.01383	69.1
71.01381	13.3
72.99328	0.9
73.02924	1.3
73.59809	0.7
79.60554	0.8
81.02757	0.9
82.84267	0.8
85.02971	3.8
86.00111	1.1
87.00898	1.4
88.98820	1.4
89.02444	11.0
97.06589	1.4
99.00896	0.8
101.02443	8.6
108.87174	0.9
109.06598	8.2
111.08118	5.7
113.02479	5.8
113.03166	0.7
119.03506	3.9
125.09723	11.3
127.07701	6.3
153.09216	4.9
155.07155	1.1
155.10864	1.0
155.78394	0.9
171.10292	28.5
173.08194	46.2
187.09764	1.8
188.29247	0.8
198.88174	0.9
215.09337	12.8
233.10339	24.2
275.11353	1.8
333.15485	3.8
335.13480	13.2
335.17044	1.8
377.14542	2.0
395.15616	100.0
413.10956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01103	0.4
59.01383	7.1
71.01376	1.9
71.05011	0.2
72.99308	0.3
73.02946	0.8
75.49920	0.2
78.95903	2.8
79.95744	1.5
83.05036	0.3
84.45260	0.2
85.02967	0.3
85.67576	0.2
89.02441	4.4
93.03451	2.4
96.96006	100.0
96.96889	4.6
97.02911	0.2
98.95585	3.8
98.96449	0.3
101.02453	0.5
111.04523	0.4
117.01932	1.8
123.42078	0.2
127.03990	0.3
137.02415	2.2
155.03470	1.9
173.04567	0.7
173.08167	0.9
189.00467	0.3
189.03998	1.8
189.07605	0.4
203.02017	0.4
335.09720	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	395.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98193	2.0
57.03463	2.7
59.01382	91.2
59.01655	4.9
59.09635	2.5
59.34616	2.4
61.98824	3.5
63.03259	2.4
71.01386	23.1
71.16071	2.4
72.99296	3.0
85.02951	5.5
87.00868	3.2
89.02433	17.4
96.95992	58.1
96.96947	3.6
97.06610	3.8
101.02446	11.5
102.98584	2.6
107.11954	2.9
109.06573	4.8
113.02438	5.6
118.76528	2.9
119.03477	3.0
119.04990	3.8
125.09715	5.6
144.68561	2.5
152.22644	2.7
153.09149	4.6
153.63445	2.5
163.03940	11.0
164.04749	3.3
171.10272	24.6
173.08154	40.9
176.39317	3.4
179.07135	5.1
197.08214	3.4
215.09242	14.8
220.29115	2.7
233.10309	23.3
255.98648	2.8
331.10049	3.9
335.13477	9.2
335.17093	5.3
377.14499	5.0
395.15567	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	393.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77309	0.2
59.01390	100.0
91.18189	0.2
92.10715	0.3
101.37862	0.3
119.98486	0.3
147.04533	33.6
148.30951	0.3
157.15260	0.3
222.08443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42116	0.6
51.87161	0.5
52.22234	0.6
58.19384	0.6
58.75039	0.6
59.01386	20.2
61.98833	0.9
67.05524	5.5
68.99825	0.8
69.03461	1.0
72.59739	0.7
79.03076	0.7
80.21212	0.6
81.03475	1.6
88.80507	0.7
93.03433	0.9
95.05020	28.5
113.06074	5.2
139.04015	100.0
152.35902	0.6
153.12816	0.8
155.16249	0.7
156.89507	1.4
173.16777	0.8
186.41701	0.7
191.14417	3.6
217.16052	8.0
235.17017	3.6
357.24011	0.9
393.22791	3.3
418.95358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09173	72.3
67.96991	87.4
74.88539	93.4
76.57748	89.1
80.86903	88.5
83.09379	88.0
86.36546	85.1
87.25673	90.2
94.67415	85.3
96.75543	78.1
103.24836	97.0
103.51517	100.0
104.74557	90.9
172.15111	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83765	64.2
70.07764	80.0
71.60883	63.1
75.67973	71.8
83.33099	61.7
93.14067	68.2
98.75321	76.5
101.17751	79.4
104.59338	68.3
132.56747	69.7
331.50861	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	394.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
60.01720	0.6
61.01828	0.5
61.98835	100.0
63.78122	0.4
80.70493	0.4
83.05054	0.4
91.45219	0.3
103.23449	0.4
159.89342	0.5
205.53226	0.4
212.18835	0.4
230.70163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73819	0.2
59.01379	0.4
67.92921	0.2
72.99333	0.2
78.95894	2.5
79.95738	1.7
92.10195	0.2
96.96000	100.0
96.96986	3.3
98.95586	0.4
99.10613	0.2
136.82596	0.2
151.59833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
64.34245	0.2
71.01389	0.8
78.95913	0.2
79.95742	1.7
80.74479	0.2
85.02911	0.3
89.02438	1.3
89.59255	0.2
96.96006	100.0
98.95547	0.2
101.02460	0.3
113.02442	0.4
119.03506	0.3
130.50136	0.2
152.61934	0.2
155.81026	0.2
295.10333	2.5
309.10251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1328
Annotation	Durallone
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	14.3
60.90806	2.4
61.01809	4.4
61.98838	4.1
62.03197	2.1
69.60100	2.4
71.01379	2.9
88.98823	9.0
89.02412	2.7
104.79568	2.2
135.25906	2.4
393.13306	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82710	0.5
57.03463	3.5
58.74667	0.6
59.01385	100.0
61.98837	0.8
71.01392	2.8
77.98380	0.5
85.02954	1.1
85.74838	0.6
88.98818	3.4
91.48903	0.6
92.10793	1.1
101.02466	0.9
113.02460	1.0
119.03516	0.8
135.10117	0.6
140.63504	0.7
149.00192	0.6
153.09186	0.8
161.04668	0.8
164.04861	0.9
171.10284	35.5
180.04266	0.7
185.11855	0.7
195.06691	0.6
261.15393	1.2
305.14603	0.7
333.15652	0.8
333.19162	0.7
393.16049	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	393.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19703	0.4
54.83026	0.5
59.01383	100.0
61.98823	4.1
147.04530	3.5
152.04718	0.5
227.75937	0.4
234.60179	0.5
267.46259	0.5
393.23172	0.8
405.10010	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	393.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52726	0.3
54.97401	0.3
56.57281	0.3
59.01391	100.0
70.91738	0.3
78.14075	0.3
80.21957	0.3
92.10107	0.6
95.74995	0.3
101.76266	0.4
123.56427	0.3
135.78683	0.3
147.04526	1.7
200.47964	0.3
218.92801	0.3
221.65086	0.3
240.69594	0.3
309.33887	0.3
417.31619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.84336	0.3
66.55901	0.3
68.79610	0.3
72.15983	0.3
83.71354	0.3
100.19777	0.3
109.54794	0.3
147.04535	32.8
166.45854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10077	0.3
59.01390	0.5
61.98839	100.0
63.19822	0.3
66.10651	0.3
69.55582	0.3
87.61598	0.3
89.79779	0.3
92.10724	0.4
96.15077	0.3
123.04511	2.2
125.02421	0.6
127.11012	0.3
133.95325	0.4
167.03519	8.2
170.99982	0.3
185.46251	0.3
329.08566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24253	0.6
54.53874	0.5
54.83086	0.5
57.03465	1.1
58.69025	0.5
59.01385	30.7
61.98843	4.4
63.02407	4.9
65.00327	12.1
67.42684	0.5
71.01395	3.8
75.05097	0.7
79.31907	0.5
83.01396	10.0
85.02934	1.0
88.98782	0.9
89.02451	0.8
93.03447	7.6
99.00912	0.8
107.01398	23.2
109.02965	0.6
109.54831	0.6
117.03430	0.7
119.05029	70.9
120.99657	25.6
121.02962	0.8
125.02460	6.0
143.05051	1.6
145.02954	2.7
151.00388	73.3
161.06107	1.5
165.01936	4.0
169.01437	3.4
171.10411	0.7
177.01962	5.3
185.06119	3.0
187.04039	5.9
227.07242	4.8
257.37921	0.8
267.18555	0.7
271.06161	100.0
272.06525	1.3
278.93991	0.7
333.18793	0.9
360.99268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73480	3.3
59.01395	100.0
59.30521	4.0
69.27035	4.3
74.53304	3.9
76.00680	4.9
90.41785	4.1
112.17735	4.0
123.87811	5.4
187.79341	4.8
203.74832	4.4
228.55450	5.1
313.25281	5.4
339.51355	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	392.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70242	0.4
55.65706	0.4
55.72854	0.4
59.01379	8.4
61.98832	100.0
63.04470	0.5
65.90217	0.5
66.96664	0.5
69.02449	0.5
74.16332	0.4
77.36533	0.6
81.03468	0.5
83.01395	0.8
90.62369	0.5
92.10019	0.5
123.04511	17.2
125.02425	1.0
167.03502	43.6
181.05023	0.9
191.03513	11.3
209.04648	4.4
221.04669	0.7
292.14175	0.5
327.27493	0.5
329.05154	0.9
329.08813	16.3
353.49594	0.5
355.41364	0.5
358.32938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03448	0.2
59.01384	100.0
71.01385	5.5
73.02950	1.1
77.72982	0.2
83.01405	0.6
85.02939	2.1
85.18471	0.3
87.00851	0.3
89.02438	4.8
92.10789	0.7
101.02446	3.5
103.90410	0.3
107.56187	0.3
113.02435	2.1
119.03519	2.1
122.75267	0.3
153.48489	0.3
157.98656	0.3
161.04597	1.9
169.12308	0.5
179.05652	1.2
246.78352	0.4
331.17648	5.5
391.19534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43116	0.2
57.03466	0.3
59.01385	100.0
61.98878	0.3
68.05178	0.2
71.01392	3.6
72.99286	0.2
73.02953	1.4
83.01378	0.4
85.02963	1.6
88.98799	0.4
89.02424	1.7
92.10233	0.4
99.00881	0.3
101.02444	3.0
113.02446	1.5
119.03478	0.5
121.02956	0.5
152.51543	0.2
159.02963	0.3
161.04550	2.0
331.17670	8.2
391.19592	0.3
391.27090	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66386	0.3
55.01890	0.3
55.20543	0.3
59.01383	100.0
66.84517	0.4
71.01371	5.0
73.02956	0.4
83.01382	0.4
85.02940	1.7
89.02452	4.2
92.10758	0.7
98.60738	0.4
101.02433	2.6
111.18901	0.5
113.02468	1.7
119.03540	0.8
138.03574	0.4
161.04575	0.9
179.05566	0.4
331.17685	3.5
364.26138	0.4
390.93005	0.4
391.19797	0.5
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
50.08635	0.2
52.00539	0.2
52.29721	0.2
53.48150	0.2
55.01870	0.3
57.03443	0.3
59.01376	100.0
61.98818	1.3
71.01366	6.9
71.01711	0.3
71.76898	0.2
72.99297	0.3
73.02937	2.8
78.53713	0.2
83.01365	0.5
84.86783	0.2
85.02937	4.2
89.02444	0.6
95.01361	0.9
99.00848	0.5
101.02436	4.2
113.02444	2.7
125.02412	0.2
134.03723	0.9
143.03473	0.3
147.88867	0.2
159.02950	0.5
161.04530	6.7
175.03908	0.4
178.02771	0.4
185.06018	0.3
191.05606	2.3
193.05066	0.6
197.23961	0.3
331.17648	6.6
353.08752	0.4
364.42068	0.3
391.15378	0.4
391.20157	1.9
404.71176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
59.01383	100.0
71.01376	16.6
73.02965	3.3
81.99025	0.7
83.01392	1.4
85.02933	6.7
88.98826	0.7
89.02432	10.6
95.01382	1.1
97.02975	0.8
99.00895	1.0
101.02444	15.6
113.02438	8.2
116.77413	0.6
119.03507	5.4
143.03473	0.7
160.37955	0.6
161.04568	8.7
179.05640	2.5
192.26622	0.7
331.17645	16.7
391.27151	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.5
57.03474	1.0
59.01386	100.0
66.29571	0.6
68.84060	0.6
71.01380	16.1
71.01717	0.8
72.99343	0.7
73.02966	4.7
74.50510	0.7
77.56634	0.8
85.02956	10.3
87.00895	1.6
88.98792	0.7
89.02439	7.9
95.01392	1.1
99.00866	1.0
101.02441	10.6
113.01778	0.7
113.02414	6.1
119.03506	1.4
131.03525	1.4
161.04570	14.2
177.91666	0.7
179.05534	1.0
186.15382	0.7
221.06664	8.0
284.64157	0.8
331.17715	9.2
351.65710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12676	0.3
56.78154	0.3
59.01386	100.0
64.15720	0.3
68.48869	0.3
73.87136	0.3
78.47775	0.3
100.45332	0.3
106.81687	0.3
107.73068	0.3
111.08131	0.4
124.50057	0.3
136.16855	0.4
391.25095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01384	100.0
63.21085	0.7
71.01401	0.7
75.48849	0.6
77.86963	0.7
85.74429	0.8
88.47900	0.8
97.06559	0.9
111.08244	1.2
116.92765	0.6
128.67926	0.8
130.09702	0.8
144.84569	0.7
147.04510	1.3
155.01268	0.9
244.02144	0.7
250.74173	0.8
301.61459	0.8
363.82986	0.9
365.01160	0.9
374.35654	0.8
391.21100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83281	0.2
59.01385	100.0
61.98841	0.4
63.20172	0.3
71.01383	6.7
72.99292	0.4
73.02937	2.8
83.01385	0.3
85.02954	3.4
89.02455	0.5
95.01424	0.4
97.02981	0.5
99.00893	0.4
99.67657	0.3
101.02447	4.0
106.69021	0.3
113.02444	3.3
161.04588	6.4
202.80515	0.4
215.70454	0.3
243.23994	0.3
248.88043	0.4
263.21710	0.3
329.01614	0.3
331.17654	6.3
391.19760	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
59.01384	100.0
59.12647	0.3
71.01379	5.4
73.02949	1.8
76.57716	0.4
83.01376	0.6
84.42586	0.4
85.02940	2.7
89.02463	1.5
91.12398	0.3
95.01373	0.4
99.00915	0.6
101.02438	4.0
113.02453	2.3
161.04546	4.4
216.88094	0.4
287.09351	0.5
331.17661	12.7
391.20108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28619	0.2
59.01392	100.0
61.98847	1.0
71.01396	2.5
73.02961	0.4
83.01417	0.2
85.02956	0.9
89.02445	2.4
92.10125	0.4
101.02455	1.5
113.02454	1.7
118.29408	0.2
119.03513	1.5
123.22429	0.3
128.62776	0.2
157.47348	0.2
161.04582	1.0
172.09196	0.3
179.05624	0.6
253.99017	0.2
274.28882	0.3
331.17679	2.2
391.20117	0.4
392.07831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.2
57.03452	0.7
58.00602	2.4
59.01384	100.0
64.81258	0.5
70.34829	0.5
71.01380	33.2
71.58566	0.6
72.20164	0.5
72.99318	1.4
73.02962	0.8
77.08955	0.5
83.01383	1.1
85.02950	8.4
87.00879	0.7
88.21683	0.5
88.98820	0.8
89.02441	33.2
94.95278	0.7
95.01405	2.6
101.02435	15.9
102.90672	0.5
113.02448	12.4
119.03497	15.6
135.08144	9.3
143.03563	0.7
157.09561	0.5
161.04550	1.3
179.05647	2.1
179.07091	1.2
211.07907	1.1
211.09795	18.6
230.09447	0.7
275.30072	0.6
331.17847	1.0
375.58710	0.6
391.15973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99159	1.1
57.03464	2.1
59.01385	31.4
59.07164	1.2
61.98843	5.7
67.76295	1.2
77.03957	15.3
83.05074	1.5
84.90114	1.4
85.50507	1.3
93.03493	1.8
93.07099	2.0
95.05042	10.8
97.03030	1.4
103.74348	1.3
106.04261	1.2
116.18706	1.6
117.07126	10.4
119.05085	1.2
120.05802	2.2
120.20692	1.3
121.02988	11.1
135.08148	13.0
147.04538	100.0
149.09721	6.1
167.10832	3.1
179.07173	1.7
193.08727	1.8
211.09793	33.4
243.12387	31.7
295.35791	2.0
309.11905	5.4
390.29312	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	391.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47985	0.4
59.01389	100.0
61.12380	0.5
61.98851	2.0
62.23316	0.4
72.69051	0.5
74.91601	0.5
121.03005	0.9
147.04549	10.3
182.85355	0.8
197.09654	0.6
217.00363	0.7
236.89807	0.5
240.90813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01384	100.0
63.21085	0.7
71.01401	0.7
75.48849	0.6
77.86963	0.7
85.74429	0.8
88.47900	0.8
97.06559	0.9
111.08244	1.2
116.92765	0.6
128.67926	0.8
130.09702	0.8
144.84569	0.7
147.04510	1.3
155.01268	0.9
244.02144	0.7
250.74173	0.8
301.61459	0.8
363.82986	0.9
365.01160	0.9
374.35654	0.8
391.21100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45388	0.3
54.82706	0.3
57.85093	0.3
59.01389	5.2
61.98832	100.0
71.01383	0.9
75.00468	0.3
75.10464	0.4
85.02955	0.6
89.02451	0.6
101.02425	0.3
178.87486	0.4
219.07301	0.4
230.35997	0.3
300.52957	0.4
327.49722	0.5
391.15771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45060	0.6
57.03456	3.3
59.01386	43.4
65.00317	4.6
67.59933	0.5
69.03448	2.0
71.01386	3.6
73.02959	0.7
79.01913	2.9
81.03455	6.6
83.01375	6.6
85.02960	1.1
89.02445	3.8
93.03451	1.3
95.01402	1.4
97.02925	7.6
99.04533	0.7
101.02452	2.9
105.03443	0.8
105.42271	0.6
107.01402	5.1
109.02937	0.9
112.60915	0.6
113.02442	0.8
113.57471	0.6
119.03561	0.6
119.05019	9.4
121.02953	9.7
123.00922	1.0
125.02436	27.2
137.02448	1.5
141.07077	2.5
143.05035	8.5
145.02965	19.6
149.02464	0.9
151.00392	7.8
155.08658	5.0
157.06555	5.7
161.06090	4.5
163.00424	4.7
165.01897	4.3
169.06641	0.9
171.08099	0.9
177.01927	1.3
179.05663	0.6
183.08139	0.7
184.05276	3.6
185.06094	13.4
187.03978	2.5
193.01498	5.2
197.06094	1.1
199.07681	10.8
201.05583	0.7
203.07176	2.8
209.06120	1.0
213.05629	0.8
227.07248	4.5
229.05089	21.5
239.07376	0.6
241.05121	8.1
243.06689	4.4
245.91252	0.7
253.04802	0.7
255.06622	2.5
268.03757	1.3
271.06146	100.0
283.06094	3.9
301.07217	26.8
313.07065	0.8
331.17612	0.8
391.10452	4.2
391.19656	1.5
412.05371	0.7
413.15897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1041
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
55.45163	0.4
55.82658	0.3
57.28875	0.3
59.01384	13.7
63.02414	1.4
65.00325	7.3
65.58012	0.3
66.15195	0.3
66.25368	0.3
71.01393	0.8
83.01389	4.7
85.02940	0.3
88.98788	0.3
101.02425	0.6
102.03340	0.3
107.01393	12.4
119.05021	5.6
121.02978	2.5
125.02458	0.6
143.05029	6.5
145.02959	13.4
151.00377	27.7
157.06625	1.3
161.06104	4.9
185.06082	11.5
225.05623	2.0
229.05074	100.0
253.05066	0.8
270.44217	0.3
271.06143	0.8
331.17871	0.5
391.10266	5.3
391.19983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95871	0.6
51.16802	0.7
55.01888	0.9
57.03466	1.5
59.01387	46.9
65.00333	5.7
69.03463	1.8
71.01401	5.1
77.03965	1.0
79.01907	1.8
81.03465	5.2
83.01390	6.4
85.02968	1.9
89.02443	1.9
92.10777	2.3
93.03454	1.4
95.01351	1.2
97.02941	9.7
101.02465	3.4
105.03520	1.0
107.01398	4.4
113.02483	1.9
119.05034	9.1
121.02975	9.7
125.02427	22.1
131.34128	0.8
141.07106	3.5
143.05017	10.1
144.70432	0.8
145.02962	21.1
149.02458	1.6
151.00360	8.3
155.08678	5.6
157.06569	5.7
161.04768	1.0
161.05991	5.9
163.00336	4.5
165.01906	4.4
169.57123	0.8
171.08200	1.1
181.12309	0.9
183.08182	1.8
184.05305	4.9
185.06081	12.7
187.03983	1.3
193.01443	5.4
197.06107	1.1
199.07686	10.5
203.07155	2.0
222.09865	0.8
227.07152	3.6
229.05080	23.1
241.05144	10.3
243.06624	4.5
255.06664	4.6
271.06146	100.0
272.06424	1.2
283.06219	3.8
301.07205	26.0
313.07068	1.3
331.17685	1.1
391.10538	1.7
391.19452	1.6
402.04071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86383	0.4
57.18242	0.4
59.01390	100.0
63.50298	0.4
97.87061	0.5
110.27733	0.4
146.33156	0.5
170.37692	0.5
185.64890	0.5
201.28061	0.5
208.54553	0.4
248.90848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40988	1.0
54.82854	1.3
59.01384	100.0
60.00159	1.2
64.34789	1.4
72.38212	1.2
83.90856	1.3
85.06610	8.4
87.77592	1.3
137.09718	2.8
142.82893	1.3
149.09747	5.3
153.12845	1.8
163.11317	4.9
175.11319	2.5
179.22258	1.2
189.12897	2.7
191.14445	54.3
205.12314	7.7
208.39406	1.4
209.15454	1.7
235.13396	10.1
264.75919	1.2
352.67596	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	391.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57940	0.4
53.64090	0.3
54.26954	0.4
59.01385	6.7
60.99317	18.0
64.60719	0.4
65.00341	0.6
83.01391	0.4
87.52322	0.4
88.98811	100.0
89.02451	0.7
107.01376	0.9
117.22792	0.4
121.02969	0.7
149.78093	0.4
151.00385	5.0
169.01392	0.5
178.75713	0.4
178.99846	2.0
179.03499	0.5
198.71518	0.4
301.03592	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	391.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13205	0.2
61.31109	0.1
69.03456	2.1
76.91799	0.2
78.95900	1.6
79.95738	1.9
95.00723	0.2
96.96007	100.0
96.96992	2.7
131.34634	0.2
137.02463	0.2
156.01138	0.2
158.71437	0.2
181.05086	0.3
248.70035	0.2
391.10715	2.9
393.28677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.6
61.46046	1.1
71.01382	2.3
79.95741	1.9
85.02970	4.3
87.00895	1.6
87.05459	1.0
89.02436	1.2
92.10163	1.1
96.96010	100.0
97.02950	1.3
123.08153	1.3
134.03746	20.4
141.09225	3.8
141.93500	0.9
142.89726	1.0
149.06075	5.0
173.04547	1.1
178.02753	7.4
185.08211	1.8
191.05629	50.2
192.05960	1.8
193.03314	1.4
193.05014	28.1
193.06471	1.4
212.71793	1.2
293.12512	2.3
309.91418	1.0
353.08878	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	391.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
61.98823	1.3
71.01389	0.7
73.82841	0.3
75.83199	0.3
78.95900	2.5
79.95743	2.2
85.02948	0.6
90.57714	0.3
92.16902	0.3
96.96006	100.0
96.96891	4.2
98.95583	0.5
139.00363	3.9
147.05646	1.3
150.03134	0.4
154.02750	5.3
161.04521	0.6
161.07156	0.4
169.05099	4.0
175.05174	0.4
191.05615	0.5
232.51372	0.3
236.32547	0.3
353.09937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.4
60.58364	0.2
61.98833	100.0
83.56298	0.3
95.60432	0.3
139.10814	0.3
215.65579	0.3
240.78032	0.3
244.30833	0.3
262.18738	0.3
389.27322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.36077	0.9
61.98839	12.4
65.97042	0.9
80.80489	1.0
85.06628	1.1
110.09708	1.1
111.42966	1.0
124.51363	1.1
135.00824	1.5
153.40396	1.0
231.13884	5.1
389.12863	6.5
389.27243	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	389.1979
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
50.76400	0.5
54.61408	0.5
59.01391	33.5
60.22579	0.5
64.35327	0.5
65.86313	0.5
93.03484	3.1
98.58535	0.6
108.02161	1.0
109.02941	11.4
109.03557	0.6
121.02948	40.8
122.03741	30.8
122.04624	1.4
123.04531	4.8
124.01682	1.6
128.12473	0.7
135.04524	1.2
136.05316	3.6
137.02495	3.3
139.11313	0.8
149.06096	7.0
154.02731	5.8
161.58342	0.6
163.07678	1.1
177.09273	1.3
299.12762	1.2
314.12244	0.7
314.15277	47.2
329.17630	100.0
330.18011	1.4
359.05734	0.7
389.23422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57341	9.7
59.01381	100.0
65.65994	9.4
68.13015	9.5
71.01380	12.3
83.05046	20.1
85.06611	55.2
92.66408	13.0
123.58049	13.7
127.03941	18.2
137.09715	23.3
160.02690	12.2
163.30997	12.3
173.48666	9.3
185.11818	18.5
203.12895	70.1
255.61501	11.2
267.64560	11.2
389.23022	25.1
389.27362	24.8
396.43744	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	389.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91167	6.2
58.85273	5.7
59.01398	47.1
66.38214	5.9
68.03098	6.5
82.17028	7.4
101.06079	17.6
113.06144	28.3
159.12984	7.9
186.09004	96.4
255.59927	8.6
327.27097	39.0
389.27142	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	389.27
Annotation	4651-67-6
Peak:m/z	Relative Intensity
59.01384	11.2
61.31001	4.7
61.98838	5.3
67.10164	5.1
73.37884	4.0
87.80816	4.2
89.41237	4.6
96.98336	4.4
99.44552	4.9
101.06082	25.0
106.26454	5.2
113.06096	25.4
139.07663	5.6
150.58725	5.1
153.82204	5.3
162.53751	5.9
185.08208	17.5
186.08990	94.3
300.67899	5.5
327.26981	30.7
346.34436	5.1
389.27051	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	389.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82669	1.0
59.01394	9.2
67.08785	0.8
88.40967	0.8
131.42120	0.8
137.09724	10.4
147.08141	1.4
149.09755	8.2
149.46344	0.8
153.12865	5.6
163.11273	6.5
175.11267	6.1
179.14386	1.2
187.11229	1.7
189.12839	5.0
191.14436	100.0
205.12335	6.5
231.68225	0.9
235.13370	9.8
389.27173	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	389.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.99302	3.3
71.01392	1.5
72.99306	4.1
75.00866	5.0
75.28854	0.8
85.02973	1.5
88.98800	17.1
88.99273	1.1
89.02454	1.1
95.68685	0.8
96.96007	33.1
96.96972	1.6
101.02415	1.4
101.32054	0.8
106.04227	1.2
107.05056	8.5
107.11621	0.8
115.25430	0.9
123.04552	1.7
135.04526	64.5
161.00893	1.0
161.04568	3.5
167.07147	7.5
233.66328	0.9
253.22182	0.8
285.15771	0.9
294.86557	1.0
297.09860	1.7
316.16888	0.9
353.09961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47825	1.0
55.01902	1.1
57.88999	0.9
59.01385	100.0
61.98834	2.3
71.01375	5.8
72.99316	1.3
73.02939	1.4
74.99093	1.3
78.95908	5.4
79.95741	1.0
85.02943	1.6
89.02444	1.7
96.95999	99.4
96.96909	7.7
101.02449	1.4
105.87785	1.0
107.05013	8.7
113.02426	1.6
125.02414	4.0
135.04507	64.1
147.05634	6.8
161.04468	1.4
161.07123	5.1
167.07109	8.1
175.05112	7.5
189.06694	5.8
191.05592	7.9
193.04994	1.6
194.05777	1.8
209.08163	2.0
297.09711	2.3
307.08231	1.1
322.47702	1.0
353.09866	11.7
384.09512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1609
Annotation	Norcaesalpinin F
Peak:m/z	Relative Intensity
56.23497	0.3
58.96983	0.3
59.01393	100.0
59.85608	0.2
61.98852	0.3
62.55049	0.3
84.20265	0.3
91.17866	0.3
121.02936	0.8
147.04543	6.7
161.55481	0.4
258.23218	0.3
329.14014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15417	0.5
59.01382	100.0
60.01725	0.6
64.34725	0.8
73.02956	0.5
80.42054	0.5
95.05041	1.1
98.11539	0.5
109.02946	1.3
112.97948	0.7
121.02948	3.1
123.04536	9.5
141.06212	0.6
147.04518	16.7
149.02455	0.7
167.10805	0.9
181.08685	1.4
275.58853	0.7
321.69336	0.6
322.04977	0.6
406.93033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14589	0.4
56.42941	0.4
59.01385	100.0
67.64610	0.4
71.01384	7.3
73.02953	0.7
79.00014	0.5
85.02959	2.6
89.02451	7.5
92.10142	0.6
94.89803	0.5
101.02400	3.1
106.81585	0.4
113.02456	4.0
119.03477	2.4
121.93690	0.5
123.77426	0.4
143.03516	0.8
151.63931	0.5
161.04544	2.2
171.10468	0.5
179.05624	2.3
207.34480	0.5
267.55112	0.5
329.15994	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
55.83266	0.6
57.03449	1.0
58.95182	0.5
59.01384	100.0
71.01383	14.9
71.01764	0.7
71.70212	0.5
73.02968	3.3
74.42645	0.5
74.79545	0.5
75.44266	0.5
79.85915	0.6
81.34409	0.6
83.01406	0.8
84.07017	0.6
84.95092	0.6
85.02950	5.7
87.00850	1.0
87.66024	0.8
88.98810	0.8
89.02444	11.1
95.01414	0.9
96.44370	0.6
101.02437	8.5
101.06032	0.7
113.02441	6.8
119.03495	3.1
124.05276	0.9
131.03456	0.7
135.61638	0.6
143.03540	0.8
149.09724	4.3
155.89180	0.6
161.04568	7.4
167.10768	2.5
179.05566	1.2
209.04420	0.7
263.33566	0.7
324.37967	0.7
329.16034	4.1
389.18103	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	389.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90837	0.2
55.45809	0.2
59.01384	3.2
60.99333	0.3
61.04944	0.2
62.74990	0.2
65.41260	0.2
66.00272	0.2
71.01385	0.4
73.02960	0.2
74.99110	0.4
78.95947	0.3
79.45414	0.2
81.03513	0.2
85.02950	7.1
87.00870	1.7
88.98803	1.7
93.03451	2.6
96.45219	0.2
96.96012	5.2
96.96959	0.4
99.04497	0.3
109.02982	0.8
111.04522	1.0
127.03978	2.0
133.02951	0.9
135.04546	1.3
136.99178	0.3
161.02513	2.1
167.03500	0.2
167.07207	0.4
167.26218	0.2
171.02953	0.2
173.04518	1.3
179.03481	0.3
191.05629	100.0
192.06050	0.7
353.08847	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	389.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52236	0.2
57.74831	0.2
59.01372	5.7
71.01374	1.2
85.02935	8.0
87.00885	1.3
89.02419	0.3
93.03445	2.6
96.96021	0.4
109.02970	0.4
111.04534	1.2
113.24480	0.2
125.02406	0.7
127.03999	2.1
127.69087	0.2
133.02913	0.3
135.04483	0.8
161.02463	2.0
167.07130	0.5
171.03043	0.5
173.04564	1.4
173.05951	0.2
179.03529	0.9
191.05595	100.0
192.05952	0.5
251.30573	0.2
329.12405	1.2
352.06860	0.2
353.08722	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	389.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68610	0.3
52.57161	0.3
57.03465	0.3
57.55087	0.3
59.01385	28.2
59.57179	0.3
69.03461	6.3
71.01054	0.3
71.01397	2.2
72.42823	0.3
72.64219	0.3
73.02979	0.4
79.01913	1.5
80.35460	0.4
81.03462	0.6
85.02963	1.7
88.98824	0.4
89.02452	1.5
95.01434	0.5
97.02951	4.9
101.02459	1.5
107.01392	12.6
108.02142	0.4
109.02940	0.6
113.02408	0.4
121.02993	0.5
123.00897	0.7
125.02439	16.2
131.03516	0.3
133.03032	0.4
134.96550	0.3
135.00905	12.6
136.01663	0.7
136.61981	0.3
149.02463	0.5
151.00378	17.4
153.01883	1.3
161.04578	1.6
163.04018	1.6
165.01955	0.8
166.02722	100.0
167.03511	14.1
177.01978	2.5
179.03488	0.5
191.03548	1.9
208.00340	0.5
209.04585	2.4
221.04597	0.5
245.35896	0.4
297.06274	0.8
329.08838	40.0
389.18213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1225
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
51.63668	5.4
54.83343	6.0
56.84476	5.3
62.51008	4.9
63.68746	5.3
63.73361	5.0
82.95413	47.4
96.96011	100.0
105.58906	6.5
108.02188	37.1
110.97035	5.6
123.04529	36.9
142.06296	6.2
143.33089	6.5
144.35815	5.5
152.01149	33.7
167.03520	63.3
221.80238	6.1
263.57196	7.0
267.33856	6.9
328.83099	5.9
383.19791	6.1
389.12177	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
53.68774	0.6
55.01884	6.4
55.63870	0.6
57.03449	2.9
59.01384	37.2
61.57292	0.8
62.46801	0.7
64.20177	0.7
71.01385	23.3
72.99325	0.8
73.02948	7.6
75.00896	1.0
83.01379	7.7
84.94656	0.7
84.95140	5.0
85.02943	13.9
88.04830	0.6
89.02435	6.6
93.69879	0.7
95.01380	3.0
99.00864	3.2
101.02439	21.6
111.00898	0.7
113.02484	6.1
119.03497	3.0
182.06534	0.7
207.13821	1.0
209.32652	0.7
226.14192	0.7
240.70616	0.8
369.48596	0.8
387.20303	100.0
410.43024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
52.41859	1.0
55.01189	1.0
55.01886	6.6
57.03458	5.1
59.01384	100.0
71.01379	43.1
72.76826	1.3
72.99342	2.3
73.02950	15.4
75.78220	1.2
83.01398	15.9
85.02946	25.8
85.03401	1.9
87.00865	1.8
89.02451	6.7
91.69154	1.2
92.65969	1.3
95.01396	2.4
97.02983	1.6
99.00906	6.2
101.02447	37.6
112.44016	1.1
113.02448	12.8
140.20848	1.6
159.02943	2.2
161.04556	6.5
165.09221	23.4
204.87839	1.3
343.21207	7.0
350.48331	1.3
387.20291	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	387.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66528	0.6
57.03453	1.2
59.01385	100.0
61.98842	4.4
69.38252	0.6
81.80612	0.7
83.05063	0.6
92.10798	0.7
101.06104	0.9
107.05014	1.3
109.02965	3.4
111.04523	0.6
112.90736	0.6
120.15733	0.6
121.02944	0.8
123.04539	0.7
140.25497	0.7
151.11328	0.8
175.52422	0.6
177.12859	1.1
179.10764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29565	14.9
59.01398	100.0
61.98843	27.2
64.29263	16.4
68.23538	17.1
70.76027	15.9
79.01516	19.1
83.70104	17.4
101.01859	19.7
194.11000	18.5
234.57350	22.7
263.83432	18.3
320.50049	21.2
325.96033	20.6
379.12772	20.0
383.88071	18.6
387.25540	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.2
61.98841	100.0
64.34671	0.2
71.01384	0.3
73.47530	0.2
83.01424	0.3
84.29372	0.2
84.64553	0.2
85.06599	1.4
86.06941	0.3
87.00900	0.6
92.30085	0.2
96.96005	2.4
112.31261	0.2
117.03477	0.3
117.43539	0.2
117.87115	0.2
123.04534	3.5
125.02442	0.4
145.02968	3.0
163.04050	0.3
167.03502	12.7
194.99487	0.2
195.33907	0.3
262.55096	0.3
325.09238	0.5
329.08783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39289	0.2
54.65678	0.3
57.03459	2.9
59.01386	100.0
61.98836	1.3
65.96716	0.3
68.14971	0.3
68.56232	0.3
71.01383	4.7
73.02959	1.3
76.97426	0.3
83.01403	1.9
85.02972	2.2
89.02459	0.4
97.02963	0.6
99.00874	0.7
101.02451	3.4
106.04247	0.4
113.02445	1.7
125.02448	27.6
137.06062	0.7
141.74278	0.3
145.02962	0.3
149.02426	2.3
151.04004	1.3
159.03040	0.4
161.04614	4.8
165.05545	2.0
165.09239	9.5
166.06364	0.8
166.37361	0.3
181.05070	0.7
184.03146	0.3
202.22437	0.3
204.65688	0.4
225.04044	1.6
225.07716	7.0
228.15176	0.3
253.09511	0.3
327.14612	4.3
338.98508	0.4
387.09470	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	387.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03451	0.7
59.01386	100.0
71.01382	18.0
72.99343	0.4
73.02941	3.5
78.34219	0.5
83.01404	2.0
84.25919	0.4
85.02946	7.4
89.02450	9.7
95.01396	2.8
96.61656	0.4
99.00854	1.0
101.02451	12.4
101.50092	0.5
113.02460	7.4
119.03515	4.2
123.04472	0.7
152.08458	2.1
159.02980	0.5
161.04561	4.3
165.05568	4.8
165.09193	2.3
166.04871	0.4
179.05595	0.9
308.28461	0.4
327.14661	5.8
387.20367	10.2
411.04282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01390	5.7
62.20755	0.7
70.08621	0.8
71.01383	1.4
71.62365	0.8
73.02941	11.9
73.57362	0.9
85.02965	3.3
89.02441	1.2
95.01394	0.8
95.05029	1.3
98.95584	0.8
101.02413	0.9
109.06602	0.8
113.02463	3.3
119.03467	1.0
134.92027	0.9
144.52654	1.0
163.11275	9.0
172.50278	0.8
181.12352	58.8
207.10255	1.1
225.11346	100.0
249.11510	1.5
267.12399	1.5
362.08414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79409	0.3
57.03459	0.4
58.00584	0.3
59.01387	6.5
71.01378	3.1
73.02955	2.5
80.02702	0.6
85.02971	2.5
89.02444	2.0
92.10822	0.6
95.01369	0.5
95.05022	2.8
101.02451	2.1
107.05048	0.5
107.60366	0.3
109.06592	0.5
113.02449	3.0
123.04520	0.4
137.06111	0.4
155.20505	0.4
163.11304	5.9
165.09196	3.5
181.12367	18.9
181.60048	0.3
195.31671	0.4
207.10249	0.7
211.34700	0.4
223.13409	1.8
225.11356	100.0
226.11768	0.7
249.11378	2.2
267.12381	1.4
327.14624	4.7
387.16589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.7
72.00910	14.5
89.04205	0.2
91.05552	1.5
93.67853	0.2
96.96017	5.8
109.62880	0.2
111.37474	0.3
119.05056	0.4
123.92420	0.3
138.36400	0.2
146.06122	0.4
147.04538	51.1
150.45189	0.3
164.07188	100.0
165.07489	0.3
223.92415	0.3
236.11774	0.3
247.00682	0.3
259.54022	0.3
329.45929	0.3
372.32632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17247	0.2
53.15572	0.2
59.10098	0.2
61.02309	0.2
66.45682	0.2
68.23256	0.2
69.75535	0.2
78.95886	5.1
79.95735	1.7
92.10864	0.3
96.95992	100.0
96.96898	8.4
99.09396	0.2
123.91383	0.2
153.94943	0.2
171.82977	0.2
198.05705	0.2
203.06880	0.3
289.07141	0.9
308.76996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.8
61.98846	1.3
71.01408	3.0
77.49296	0.6
82.95412	0.7
85.06590	100.0
87.00870	0.9
88.98807	1.3
89.02476	0.9
90.61404	0.6
113.06087	18.8
115.04012	14.6
129.05589	8.0
139.00490	0.6
139.04015	1.0
152.01175	0.9
153.21959	0.8
157.05070	5.3
161.04565	1.0
163.04100	0.7
166.05096	7.7
167.03529	1.0
177.01913	1.2
179.07219	0.7
182.05910	0.7
189.07706	14.3
194.02342	0.7
207.02921	0.9
254.74117	0.6
273.92905	0.7
326.99893	0.7
387.13068	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11323	1.0
57.03469	1.1
58.00614	1.4
59.01388	83.1
65.97377	1.3
67.90045	1.2
71.01381	28.2
73.02941	2.3
80.22668	1.2
83.01373	1.9
85.02966	8.4
89.02447	25.7
95.01402	1.3
95.05077	1.6
96.89999	1.3
99.17059	1.0
101.02437	16.5
102.59052	1.1
103.57924	1.2
113.02441	11.7
119.03497	9.3
121.02930	2.7
131.03461	1.4
133.02969	5.7
149.02446	6.9
157.78140	1.1
165.05594	8.3
177.00449	2.5
177.01950	62.0
190.19633	1.7
192.04315	73.8
193.04993	1.4
207.06659	100.0
387.13300	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11323	1.0
57.03469	1.1
58.00614	1.4
59.01388	83.1
65.97377	1.3
67.90045	1.2
71.01381	28.2
73.02941	2.3
80.22668	1.2
83.01373	1.9
85.02966	8.4
89.02447	25.7
95.01402	1.3
95.05077	1.6
96.89999	1.3
99.17059	1.0
101.02437	16.5
102.59052	1.1
103.57924	1.2
113.02441	11.7
119.03497	9.3
121.02930	2.7
131.03461	1.4
133.02969	5.7
149.02446	6.9
157.78140	1.1
165.05594	8.3
177.00449	2.5
177.01950	62.0
190.19633	1.7
192.04315	73.8
193.04993	1.4
207.06659	100.0
387.13300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77092	0.4
50.85439	0.4
51.55310	0.5
59.01390	2.3
79.66061	0.5
80.83641	0.5
85.20009	0.5
91.05517	0.7
100.51105	0.6
101.86807	0.6
107.05041	3.1
134.03758	1.2
135.03477	1.5
135.04521	52.4
150.06871	100.0
151.07663	18.9
190.25475	0.5
212.13170	0.6
227.47406	0.7
235.17123	0.9
285.52661	0.7
364.59756	0.6
385.27869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01150	0.4
59.01385	19.3
61.98835	100.0
63.74769	0.4
71.01383	2.6
73.03351	0.4
83.36713	0.4
85.02966	0.4
89.02441	4.5
96.23454	0.3
96.96014	5.0
101.02457	2.1
113.02434	1.9
119.03500	2.3
179.05687	0.6
311.53391	0.4
323.13522	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2236
Annotation	Oleandolide
Peak:m/z	Relative Intensity
54.83195	1.1
57.03440	2.1
58.00611	1.7
59.01384	59.3
61.98846	1.9
71.73949	1.2
73.02928	1.9
92.10198	2.3
116.92857	7.2
121.02925	1.7
130.52937	1.4
140.25542	1.3
142.18129	1.4
151.34598	1.4
167.14394	2.3
223.17155	3.1
237.93611	1.3
249.18681	10.1
267.19687	100.0
274.72260	1.4
275.16483	10.9
293.17630	66.9
311.18765	7.9
325.10822	1.9
329.89136	1.5
367.21252	8.1
385.22321	53.0
385.25867	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08499	0.4
56.91558	0.4
57.03446	1.0
58.86541	0.4
59.01384	100.0
68.43665	0.4
73.02953	0.5
83.01393	0.5
92.66470	0.5
95.18002	0.6
96.96011	0.8
97.02924	0.5
98.10428	0.5
99.04525	0.6
109.02925	0.9
109.06577	0.8
111.08141	0.6
115.03970	0.7
121.02939	2.7
122.03744	3.0
125.02484	1.9
127.07696	0.6
137.02458	12.9
149.02400	2.0
150.03235	27.3
154.02771	0.7
164.01132	1.0
165.01923	8.8
173.06079	0.6
175.04028	2.0
179.03362	0.5
201.05666	0.6
209.51811	0.6
227.12868	5.3
235.72751	0.5
259.06146	1.1
287.05658	2.0
385.13062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03457	6.0
58.00599	2.4
59.01385	80.3
60.14742	1.2
70.83646	1.3
71.01381	61.3
72.99307	2.1
73.02947	9.7
75.00886	1.2
75.78471	1.3
83.01379	2.7
85.02956	23.7
89.02441	32.8
94.78820	1.6
95.01403	3.3
96.95985	4.9
97.02931	3.0
99.00917	2.2
101.02445	26.6
104.52411	1.3
105.07075	1.2
107.05054	1.6
113.02459	21.8
119.03497	7.3
122.03767	1.4
123.08129	6.5
125.06071	2.0
128.88527	1.3
136.05280	6.8
137.06084	2.1
138.06859	36.1
139.07655	7.0
143.03522	1.6
151.07664	21.2
152.08444	35.8
153.09222	100.0
159.03006	2.0
161.04602	12.3
163.11270	6.3
165.09253	2.4
190.10052	5.7
205.12350	36.2
223.13399	15.3
275.80423	1.3
308.40237	1.4
319.94907	1.4
383.88654	1.6
385.11569	1.8
385.18594	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	385.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63720	0.9
57.03462	1.2
59.01381	17.0
59.79513	0.8
61.98846	1.2
63.55265	0.7
70.33350	0.9
71.65829	0.9
91.78099	1.0
98.03345	0.8
102.24754	0.9
106.94687	1.0
112.68376	0.8
137.47293	0.9
147.04523	100.0
150.71466	0.9
159.94850	0.9
237.14995	33.8
247.53358	1.0
344.91965	1.1
385.20135	10.2
389.01019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
58.98051	0.7
59.01389	15.9
73.10251	0.8
85.07122	0.7
104.13727	0.9
147.04535	100.0
178.14185	0.8
190.35519	0.9
237.14977	34.4
271.08884	0.8
385.20291	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08499	0.4
56.91558	0.4
57.03446	1.0
58.86541	0.4
59.01384	100.0
68.43665	0.4
73.02953	0.5
83.01393	0.5
92.66470	0.5
95.18002	0.6
96.96011	0.8
97.02924	0.5
98.10428	0.5
99.04525	0.6
109.02925	0.9
109.06577	0.8
111.08141	0.6
115.03970	0.7
121.02939	2.7
122.03744	3.0
125.02484	1.9
127.07696	0.6
137.02458	12.9
149.02400	2.0
150.03235	27.3
154.02771	0.7
164.01132	1.0
165.01923	8.8
173.06079	0.6
175.04028	2.0
179.03362	0.5
201.05666	0.6
209.51811	0.6
227.12868	5.3
235.72751	0.5
259.06146	1.1
287.05658	2.0
385.13062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07962	2.1
59.01389	100.0
60.82358	1.9
61.98853	2.8
71.01408	4.0
71.50258	1.9
121.02969	3.9
166.02705	2.8
167.14474	4.3
191.85085	2.1
229.85669	2.0
249.18517	3.6
255.39867	2.1
267.19693	73.4
275.16571	12.1
293.17615	46.8
311.18814	4.3
312.53131	2.2
325.20255	2.6
367.21191	4.4
385.22427	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37992	1.2
57.03460	2.0
59.01383	100.0
59.70361	1.3
61.98838	2.3
64.30910	1.4
66.14503	1.3
78.95059	1.3
83.05050	1.8
84.29006	1.5
85.02960	1.8
87.04525	1.6
109.79339	1.4
121.02952	12.2
147.04530	1.6
176.48445	1.5
259.55051	1.4
300.60800	1.3
318.82974	1.7
385.22141	2.4
395.56152	1.5
401.05615	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	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83281	2.0
55.53960	1.8
57.03442	3.3
59.01386	100.0
59.01689	3.3
61.97640	1.9
71.01376	31.6
73.22570	2.2
80.10336	2.1
83.01402	2.2
83.16622	2.0
85.02972	12.1
87.00887	3.1
89.02430	24.8
91.18360	2.1
99.04488	3.4
100.00874	2.5
101.02447	11.5
103.91511	2.2
107.05046	3.8
111.04517	3.5
111.10425	2.4
112.00069	2.1
113.02443	15.4
118.44456	2.0
119.03518	3.0
125.02441	2.8
130.55034	2.6
131.42863	2.1
133.10260	2.9
135.11803	15.9
137.02455	4.5
138.85588	2.2
146.03557	2.9
146.07399	2.4
161.09709	34.3
165.01953	3.8
175.07671	3.7
179.10802	89.4
185.11845	28.3
203.10818	10.1
223.09781	66.1
229.08740	3.7
255.07672	2.9
262.00699	2.7
262.91711	2.5
265.10843	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01389	2.2
73.02979	0.5
74.23373	0.3
85.02934	0.8
85.65858	0.3
91.27229	0.3
98.75332	0.4
101.02425	1.6
113.02424	0.5
128.43552	0.3
133.26054	0.3
148.05313	34.3
161.04518	1.7
163.07652	26.3
239.16489	0.4
261.22104	0.4
314.48148	0.5
373.09579	0.4
385.18588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82969	1.2
57.03459	1.4
59.01389	26.5
60.53254	1.2
71.01379	15.1
73.02941	2.2
82.09680	1.2
83.01404	1.6
85.02963	6.1
87.04540	1.4
89.02440	16.1
95.01396	2.7
96.96017	1.5
97.02906	1.6
101.01778	1.2
101.02448	6.0
111.04486	1.5
111.98166	1.2
113.02442	8.7
119.03522	1.7
125.02419	2.3
133.10234	2.3
135.08270	1.8
135.11818	20.2
137.02446	6.0
152.04761	1.4
159.11852	1.4
161.09729	14.6
161.13423	9.2
165.01933	2.6
175.07657	2.7
179.05594	1.9
179.10783	100.0
203.10797	9.7
205.12378	2.2
223.09790	61.4
229.08696	1.5
265.10834	1.6
320.27005	1.3
323.12741	1.3
331.45203	1.3
367.11737	1.9
385.14929	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32264	0.9
55.01877	1.7
55.94258	0.9
59.01384	24.7
69.03474	1.1
70.86869	0.9
71.01392	13.8
72.99328	1.4
73.02963	5.2
81.07114	1.7
81.23771	0.9
83.05054	0.9
85.02962	10.6
87.04536	3.7
89.02473	6.1
95.01417	3.9
96.96031	1.2
101.02486	4.2
109.06631	2.1
111.04537	1.8
113.02450	16.9
114.40686	1.2
118.04341	1.1
125.06079	4.3
133.10298	1.6
135.08208	1.3
135.11794	21.5
159.08153	4.0
159.11806	4.0
161.09753	11.0
163.29497	1.0
175.11264	1.3
177.12938	5.5
179.10791	100.0
203.10754	2.4
205.08722	3.7
221.11893	4.8
223.07785	2.1
223.09799	39.7
265.10785	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	45.4
71.01382	20.7
74.80602	2.3
85.02979	3.7
89.02412	19.4
92.66648	2.4
98.09501	2.1
101.02432	5.0
109.06631	2.3
113.02480	9.4
119.03432	2.8
135.11855	17.7
137.02423	5.6
146.32025	2.4
161.09697	10.1
165.01956	11.3
172.05348	3.2
179.10788	100.0
201.09137	5.3
203.10709	3.4
223.09796	45.3
240.86275	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	385.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48290	0.2
54.82662	0.3
59.01112	0.3
59.01384	6.0
59.94704	0.3
61.98826	1.1
72.37415	0.2
79.94528	0.3
92.10141	0.4
96.96006	1.5
100.15366	0.3
108.69350	0.3
119.05023	100.0
120.05288	0.4
142.45168	0.3
163.04018	62.4
277.57199	0.3
327.10962	0.4
385.11832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.5
61.08250	0.3
62.06122	0.4
67.38492	0.3
79.95731	0.5
93.03472	0.6
96.96006	32.6
96.96962	1.5
101.90359	0.3
106.51105	0.3
118.41509	0.4
119.05024	1.7
121.02953	12.5
129.40543	0.4
134.03836	0.4
135.04507	2.0
136.59528	0.3
137.06107	0.8
141.44872	0.4
149.02449	100.0
152.01167	2.9
162.03146	0.5
163.04044	4.4
164.04799	75.4
165.01924	0.7
169.05057	1.4
174.01801	0.4
179.07150	19.1
182.20543	0.4
191.03473	0.4
193.01422	9.1
208.03801	18.8
223.06143	62.1
265.07300	0.7
288.09738	0.4
305.36359	0.4
311.07996	0.4
385.11591	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	385.1298
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
53.15173	1.5
56.54727	1.7
57.03451	21.6
58.52449	1.7
59.01385	39.9
69.03471	2.5
71.01396	3.7
81.03478	12.3
83.01413	13.2
83.05037	2.8
85.02966	2.3
93.03455	3.8
95.05029	4.2
96.96019	2.5
97.02963	12.4
105.13594	2.1
107.05054	3.4
109.02964	7.5
114.65536	2.2
121.02952	4.7
122.03732	27.2
123.04510	3.3
124.01781	2.5
125.02450	88.8
128.99377	1.9
135.04529	2.9
136.01686	8.2
136.05305	14.1
137.02443	76.5
138.03229	3.8
147.04575	3.8
148.05325	13.2
150.03226	17.4
151.04057	3.5
159.04509	3.4
161.02464	4.6
162.03261	10.8
164.01184	12.2
165.01942	39.6
167.03551	4.3
172.05318	4.9
173.09743	1.9
175.04062	3.4
177.01959	2.6
177.09218	61.0
179.03516	17.3
189.09253	8.8
191.10780	24.2
201.09239	9.3
202.06285	2.3
204.04317	3.4
205.08754	18.1
213.05626	3.6
217.08826	4.4
219.10339	36.3
229.12384	3.5
231.10054	2.9
245.08301	3.2
247.09802	21.6
259.09732	8.8
271.13480	8.3
273.11368	3.4
288.06421	3.5
301.10837	10.3
313.14584	14.6
341.13882	20.7
385.13034	100.0
385.18146	5.7
387.34921	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	385.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37992	1.2
57.03460	2.0
59.01383	100.0
59.70361	1.3
61.98838	2.3
64.30910	1.4
66.14503	1.3
78.95059	1.3
83.05050	1.8
84.29006	1.5
85.02960	1.8
87.04525	1.6
109.79339	1.4
121.02952	12.2
147.04530	1.6
176.48445	1.5
259.55051	1.4
300.60800	1.3
318.82974	1.7
385.22141	2.4
395.56152	1.5
401.05615	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	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51965	0.7
57.21046	0.7
57.34346	0.8
58.59396	0.8
59.01384	100.0
59.52640	0.8
62.37812	0.7
64.72111	0.7
74.64186	0.8
77.46528	0.8
78.89494	0.8
85.50584	0.9
90.47114	1.0
101.12849	1.0
107.05389	1.0
121.09457	1.0
205.40460	1.0
257.35324	1.0
298.76447	1.0
301.05853	0.9
322.12439	1.0
327.68503	0.9
349.14230	0.9
395.41098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
71.01393	0.3
72.99313	0.2
77.03648	0.2
77.74899	0.2
78.95917	2.5
79.95744	1.8
87.08241	0.2
88.10149	0.2
89.02457	0.3
96.96014	100.0
96.96899	5.0
107.89526	0.2
109.51591	0.2
109.52332	0.2
133.94989	0.2
193.07153	0.2
273.89536	0.2
296.03558	0.2
402.69250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.3
61.98853	1.1
63.44799	1.0
71.01381	1.5
73.02959	4.0
75.00897	1.8
80.36564	0.9
83.01430	1.4
85.02950	2.4
87.00885	5.3
90.07086	0.9
96.95997	15.3
99.00906	1.1
99.08189	0.9
101.02477	3.9
113.99536	1.7
115.00368	8.5
119.05038	4.1
124.27953	1.2
135.40988	0.9
143.04616	1.6
151.00424	2.4
163.04013	8.2
174.01706	60.0
175.02486	5.1
179.07091	1.2
187.06178	1.5
194.05856	1.4
207.98416	1.0
209.08267	2.4
210.65520	1.0
239.09337	1.6
262.05914	0.9
267.08740	1.5
295.08182	7.4
325.09317	14.3
385.11478	100.0
386.11755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01385	11.8
61.73993	0.8
61.98844	0.6
65.56554	0.7
71.01392	0.7
73.02962	0.7
89.15285	0.6
93.03470	4.1
96.96026	5.0
101.36433	0.7
121.02968	13.1
135.04530	6.1
137.02435	1.2
149.02452	80.1
151.03976	1.0
152.01147	11.0
159.86763	0.6
163.04007	11.0
163.07625	1.5
164.04808	52.3
165.01955	3.8
169.05074	4.3
179.07144	17.5
190.02718	4.2
193.01437	36.3
205.05054	1.5
208.03801	63.2
223.06151	100.0
254.35915	0.8
268.13998	0.7
385.11600	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	383.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90447	3.4
59.01384	100.0
59.01652	5.3
69.03468	4.4
78.95965	5.3
80.18494	3.6
184.70973	3.9
231.16446	3.9
238.58157	4.5
309.20715	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	383.1351
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
53.63742	0.2
59.01380	2.0
65.03979	0.2
65.72000	0.2
67.42535	0.2
71.01377	0.8
76.58565	0.2
85.02945	0.2
86.98069	0.2
89.02421	0.3
93.03452	86.6
94.03780	0.4
96.95956	0.3
116.52171	0.2
137.02444	100.0
138.02762	0.4
161.32253	0.2
213.01695	0.2
301.03470	0.3
346.98837	0.2
383.13724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50504	0.7
54.57773	0.7
59.01383	59.1
78.95906	1.8
83.10795	0.8
96.96001	6.7
96.96967	3.1
102.17798	0.8
126.99303	1.0
165.81934	1.1
185.11841	100.0
255.52858	1.0
347.54642	1.1
359.25208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69356	0.5
57.03461	1.0
59.01382	12.1
60.64592	0.5
68.99589	3.7
69.03491	0.6
93.03448	0.7
96.96036	1.0
96.96966	0.5
107.05077	0.7
112.98573	3.8
121.02954	100.0
123.08155	0.7
125.06074	6.1
133.06667	1.0
135.04529	2.6
136.05289	6.8
145.58588	0.6
145.89101	1.0
150.06906	0.8
151.07654	90.7
152.08049	1.0
162.89438	0.9
171.08023	0.7
171.11847	0.7
184.08957	4.0
187.07727	0.6
187.11383	0.7
189.09239	0.7
189.13069	0.8
199.11313	1.1
201.09303	1.1
202.10184	0.8
215.10857	0.7
217.12271	5.5
243.00931	0.9
257.72845	0.6
261.11456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42873	0.5
54.06961	0.4
56.97068	0.4
57.03460	1.2
59.01386	4.9
64.60019	0.5
67.05549	2.5
71.01405	0.6
71.05049	0.7
72.99313	13.3
75.00897	1.0
82.95466	0.7
85.02982	2.9
85.06609	8.8
87.04539	3.3
88.93935	0.6
92.10023	0.5
96.96018	6.1
98.16090	0.5
99.04533	2.0
101.02455	2.5
101.06084	92.4
115.04017	38.7
117.05627	0.7
129.05597	27.3
145.05086	8.6
147.06737	0.9
161.04605	2.4
173.04442	0.9
191.05640	100.0
375.62808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82974	0.3
59.01384	1.7
67.01923	0.2
71.01389	0.3
81.03471	0.3
83.05037	0.4
85.02954	11.3
87.00878	2.5
92.51334	0.2
93.03442	3.1
99.04536	0.5
109.02963	0.6
111.04531	1.3
127.04020	3.1
171.03064	0.5
173.04587	1.7
191.05637	100.0
192.05989	0.3
195.59087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82974	0.3
59.01384	1.7
67.01923	0.2
71.01389	0.3
81.03471	0.3
83.05037	0.4
85.02954	11.3
87.00878	2.5
92.51334	0.2
93.03442	3.1
99.04536	0.5
109.02963	0.6
111.04531	1.3
127.04020	3.1
171.03064	0.5
173.04587	1.7
191.05637	100.0
192.05989	0.3
195.59087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09707	1.7
56.97363	1.6
57.03463	4.7
59.01391	31.0
61.98855	3.7
68.99816	2.9
71.01384	25.0
72.99305	2.6
75.00897	4.0
83.01400	7.8
85.02972	2.4
87.00874	14.5
89.02473	4.6
95.01385	2.3
96.96030	13.0
99.00879	26.7
101.02448	2.7
111.00914	10.5
112.98814	100.0
113.02417	3.4
115.00380	2.9
116.80434	2.1
123.00865	7.4
129.92407	2.4
130.46109	2.0
135.04541	9.3
138.03252	2.8
142.51822	2.3
142.99860	4.0
145.01428	2.6
145.02933	2.1
149.02405	4.6
153.05537	2.2
156.02100	2.0
161.02454	18.4
161.04564	2.1
163.04010	53.5
164.04796	24.1
165.05598	3.9
173.00990	12.3
173.02426	3.2
174.01723	4.6
175.04019	12.4
176.04793	10.2
177.01993	3.0
177.05661	3.5
178.06393	28.1
179.03514	10.8
179.07144	33.1
184.53595	2.4
189.02005	3.8
190.02768	3.0
191.03505	35.9
191.07162	5.0
192.04285	3.1
193.05066	14.1
193.08751	9.3
194.05795	3.7
203.03546	12.9
203.93086	2.1
205.05087	13.7
206.05882	8.5
207.06613	4.1
208.07434	2.9
219.03085	4.2
221.04642	2.5
221.08221	10.4
231.03145	3.3
236.07170	2.5
247.02478	11.9
247.06123	2.2
249.07803	2.5
251.09322	3.1
262.04880	11.4
265.07272	50.6
277.07159	34.4
295.08252	35.9
305.06693	2.2
323.17261	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	383.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.6
57.03460	6.7
59.01386	8.9
63.14906	0.7
66.20407	0.6
67.01897	1.6
68.99829	1.4
71.01385	30.4
72.99314	1.3
73.02943	4.9
73.38168	0.6
74.00684	0.6
78.13761	0.6
83.01388	8.3
85.02959	14.7
85.03448	0.8
87.00874	7.4
92.10833	0.7
93.03457	4.0
99.00878	28.7
101.06087	1.3
101.74361	0.7
109.02919	0.9
111.00886	13.5
111.04531	1.4
112.98811	77.3
115.00361	3.7
115.47520	0.7
119.30381	0.7
124.98796	3.3
127.03990	2.9
128.39404	0.7
129.01955	9.2
142.99869	36.1
145.01392	3.0
172.99393	1.5
173.00912	42.7
173.04477	1.2
175.02467	1.5
191.01984	3.9
191.05624	100.0
192.05801	0.8
209.74176	0.6
347.02719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87329	0.2
56.72181	0.2
59.01390	1.4
67.01888	0.3
67.90865	0.2
70.27533	0.2
71.01386	1.4
73.02974	0.2
81.03476	0.2
83.05041	0.4
85.02955	11.3
87.00874	2.4
92.10803	0.6
93.03442	2.9
99.04534	0.3
101.06034	0.2
109.02959	0.9
111.04510	1.0
112.98814	0.5
127.04022	3.0
136.35315	0.2
151.63036	0.2
155.03465	0.3
163.44412	0.2
171.03020	0.4
173.04529	1.6
174.96352	0.2
176.16554	0.2
191.05615	100.0
192.05890	0.3
215.38564	0.2
314.40146	0.2
324.35800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.7
59.01394	12.6
61.98843	8.5
71.01395	7.4
72.22148	0.6
73.02974	0.7
75.00871	15.9
75.90289	0.6
78.65656	0.7
80.91698	1.0
83.01463	0.9
85.02969	3.0
87.00880	11.6
89.02454	4.4
101.02448	4.1
113.02460	1.3
115.05536	7.3
116.05111	3.0
122.77354	0.6
130.06619	9.0
132.04572	24.9
144.04547	1.3
146.06158	0.7
153.80763	0.7
157.05374	1.5
158.06128	100.0
172.31152	0.6
174.05615	3.0
176.37576	0.6
202.05142	29.8
202.28674	0.6
214.70723	0.8
220.06204	5.2
237.06198	4.8
249.06133	7.1
256.80560	0.7
262.07355	0.7
275.44379	0.7
382.11520	37.6
385.89868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20366	0.3
59.01384	100.0
68.06873	0.3
70.11190	0.3
70.49027	0.3
131.12004	0.4
147.30679	0.3
193.85655	0.3
215.54446	0.4
258.68604	0.3
322.27551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.7
61.98832	34.7
62.11259	1.0
71.01379	17.3
73.02943	4.6
83.01411	2.1
84.04559	2.1
85.02971	2.2
89.02483	1.8
96.95988	12.7
101.02454	2.1
101.77004	1.0
107.03649	1.5
110.02482	2.9
112.04047	41.6
112.04759	1.9
113.02474	8.2
115.00381	9.7
116.78661	1.2
122.06133	1.6
122.32828	1.1
124.04041	29.2
128.03069	1.1
133.03978	1.7
134.04730	100.0
135.06841	1.4
140.07201	12.1
155.87418	1.1
162.07864	8.1
162.99483	1.2
166.05096	48.8
176.03523	5.9
184.06157	83.2
206.06889	19.8
208.06198	2.3
226.07251	20.9
250.05893	1.5
256.08203	4.8
266.08957	2.8
286.09387	2.5
321.85181	1.2
330.71515	1.2
346.11682	2.7
363.72552	1.3
375.99435	1.2
382.10129	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55797	0.7
59.01384	14.8
61.98831	1.5
71.01380	7.7
73.02952	1.8
75.00870	14.5
78.10077	0.7
83.16740	0.8
85.02973	1.5
87.00875	12.7
89.02453	3.5
95.01331	0.9
96.96021	0.8
101.02447	3.8
103.91985	1.1
104.92802	1.0
110.95985	0.7
113.02464	1.9
115.05542	7.2
116.05051	3.9
130.06606	9.9
131.67746	0.8
132.04550	25.2
144.04550	1.5
158.06119	100.0
160.23643	1.1
161.02461	1.8
174.05576	1.7
176.03571	3.0
177.06898	0.7
179.39752	0.7
202.05101	24.7
210.79739	0.8
217.83531	0.8
220.06189	2.9
237.06183	4.7
249.06149	5.1
382.11484	37.2
382.16962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29797	0.3
51.48690	0.3
54.82678	0.3
59.01384	100.0
61.98821	0.4
64.12711	0.4
71.81995	0.4
78.95912	0.7
92.10815	0.8
126.81928	0.4
137.09705	0.6
167.10736	1.5
169.12335	2.0
174.99254	1.5
185.11864	1.5
201.02634	0.4
217.00302	4.7
381.22745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1567
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.32413	0.6
59.01385	31.5
61.98847	1.8
71.01380	41.7
71.05019	12.4
72.99315	1.5
73.02955	1.2
83.01402	0.8
85.02956	5.7
88.04066	6.3
89.02447	11.4
96.96009	1.0
99.04529	3.1
101.02450	12.5
113.02446	6.8
116.07185	1.4
119.03467	5.5
124.80572	0.8
128.07207	3.4
142.39943	0.8
146.08244	85.7
200.09341	1.0
308.13562	6.4
362.14590	1.4
380.15680	100.0
381.15961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71038	0.7
53.51146	0.7
55.01907	1.3
56.68055	0.8
57.03473	1.0
58.00617	1.0
59.01394	69.1
71.01391	29.2
72.99316	4.0
73.02957	4.8
75.00878	0.9
83.01393	4.6
85.02955	10.1
86.26431	0.8
87.00897	1.2
89.02445	23.0
92.10114	0.8
95.86641	0.7
96.96013	1.9
99.00883	1.3
101.02439	21.9
113.02453	11.2
119.03514	11.2
127.11374	1.0
157.12422	1.2
158.06117	1.5
161.02426	1.0
161.04497	1.6
163.03081	1.0
183.10286	0.9
199.15625	0.8
201.11334	4.4
219.12444	7.5
291.33841	0.8
363.16907	3.3
381.17706	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	381.1922
Annotation	Viguilenin
Peak:m/z	Relative Intensity
50.45202	0.4
51.30805	0.5
55.01904	0.4
56.63791	0.5
56.78760	0.4
57.03453	0.5
58.00605	1.1
59.01394	3.3
61.98848	2.1
67.05093	0.4
69.03476	2.0
70.52111	0.4
70.65391	0.4
71.01391	1.0
73.02961	2.0
74.69217	0.5
85.03004	0.9
87.01310	0.5
96.96014	1.2
99.00906	0.6
101.02429	0.6
112.21326	0.6
113.06104	0.6
118.85367	0.5
137.09712	4.7
164.57863	0.5
191.14435	0.5
223.23503	0.5
229.15794	0.5
243.17375	0.6
245.19180	3.1
249.13431	2.3
255.17673	0.7
257.15463	1.1
257.19281	1.0
263.20282	1.0
263.55844	0.5
273.18668	1.1
319.19186	0.8
335.18396	1.1
337.20255	50.3
338.20630	0.6
380.63312	0.6
381.19241	100.0
382.19662	2.3
393.94760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
59.01598	0.7
88.58435	0.8
97.72289	0.9
158.32051	0.9
177.94832	0.9
192.37267	0.9
217.00407	1.7
231.15047	0.9
299.20187	100.0
300.20676	1.4
375.77060	1.0
381.20450	24.7
381.24777	1.4
386.09644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54368	0.4
51.76868	0.4
53.41969	0.4
59.01387	100.0
67.03802	0.4
71.01397	2.4
73.02963	1.0
79.30518	0.4
83.01411	0.7
83.05062	0.6
84.51077	0.5
85.02959	2.0
89.60861	0.5
92.10117	1.8
94.12298	0.5
96.95993	1.6
101.02442	3.2
107.51465	0.4
113.02467	1.9
161.04533	1.8
176.08456	7.4
177.09203	2.4
263.95584	0.5
266.68948	0.5
321.19241	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15368	0.6
52.67363	0.7
57.73469	0.7
59.01385	100.0
64.48068	0.7
65.78254	0.7
67.85731	0.7
69.37495	0.7
78.36505	0.8
80.83772	0.8
130.63174	0.8
154.19795	0.9
174.99182	1.7
201.02580	1.0
211.07530	0.9
217.00319	8.7
270.34885	0.8
374.52219	1.0
378.55157	1.0
399.18991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40602	0.5
54.70757	0.5
59.01383	100.0
80.38155	0.5
83.05080	0.7
101.06114	0.6
103.16859	0.5
139.11263	0.6
174.99226	2.4
217.00298	6.4
321.20593	1.0
322.01883	0.6
400.12885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49637	0.4
59.01387	100.0
71.01384	4.3
73.02953	1.9
83.01408	0.6
85.02961	2.9
89.02448	1.1
101.02458	3.7
101.21932	0.5
113.02466	2.7
119.03519	1.0
119.43457	0.6
161.04533	2.4
161.34033	0.5
166.04875	0.5
203.33650	0.5
319.17688	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	380.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11318	0.9
51.84683	0.9
51.85595	0.7
55.77155	0.8
57.03453	1.7
59.01385	12.4
60.02638	0.9
61.98835	18.8
63.02409	2.6
65.00336	5.2
68.99798	1.0
71.01373	2.0
75.65750	1.0
82.63412	1.3
83.01405	5.9
89.02449	1.8
91.01861	1.0
95.01369	8.1
101.02398	1.3
107.01386	14.6
108.02166	1.7
109.02947	100.0
123.00824	1.4
124.01634	4.3
125.02415	14.6
128.95052	1.0
133.02946	1.6
134.04857	1.1
135.00882	9.8
137.02457	1.0
138.82491	1.2
148.72404	1.1
151.00374	48.4
152.01158	23.1
153.01941	29.7
155.10741	2.5
156.11078	1.4
159.04556	1.4
161.02481	1.5
163.00380	61.0
164.01076	1.5
165.83986	0.9
169.01398	5.0
175.04018	4.5
178.99861	27.8
181.01474	1.9
183.04495	2.1
187.03973	1.9
190.99889	35.4
200.10088	1.3
203.03557	1.9
205.95387	1.0
206.99364	29.7
208.00124	11.7
211.03961	6.3
217.05122	1.9
227.03555	16.4
231.02972	4.7
234.83557	1.2
236.05603	1.3
245.04626	1.9
255.02939	15.8
264.63226	1.1
271.02505	5.0
273.04141	3.9
282.35217	1.2
299.01889	13.6
311.45212	1.2
317.03055	72.4
379.15945	2.3
380.16339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	0.7
59.01384	54.9
61.98834	42.6
68.82544	0.7
71.01384	3.8
72.99303	1.7
80.44574	0.6
85.02928	1.3
89.02453	1.3
96.96007	30.1
98.95578	1.1
101.02453	1.3
102.80582	0.7
109.02957	10.1
113.02448	1.7
113.06078	1.8
114.05608	100.0
114.09229	1.5
119.03503	1.5
137.81134	0.7
142.08737	3.0
144.76227	0.9
153.01938	15.5
156.06674	77.9
170.08226	3.9
198.07745	4.3
222.04442	1.3
251.15469	0.7
271.04401	0.9
315.07224	6.2
321.46399	0.8
343.10617	1.1
367.57507	1.0
380.43240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28275	0.8
55.01893	1.9
56.58847	0.9
57.03464	3.9
57.14815	1.0
59.01382	9.2
66.56325	0.9
68.98489	0.9
71.01382	21.6
72.99310	2.4
73.02948	5.4
78.95924	1.1
83.01390	6.6
83.05018	1.2
85.01041	1.0
85.02956	4.0
85.06584	4.9
87.00855	3.5
88.04029	1.2
89.02436	1.8
93.03454	1.3
96.96008	100.0
96.96905	7.7
98.95603	2.3
99.00879	26.5
101.02434	1.4
111.00861	7.2
111.04517	4.9
112.98816	57.7
115.00377	6.0
124.98796	4.2
127.00334	1.7
129.01921	2.2
129.05530	2.4
131.45256	1.0
133.17694	1.3
142.99870	45.2
145.01431	6.0
145.51491	1.0
155.03473	3.8
173.00920	40.0
173.04550	15.0
182.04362	1.3
191.03714	2.4
205.03563	4.0
231.03204	4.6
233.04727	5.1
379.06903	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	379.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22046	0.3
59.01380	0.8
60.99003	0.7
60.99316	17.1
62.15213	0.3
77.71211	0.3
84.34088	0.3
88.98817	100.0
114.20906	0.4
134.99506	0.4
144.56166	0.4
145.71283	0.3
215.19032	0.4
224.23206	0.4
257.55658	0.4
265.73981	0.5
289.07007	0.5
396.72202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.2
57.03452	2.9
57.93872	1.1
59.01392	7.1
59.39988	1.0
60.61363	1.1
64.53030	1.1
65.03978	1.1
69.03493	2.7
70.62216	1.1
71.01379	22.5
72.99316	2.6
73.02943	38.1
75.00868	1.5
81.03460	2.6
83.01378	3.0
83.05029	13.1
85.02956	19.0
87.00859	1.5
93.03451	81.3
96.96016	11.0
98.02489	5.5
99.00875	29.2
99.04526	10.3
111.00887	10.7
111.04526	33.6
112.98814	39.9
115.00367	2.5
116.03542	10.7
124.98812	1.8
129.01930	6.8
137.02437	23.6
142.62697	1.4
142.99864	32.1
143.03519	7.0
143.04535	3.5
144.03047	13.9
145.01419	5.4
155.03517	14.1
159.03113	1.3
173.00954	24.2
173.04543	100.0
187.03613	19.5
193.23035	1.4
205.03508	8.0
224.34509	1.6
261.18817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Lamiol
Peak:m/z	Relative Intensity
51.17372	0.4
54.60777	0.5
55.01884	1.2
56.73553	0.5
57.03456	0.6
58.00600	0.6
59.01383	61.5
61.98841	0.6
63.34322	0.5
71.01378	18.7
71.05742	0.5
72.99322	2.2
73.02953	1.0
81.03478	0.7
82.95429	2.6
83.01410	1.2
83.75967	0.6
85.02959	4.8
87.00890	1.1
89.02441	13.0
95.01404	1.0
96.96024	0.8
99.04543	0.6
101.02439	10.1
109.85133	0.5
111.00919	1.2
113.02453	6.1
117.03420	0.6
119.03498	5.1
121.41462	0.6
125.09730	10.6
128.98273	0.6
133.02956	27.3
135.04526	10.3
135.08134	0.8
137.06073	0.6
146.86406	0.5
149.06049	0.7
151.07724	0.8
153.09248	5.9
161.02454	100.0
162.02785	0.6
169.08682	4.7
171.10345	4.4
175.05943	0.5
177.05522	1.3
179.03511	14.4
179.07132	0.6
197.08206	4.6
203.03542	1.1
211.09662	1.7
214.99960	0.5
215.09279	39.5
221.04584	0.8
236.37456	0.5
257.10376	2.2
259.80737	0.6
317.16022	0.6
336.11401	0.5
341.08817	24.9
377.14587	75.3
378.14948	0.6
386.92917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35061	0.6
57.03455	5.5
59.01385	100.0
60.10746	0.8
61.98845	3.1
71.01402	1.3
71.10287	0.7
72.99303	0.9
73.02953	0.7
75.00868	1.0
83.05027	13.9
85.02934	1.1
87.18363	0.7
101.89139	0.8
111.04531	0.8
164.04846	1.2
182.20119	0.8
223.51691	0.9
263.94812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94805	0.9
57.03465	1.1
59.01385	36.5
60.35074	1.2
61.99364	1.0
77.42011	1.2
78.92864	1.0
83.05042	1.2
97.06644	1.3
113.09732	2.8
139.04027	2.0
142.07622	1.3
143.13580	1.2
183.13907	5.6
186.74510	1.3
195.13927	18.8
277.21768	21.9
282.46515	1.7
295.22821	100.0
317.13031	1.6
322.80261	1.6
365.89362	1.3
377.23166	26.7
391.10806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16614	1.6
57.92766	1.5
59.01385	32.2
76.57256	1.9
97.06538	2.2
125.09766	2.6
132.85120	2.0
139.03983	2.4
142.98787	1.7
170.08514	2.0
171.10286	34.8
183.10275	9.8
207.10335	13.3
249.22179	2.1
265.58255	1.9
277.21793	43.6
295.22839	100.0
317.21100	40.8
377.23242	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.3
61.98840	100.0
66.08672	0.3
77.17328	0.3
85.78233	0.3
96.96008	1.5
122.59466	0.4
131.24120	0.4
135.04527	0.4
142.01839	0.4
153.05573	0.8
242.38506	0.4
251.70375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01511	0.6
53.51080	0.6
59.01391	34.8
63.08242	0.6
70.27918	0.7
71.01391	22.6
72.99354	1.0
73.02966	1.7
75.52639	0.7
78.95943	1.1
83.01398	1.5
85.02950	6.9
87.00881	7.1
89.02452	36.5
95.01421	1.0
97.02989	1.1
99.00890	1.2
101.02456	16.8
108.75581	0.7
113.02461	8.9
119.03519	8.2
125.02460	2.8
143.03517	4.2
149.04550	1.3
155.88606	0.8
161.04575	13.7
179.05624	22.0
225.33894	0.8
249.43983	0.8
280.87067	4.4
291.01428	0.7
298.88440	0.7
341.10938	100.0
377.08624	78.1
378.08136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74026	3.0
59.01387	100.0
60.87848	2.3
61.98850	6.3
61.99643	2.5
64.34445	3.9
64.34755	2.8
65.96877	2.3
67.42259	2.5
70.28378	2.8
71.01396	5.8
72.21420	2.8
73.41517	3.2
78.91299	3.0
85.02930	3.5
86.60201	2.8
88.98846	5.6
89.02441	6.1
92.65352	3.0
96.96059	2.7
122.58363	3.9
161.02544	4.6
187.04060	4.0
202.61127	3.5
215.03539	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67899	0.2
56.95689	0.2
57.03454	0.4
59.01388	33.8
61.98830	1.4
71.01387	4.4
72.99314	0.4
73.02953	1.1
78.95905	1.1
79.95730	1.6
83.01415	0.5
85.02969	2.0
89.02445	3.2
95.01382	0.3
96.96008	100.0
97.02905	0.4
98.95592	0.5
101.02443	2.8
110.83408	0.2
111.04476	1.6
113.01777	0.2
113.02429	1.9
114.05623	1.0
119.03461	1.1
135.04434	0.2
137.02400	0.3
137.06061	0.5
155.03528	0.4
161.04546	2.3
173.04570	0.3
183.06796	0.3
279.10803	1.3
317.12451	7.2
317.16064	0.5
348.40909	0.3
402.01614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	65.6
59.59699	38.3
62.87682	39.8
78.95942	61.3
83.59650	43.7
92.10104	100.0
174.46144	46.7
184.70087	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.11630	0.5
66.43717	0.5
79.20535	0.5
92.10117	1.9
96.72567	0.6
111.08172	4.5
122.53632	0.6
155.07106	0.9
177.12943	0.8
221.11925	1.1
247.26062	0.7
288.40414	0.6
355.37411	0.7
362.87451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94853	0.9
55.29619	0.8
57.15331	0.8
59.01379	11.1
61.98832	100.0
68.96744	0.9
71.01370	1.1
76.57884	0.9
98.38619	1.0
125.61491	0.9
130.89842	0.8
175.32086	0.9
206.06619	1.1
276.30411	0.9
313.56281	1.0
340.12390	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	377.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41068	0.3
56.46834	0.3
59.01389	8.9
71.01382	3.5
76.30431	0.3
85.02956	0.6
89.02444	2.9
96.96066	0.4
100.82085	0.3
101.02450	1.7
102.83924	0.4
113.02426	0.7
119.03505	0.5
132.02151	0.5
133.02951	25.8
135.04520	7.9
161.02454	100.0
162.02840	0.4
177.01874	0.6
177.05537	0.8
179.03508	11.3
203.03490	1.9
215.09285	0.7
215.20920	0.3
221.04619	0.8
229.00060	0.4
337.69043	0.4
341.08804	29.8
342.09436	0.5
377.14670	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	377.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03460	0.5
59.01389	19.6
61.98825	0.2
63.54333	0.2
68.02894	0.2
71.01388	5.8
72.99314	0.9
73.02943	0.5
74.99092	0.3
75.00864	0.2
76.98691	0.4
82.95422	1.8
83.01412	0.9
83.70184	0.2
85.02953	1.8
87.00881	0.5
89.02445	6.3
90.22657	0.2
95.01418	0.4
96.96005	0.5
101.02446	3.4
105.03459	0.2
111.00884	0.4
113.02452	2.2
119.03498	2.2
123.08263	0.4
125.02492	0.2
125.09731	2.8
132.02170	1.0
133.02959	26.5
135.04529	13.2
149.06116	0.8
153.09219	1.7
155.07172	0.5
155.10791	0.2
161.02455	100.0
162.02734	0.5
169.08725	0.9
171.10307	0.5
175.03957	0.4
175.07448	0.3
177.05577	1.7
179.03506	15.6
197.08311	0.8
203.03519	1.9
215.09290	8.8
221.04616	0.9
241.07048	0.2
251.05728	0.2
257.10468	0.4
263.62396	0.2
269.63293	0.2
281.06595	1.2
294.93134	0.2
341.08807	24.3
377.14624	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	377.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45661	0.2
53.38803	0.1
58.33247	0.2
59.01391	0.7
65.90925	0.1
78.95913	2.9
79.95747	2.1
92.10844	0.4
96.96015	100.0
96.96895	3.2
136.24614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56837	1.0
50.75322	1.1
58.94872	1.0
59.01389	7.0
63.60978	1.1
74.99068	1.6
76.57684	1.2
83.93902	1.2
146.24155	1.2
159.08464	17.9
161.06395	2.9
209.01328	2.1
252.01389	1.4
261.41980	1.3
289.07819	1.6
291.09140	89.0
292.09213	2.0
309.10013	1.9
359.15424	100.0
362.50000	1.3
375.18524	8.7
387.43060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62728	0.6
53.02074	0.6
57.23740	0.6
60.00214	0.7
74.99079	2.9
79.67686	0.8
93.00143	0.9
107.30059	0.7
159.08476	15.7
161.06476	5.7
169.25630	0.8
209.01294	2.8
217.07228	0.9
275.06314	0.8
277.07617	5.1
279.23434	1.1
289.07516	1.4
291.09137	100.0
309.10162	1.6
357.13995	1.4
359.15427	99.5
360.15430	1.6
375.18484	5.9
375.26309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
59.01383	100.0
61.98837	0.8
69.03493	0.5
75.00885	0.9
83.05024	27.4
92.26827	0.4
93.07114	0.9
96.92092	0.5
99.04532	0.5
103.22709	0.5
121.06612	0.6
123.08147	1.0
135.08124	1.0
160.51360	0.4
163.11272	0.9
217.00313	2.6
347.30478	0.5
387.54541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48174	0.4
54.83096	0.5
59.01385	100.0
68.09988	0.6
71.01387	2.1
72.99323	0.8
79.77640	0.6
88.98793	1.1
89.02447	9.3
101.02447	0.8
102.36818	0.6
119.03484	0.8
128.70688	0.6
157.37988	0.5
164.12746	0.5
174.99246	0.9
217.00330	2.7
241.35574	0.5
247.15074	0.5
304.63623	0.6
381.84451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	5.1
57.03468	3.3
58.00611	1.8
59.01393	67.0
65.70077	0.9
69.03471	1.7
71.01386	32.3
72.99323	1.6
73.02963	4.6
80.02681	1.2
83.01393	3.1
85.02950	12.0
89.02448	22.9
92.10193	1.1
94.04236	1.9
95.01415	1.9
95.05022	6.7
97.06590	3.3
98.03738	12.9
99.00882	1.5
101.02436	14.8
107.05025	9.8
113.02467	11.8
119.03466	6.5
133.10207	0.9
141.12843	0.9
149.09720	5.8
151.11298	100.0
154.10019	2.1
161.04559	2.0
163.27625	1.0
169.12343	15.0
195.10283	81.8
206.66698	0.8
326.26053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60662	0.5
56.19343	0.5
59.01390	12.6
59.79866	0.5
71.01384	7.6
78.19833	0.5
80.91677	2.5
90.80976	0.6
97.51859	0.7
148.05316	1.0
153.83325	0.6
164.08421	0.9
167.46335	0.7
174.99170	0.9
177.09167	5.4
192.11581	9.2
205.12320	4.4
207.13849	0.7
214.95813	0.6
217.00311	4.5
218.09503	2.5
220.14714	44.3
220.24881	0.6
221.15491	100.0
236.10564	76.0
293.17636	29.8
366.06656	0.7
375.17914	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	2.7
57.03469	6.4
58.00615	1.8
58.20008	1.0
59.01390	100.0
61.88871	1.0
71.01385	36.1
71.01771	1.5
72.99330	4.6
73.02959	2.2
83.01411	5.2
85.02956	16.9
87.00885	2.2
89.02445	40.6
95.01379	5.5
101.02438	29.3
110.03729	1.6
113.02458	15.2
117.89895	1.2
119.03513	18.1
125.06113	5.1
127.04083	1.7
137.06096	2.1
179.05602	1.4
190.26016	1.2
191.05635	60.5
192.05980	1.5
193.06203	1.5
201.41162	1.2
267.87024	1.1
337.09338	5.4
357.15579	5.9
370.93164	1.3
375.16632	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51263	1.0
59.01383	99.8
71.01377	40.1
72.99294	1.7
75.92152	1.2
85.02957	5.3
89.02444	52.7
101.02428	2.0
113.02386	2.3
131.03519	1.6
149.04549	3.1
163.11270	3.3
181.10776	2.9
181.12350	78.5
217.40874	1.3
225.11351	100.0
243.12331	2.1
375.16638	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97735	0.6
51.75809	0.6
55.01883	1.2
57.03463	1.4
58.00590	3.4
59.01385	100.0
60.20981	0.7
61.98833	0.8
63.13965	0.7
66.95223	0.7
71.01382	36.8
71.01778	1.4
71.05010	0.9
72.99313	3.0
73.02961	1.1
83.01405	1.6
85.02944	10.0
88.98828	1.8
89.02439	34.9
95.01383	3.3
95.05024	4.7
97.02986	1.1
97.06599	3.2
101.02441	15.5
106.85809	0.8
107.05030	6.5
113.02450	13.4
115.07659	1.6
119.03498	12.1
123.08132	1.1
136.05299	0.9
139.11304	3.9
142.83246	0.8
149.88745	0.9
151.11305	35.1
161.04507	0.9
164.08443	1.1
169.12364	3.3
177.09190	4.5
179.05588	1.7
181.12427	0.9
185.11827	3.5
193.12358	3.6
194.07060	0.9
195.10291	42.7
211.13347	1.5
213.11411	8.9
225.11258	3.2
296.17450	0.9
375.16733	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	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08788	1.1
53.62444	0.9
58.00606	1.1
59.01385	100.0
61.98848	1.4
63.59325	1.3
71.01380	32.5
71.01726	2.0
72.99314	2.5
75.00875	89.1
78.95917	1.3
85.02974	5.7
89.02441	27.4
92.10145	1.7
92.66611	1.1
96.96018	30.3
96.96964	1.5
101.02448	18.5
107.05029	7.4
109.46931	1.2
113.02459	8.2
115.16360	1.2
119.03502	10.3
122.02482	1.3
123.04521	1.4
135.04538	67.8
153.05583	11.2
158.21103	1.3
161.04498	1.6
205.23439	1.6
300.74734	1.3
315.10922	82.2
344.60764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
59.01385	100.0
62.10524	0.6
71.01391	1.6
72.99342	0.6
76.85858	0.7
78.01082	0.7
79.77996	0.5
81.03502	0.7
82.95460	0.9
89.02444	0.6
96.96013	8.3
101.02464	1.3
107.05034	5.3
108.02188	4.4
113.02423	0.8
114.50180	0.7
114.84412	0.6
120.02116	0.8
123.04534	7.7
127.54594	0.6
129.97437	0.6
135.04532	39.3
138.03201	5.5
151.04010	0.7
152.01176	3.6
153.05591	59.4
156.62061	0.6
161.04529	1.1
167.03519	8.2
174.24329	0.6
179.03610	0.6
188.58374	0.6
195.06676	1.0
220.33118	0.6
297.09824	0.8
303.05118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68641	0.5
53.38396	0.4
54.04430	0.6
55.01889	0.4
57.03464	3.1
57.28245	0.5
57.42355	0.4
59.01386	72.5
61.98833	1.2
67.82850	0.5
69.03452	0.9
71.01374	6.4
71.05009	0.5
72.99330	0.8
73.02953	4.0
73.69154	0.6
75.00866	0.7
81.34963	0.5
83.05042	2.7
85.02958	6.5
88.98824	3.1
89.02442	7.2
92.65936	0.5
93.03522	0.8
95.05039	7.8
96.96008	100.0
97.02937	0.9
99.00892	1.0
99.04491	0.7
101.02430	4.5
109.02958	0.9
109.06592	1.3
111.04510	7.7
111.08198	0.8
111.64541	0.6
113.02472	3.5
113.06107	9.8
115.04032	1.4
119.03528	1.2
121.06579	2.6
123.04592	0.6
123.08177	3.2
127.37719	0.7
135.04604	0.7
135.08154	1.1
137.02422	0.7
137.06128	1.3
137.09735	1.2
138.06845	0.6
139.07634	3.0
139.99393	0.7
147.08189	0.5
149.09724	3.9
151.07680	2.5
155.01755	0.9
157.18414	0.6
161.04576	1.2
163.11269	1.3
165.09198	2.8
169.08727	2.4
171.11813	3.2
173.53030	0.6
189.12859	33.5
207.13991	2.5
213.07613	1.2
233.11882	0.8
251.12914	18.5
266.40390	0.6
295.11868	15.9
315.14450	6.4
375.07593	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99350	1.1
54.67842	1.1
56.98035	9.7
57.03457	1.4
59.01385	22.6
60.97521	1.6
64.05356	1.3
68.40299	1.2
71.01375	2.1
72.99319	5.4
73.02946	2.2
74.99091	100.0
84.95139	3.0
85.02958	1.6
85.06585	1.3
87.00865	15.2
89.02477	2.4
95.05029	1.6
96.96020	1.5
101.02428	1.3
111.11031	1.4
113.02437	2.0
117.97207	1.4
118.98038	2.9
120.99626	7.5
125.02431	3.1
131.07115	6.3
133.02942	2.0
134.03729	2.2
135.04485	5.7
135.98309	1.5
136.99118	41.2
138.25920	1.3
142.10518	1.1
153.03070	1.9
161.02463	1.7
167.03453	1.5
169.08730	3.1
173.57130	1.2
177.01892	2.9
179.03569	1.7
189.01804	1.6
190.06277	9.1
191.07178	3.0
192.02499	12.0
201.01630	4.9
205.03273	7.4
205.08658	12.3
206.03976	2.3
207.04880	9.9
220.01994	1.9
224.05171	5.2
235.04420	2.1
236.05090	18.6
237.11395	1.8
239.07458	62.5
251.07471	34.9
251.10092	1.4
293.12540	7.5
375.07089	6.0
375.11188	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.2
58.00589	0.2
59.01388	2.7
69.59300	0.1
70.20200	0.1
71.01380	1.4
72.99335	0.5
76.57751	0.1
78.95906	2.6
79.95737	2.0
85.02945	0.6
87.00879	0.6
89.02441	1.3
94.57905	0.1
96.96008	100.0
96.96893	4.1
98.95599	0.3
101.02431	0.6
108.02192	0.2
110.57876	0.1
111.00750	0.2
113.02468	0.3
117.03501	0.2
119.03448	0.3
122.03724	0.3
123.04499	0.4
134.03716	0.7
135.04497	1.0
145.02936	0.8
146.03693	0.2
149.02467	2.6
149.05968	0.2
150.03238	2.9
153.05556	0.8
161.02452	0.9
162.03275	1.4
164.04805	0.8
165.05562	3.3
177.05533	0.2
180.04224	0.7
195.06635	1.1
208.23114	0.1
234.92885	0.2
315.10895	0.2
357.11911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18644	0.5
56.69520	0.5
59.01375	5.1
61.98836	100.0
62.20485	0.6
96.96035	1.3
107.76670	0.6
117.19217	0.6
125.54141	0.6
129.34482	0.6
133.02977	0.9
139.08911	0.5
268.58380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.01662	6.8
60.15670	3.3
64.11891	3.5
64.35223	4.1
72.95396	3.6
82.76550	3.7
92.10699	4.4
105.52071	4.2
109.02849	4.0
116.92892	15.4
117.77035	3.7
161.70586	4.7
166.91016	7.0
174.99251	33.6
217.00339	78.8
304.00079	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01874	7.5
57.03446	3.5
58.00585	0.8
59.01376	56.8
61.98835	0.8
67.98188	0.7
71.01370	20.4
72.99306	1.2
73.02930	9.0
74.99097	0.6
75.29168	0.6
82.00731	0.8
83.01366	8.4
83.04975	0.8
85.02934	14.7
86.00099	2.8
87.00856	14.1
88.98829	0.9
89.02432	3.3
92.10210	1.1
95.01373	2.6
97.02966	0.7
99.00861	3.1
99.04519	0.9
101.02423	22.3
107.95485	0.7
111.00858	0.7
113.02433	7.0
123.99197	0.7
183.13866	0.9
185.11823	2.8
199.13513	0.7
211.13362	3.5
234.82372	0.6
286.10117	0.7
293.71542	0.8
295.08478	0.7
315.38657	0.7
322.70724	0.7
343.24936	1.5
373.18683	100.0
373.25592	13.7
374.18793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25777	0.4
59.01384	100.0
69.12363	0.4
71.01380	6.8
73.02956	2.4
85.02949	3.7
96.96085	0.5
101.02448	3.4
106.04237	2.3
107.80193	0.5
108.02236	0.7
113.02450	3.6
143.07097	0.6
151.07654	29.2
161.04558	7.9
195.03018	1.0
302.08139	0.5
313.13104	0.5
343.52115	0.4
373.11639	0.9
386.34622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1507
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
51.54833	1.2
55.01894	6.1
57.03461	3.8
59.01389	56.0
59.48555	1.4
62.00369	1.4
63.74487	1.3
71.01398	33.6
72.98167	1.4
72.99316	1.7
73.02959	10.5
76.57793	1.4
81.01318	1.5
81.03479	3.7
82.95436	9.6
83.01394	14.3
83.57608	1.6
85.02959	16.4
87.00885	2.8
89.02456	14.9
90.28043	1.5
99.00896	2.2
101.02445	27.9
101.17296	1.3
113.02459	8.7
119.03548	2.2
120.99680	3.1
123.04520	21.3
125.02441	21.4
137.02454	3.6
149.02420	1.4
151.00410	2.2
151.04013	1.6
152.04910	1.8
161.04584	2.4
163.04018	6.4
164.04881	1.6
165.05531	3.0
166.27444	1.4
167.03513	63.2
181.05087	27.8
186.29134	1.4
193.05081	7.4
195.06581	1.9
196.07443	34.4
211.06177	3.7
211.09772	41.4
236.47406	1.7
358.12775	7.0
373.10388	3.4
373.15088	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	373.1871
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01386	100.0
64.52209	0.2
71.01379	2.6
73.02950	1.1
78.26233	0.3
81.55598	0.3
89.02447	3.4
101.02461	1.7
113.02441	1.3
119.03469	0.5
121.02978	0.4
141.14867	0.3
209.01067	0.3
212.09222	0.4
215.08397	0.3
218.58379	0.4
243.07750	1.3
252.68738	0.3
261.08823	0.4
341.07828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12151	0.5
53.18949	0.5
55.01891	6.5
55.27987	0.5
57.03458	3.3
58.00612	1.0
59.01387	47.2
59.01691	1.6
62.01619	0.5
71.01385	21.6
72.99328	1.2
73.02948	7.8
76.61342	0.7
83.01399	9.7
85.02963	13.6
86.00100	1.3
87.00879	10.7
88.98845	1.1
89.02464	6.8
95.01370	1.5
99.00884	2.9
101.02448	20.9
108.11666	0.6
111.00925	0.9
113.02468	5.5
119.03511	1.3
131.06071	0.7
160.50812	0.6
204.04349	1.1
211.13397	0.7
219.06570	0.8
297.12482	1.5
373.18716	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	371.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06342	0.2
51.85525	0.2
59.01384	100.0
61.19292	0.2
61.98832	0.4
67.59914	0.3
71.05032	0.2
73.02950	0.3
77.46239	0.2
83.05034	0.4
86.68383	0.3
88.98801	0.2
91.81094	0.2
95.05051	0.4
97.06618	0.3
101.06111	0.3
102.53777	0.3
117.05547	1.1
120.67614	0.2
121.02936	0.4
161.09737	0.3
163.09982	0.4
163.11275	4.3
167.10783	2.4
181.12329	0.5
192.40829	0.3
201.11282	0.3
233.15440	0.5
269.17648	0.9
274.78995	0.3
293.17599	0.4
368.45007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97357	0.2
55.01393	0.2
57.03455	0.3
59.01387	100.0
61.24510	0.2
61.98828	0.4
69.40939	0.3
72.14782	0.3
75.00870	0.6
101.02426	0.4
103.74144	0.3
106.60368	0.3
120.09756	0.3
127.65801	0.3
142.89359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07309	0.2
51.37428	0.2
55.89482	0.2
56.74012	0.3
57.65541	0.3
59.01385	100.0
60.01703	0.2
61.98845	0.6
72.25404	0.3
72.83344	0.3
85.26663	0.3
87.00870	0.4
87.04511	0.3
96.96014	4.2
123.08225	0.3
154.31058	0.3
188.43864	0.3
193.13708	0.3
227.62827	0.3
237.55206	0.4
245.11481	0.3
251.16515	0.4
263.05643	0.3
293.03973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07688	0.3
59.01389	1.5
61.98833	0.4
63.38297	0.3
66.11220	0.4
70.38250	0.3
71.01400	2.2
72.99326	1.8
73.02946	0.6
73.95263	0.3
85.02961	0.4
89.02455	0.6
92.05081	2.5
93.03534	0.4
98.59648	0.4
100.12343	0.3
101.02420	0.4
104.05077	12.4
106.37483	0.4
107.05021	1.9
110.06135	0.4
112.80230	0.4
120.04555	23.3
122.06126	0.9
138.05609	0.7
148.04056	100.0
151.04013	0.9
160.04083	0.7
166.05095	40.2
180.06700	0.4
192.03050	20.3
206.04634	4.6
210.04108	24.2
224.05650	9.2
252.05171	8.2
268.15607	0.4
302.06628	0.4
312.07523	0.8
372.09375	0.9
389.85013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75102	67.7
64.34643	76.2
78.15894	77.9
80.37713	84.3
95.62859	88.0
117.46755	89.4
123.40527	76.1
196.60023	86.2
315.75916	87.7
363.30002	100.0
383.88004	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35177	1.4
58.00596	1.5
58.58181	1.2
59.01390	100.0
61.98830	2.5
71.01386	26.8
71.05022	90.8
72.99301	2.2
73.02918	3.1
83.01395	1.7
85.02967	10.7
87.00890	13.0
89.02440	31.7
95.01361	2.1
96.96000	17.4
99.04509	10.9
101.02438	16.7
107.05040	11.5
108.02180	26.2
109.02981	3.3
113.02461	9.2
115.04015	32.9
119.03470	7.0
121.02981	1.4
122.03728	2.0
123.00883	7.2
123.04513	28.1
124.01646	6.5
129.05566	1.9
139.04022	6.0
141.14676	1.6
149.02463	2.3
150.03209	18.1
151.00426	2.9
151.04037	21.7
152.01161	20.3
153.01950	12.1
153.05623	3.2
165.05637	1.6
166.02759	2.5
167.03493	26.7
168.04051	1.6
169.05048	8.5
175.06099	21.4
177.01964	2.5
178.02724	65.9
181.05101	1.8
193.05081	89.0
209.04562	7.4
211.02524	14.2
250.42485	1.4
253.03459	3.1
261.11172	1.6
309.50436	1.6
373.07761	87.8
373.11285	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31618	0.4
59.01379	100.0
67.01880	1.2
71.01392	3.2
71.63671	0.5
81.03441	0.9
82.02991	0.5
83.24208	0.6
85.02946	2.5
87.00861	3.5
89.02435	0.8
92.10167	0.7
93.03441	9.5
101.02452	0.6
111.04520	0.9
113.02406	1.1
113.65874	0.6
119.05005	2.2
123.04529	4.3
125.02403	2.4
133.62143	0.6
150.03267	0.8
151.03989	39.9
163.03987	2.7
167.03465	10.6
173.04482	2.2
191.05608	26.2
193.05113	0.8
241.69748	0.6
247.75107	0.6
337.09277	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	373.1144
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
56.64902	0.2
57.03456	2.1
57.27411	0.2
58.37742	0.2
59.01392	1.1
61.93665	0.2
65.00336	0.8
65.32230	0.2
65.41852	0.2
67.47999	0.2
71.01380	0.3
81.03457	5.8
83.01385	3.5
89.79852	0.2
95.05040	1.0
95.83200	0.2
96.96013	0.3
97.02953	0.7
107.01410	1.1
107.05035	0.8
109.02958	0.4
111.97097	0.2
113.02444	0.2
121.02943	0.3
121.37933	0.2
123.04520	36.5
125.02441	21.7
130.12442	0.2
139.04037	0.4
149.02464	2.7
149.06114	2.9
151.00362	3.2
163.03972	0.3
167.03503	100.0
168.03802	0.3
175.04114	0.2
179.03322	0.2
191.03593	0.9
193.05075	12.6
196.07393	0.3
209.04593	0.3
211.06152	6.0
211.09537	0.2
329.08853	2.0
362.56873	0.2
373.05936	0.2
373.11496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.17785	0.2
57.03460	1.2
59.01394	1.9
65.00328	0.5
75.00896	0.5
81.03465	7.1
83.01398	1.2
83.05033	0.3
99.08191	0.6
101.06065	0.6
107.01414	0.5
122.03744	3.2
123.08181	3.5
125.02442	8.8
125.06083	6.7
139.80287	0.3
149.02435	0.6
151.00406	2.0
165.09213	36.5
168.57602	0.3
191.07185	1.6
209.08221	100.0
210.08572	0.5
215.25323	0.3
251.09271	0.7
371.13516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24871	1.5
54.82911	1.7
59.01387	100.0
60.52557	1.2
61.98840	8.5
65.30662	1.5
72.99307	3.8
75.01121	1.4
85.02969	1.8
87.00907	2.7
92.10126	3.7
94.38829	1.6
96.96040	3.2
121.06654	2.1
130.04248	14.4
131.05026	63.0
141.05446	1.6
147.04517	3.4
149.06099	83.4
191.03499	9.2
205.67053	1.6
209.04550	10.1
209.08186	2.5
339.07269	1.7
371.09882	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	371.135
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01883	1.8
56.39484	0.8
57.03460	1.1
58.00605	1.1
59.01385	100.0
64.72697	0.9
71.01380	32.5
72.99319	2.3
78.00470	0.9
83.01414	1.8
85.02950	8.8
89.02441	39.9
91.05527	1.8
95.01377	1.6
98.20287	0.9
101.02444	20.1
109.10299	1.1
113.02438	15.9
119.03495	13.8
120.99689	2.1
136.05289	1.0
147.08174	1.0
161.04526	1.1
179.05698	1.9
188.32410	1.1
210.94728	1.0
215.61215	1.1
262.58282	1.0
371.13525	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
57.48057	0.2
59.01378	2.4
60.80381	0.2
65.00344	1.0
81.03452	7.0
83.01405	1.5
83.05016	0.2
95.01376	0.2
96.49812	0.2
97.02967	0.2
99.08181	0.8
101.06078	0.4
107.01417	1.1
122.03733	3.1
123.04527	0.4
123.08170	3.7
125.02446	8.3
125.06073	6.7
141.09253	0.3
147.08189	0.2
149.02455	0.7
151.00391	2.8
165.09213	39.1
166.09612	0.3
167.03519	0.2
167.07231	0.2
191.07108	1.7
205.08711	0.3
209.08221	100.0
210.08582	1.0
233.08180	0.4
251.09222	1.1
341.10513	0.2
371.13535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1497
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
50.89122	1.0
51.54053	0.9
53.04804	1.0
59.01387	32.2
71.01388	1.2
75.50900	1.1
84.95184	2.4
123.04539	4.9
132.02208	4.9
160.01692	13.0
167.03505	11.1
173.66412	1.3
197.06152	3.0
211.03967	4.9
225.05597	1.4
242.09518	23.4
244.96156	1.3
245.08266	5.1
246.08957	6.9
254.09518	2.5
257.11838	13.7
258.21191	1.3
262.81744	1.3
269.08130	1.3
269.11984	1.8
270.09027	21.7
281.04636	9.9
281.07605	1.3
282.08981	8.1
285.11368	20.6
295.09695	2.1
297.07849	1.7
298.08542	15.4
310.08496	9.9
311.09378	8.8
311.18512	2.0
313.10919	11.4
323.09207	6.3
324.10025	5.4
325.10806	14.5
326.07986	20.0
326.11749	4.5
340.13211	3.0
341.10361	100.0
355.12134	1.9
356.12692	46.5
371.15057	70.5
372.15308	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	371.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
57.03463	0.5
59.01384	100.0
71.01383	2.9
71.91613	0.2
73.02956	1.3
75.00879	0.2
83.01387	0.3
84.06815	0.3
85.02963	1.6
92.02457	0.3
92.10755	0.3
99.00904	0.6
101.02433	2.6
113.02464	1.1
159.03133	0.3
161.04594	2.2
165.87019	0.2
242.76675	0.3
267.97867	0.4
311.15067	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	369.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75567	0.4
57.03449	0.6
59.01385	100.0
60.74762	0.4
61.98836	0.6
71.05009	0.5
72.86826	0.5
73.97797	0.5
74.84654	0.5
79.56813	0.5
81.03430	0.6
83.01416	0.9
83.05043	0.9
95.05014	0.5
96.96006	2.2
101.02401	0.6
111.04548	0.8
111.52520	0.5
123.08147	0.5
125.06080	0.7
176.97060	0.5
247.06160	1.1
251.16528	1.2
302.90546	0.5
309.09961	0.6
309.16983	0.6
320.91840	0.6
351.13895	0.7
369.11722	0.5
369.22586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2438
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
84.22913	0.8
93.71432	1.0
104.02656	0.9
110.47101	1.0
124.30157	1.0
133.10208	3.7
163.11295	100.0
179.10779	20.1
193.12357	19.5
244.83087	1.0
337.21863	11.9
369.24402	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.03452	0.5
193.12340	2.4
193.98697	0.5
237.06873	0.6
239.39264	0.5
246.54684	0.5
253.71451	0.5
305.28476	0.9
307.30109	81.6
308.30420	0.8
325.31317	2.2
351.29092	22.3
369.30139	100.0
370.30423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02457	0.3
54.38115	0.5
57.03456	0.6
58.00612	0.5
58.25649	0.3
59.01386	8.8
61.01012	3.4
71.01387	5.1
71.05037	1.1
72.99319	8.6
73.02956	3.3
75.00878	31.8
78.95899	0.8
81.03474	2.5
83.05076	0.6
85.02962	14.8
85.97946	0.4
87.00878	10.2
89.02477	2.5
90.62434	0.4
93.03464	5.1
96.96022	2.2
96.96991	0.6
99.00887	3.7
99.04513	1.0
101.02473	1.9
104.17142	0.4
105.01950	2.3
109.02969	0.7
111.04539	1.1
125.02474	0.5
127.04024	3.0
133.01445	0.7
143.03502	8.3
161.04520	4.8
165.04033	7.6
171.02959	0.6
173.04614	0.8
179.05623	67.5
191.05637	100.0
192.05930	0.4
295.85709	0.5
296.49823	0.5
306.84628	0.5
309.21039	0.4
371.11700	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	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.51220	1.0
57.03445	1.3
59.01373	6.2
60.33615	0.9
61.00769	1.2
61.01032	23.1
71.01392	15.7
72.99318	33.0
73.02953	12.7
81.03462	1.0
85.02963	8.0
87.00890	55.1
91.00359	1.1
93.03458	1.0
96.96017	27.1
101.02421	1.6
113.02443	2.0
119.46461	0.9
121.02934	1.4
123.04523	1.4
131.03470	1.4
134.03676	1.6
135.04518	4.0
136.01672	28.8
146.03723	1.4
147.04500	1.4
148.05273	1.0
149.05960	1.7
151.04024	22.9
161.06133	1.2
162.03177	5.9
163.03955	1.2
165.05479	1.4
173.04510	4.3
173.09541	1.0
174.03191	1.0
175.03947	1.1
175.11266	1.0
177.05431	1.3
179.07106	4.0
185.09633	1.1
191.05684	8.9
191.10806	1.9
204.04156	2.0
216.04083	1.0
219.06557	2.4
228.04340	1.2
231.69191	0.9
235.11559	1.5
253.12465	1.6
265.10559	1.4
299.83350	1.0
309.11282	4.1
327.12717	10.5
335.13544	1.5
353.10239	1.2
371.10336	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	371.0983
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
50.15364	0.5
57.03455	0.9
59.01382	24.4
61.98833	0.8
66.32431	0.6
68.83883	0.7
71.01386	8.5
72.99297	1.7
85.02953	1.6
87.93961	0.7
89.02461	6.5
89.02924	0.8
92.10760	1.4
95.01390	0.7
97.18991	0.7
101.02457	3.0
102.85316	0.7
107.26845	0.7
113.02442	0.8
119.02720	0.8
119.03503	1.4
119.05009	1.7
125.02409	2.7
147.04527	59.1
163.04022	1.1
182.74591	0.8
191.03516	100.0
193.05061	1.2
204.63972	0.8
209.04532	8.0
251.05592	1.1
371.09842	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	371.112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.4
58.00616	1.1
59.01385	64.3
61.01026	5.9
61.98833	3.0
66.83376	0.7
71.01377	26.8
72.69053	0.7
72.99306	10.1
73.02937	1.6
75.00912	1.1
78.95954	0.9
83.01405	1.5
85.02956	7.9
87.00883	7.8
88.98795	0.7
89.02443	41.9
89.03001	1.4
91.28858	0.7
95.41570	0.7
96.96001	16.6
96.96575	0.8
99.00871	1.4
101.02448	21.1
113.02454	12.8
119.03493	15.5
121.43613	0.8
123.04543	1.2
130.43057	0.8
131.03474	1.1
136.01694	1.1
137.06082	9.4
146.03770	1.9
148.05331	4.8
149.04578	1.9
149.06071	3.1
151.03996	1.1
155.07169	3.1
161.02415	1.0
161.06122	1.2
162.03365	0.9
164.04855	3.1
165.05595	1.0
173.04579	4.1
173.08229	1.7
175.03954	1.1
177.05537	0.9
179.05684	1.3
184.96770	0.8
191.05595	0.8
191.10739	1.0
235.06126	6.2
247.06126	4.7
261.34476	0.8
265.07291	6.0
265.09799	0.7
325.09308	1.8
327.12497	3.7
335.13544	100.0
341.14771	0.9
351.91309	0.8
371.11298	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	371.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02268	0.1
51.75745	0.1
59.01387	1.9
66.95538	0.1
67.01888	0.3
69.03475	0.1
71.01386	1.0
72.99290	0.1
73.02954	0.6
80.23794	0.1
81.03446	0.5
83.05038	0.2
85.02953	11.2
87.00878	2.1
93.03456	3.6
93.04011	0.2
99.04528	0.3
109.02961	0.8
111.04524	1.6
125.02393	0.1
127.04015	3.0
137.02426	0.2
171.03000	1.1
173.04587	1.2
184.85365	0.2
191.05638	100.0
192.06029	1.0
228.89809	0.1
338.86411	0.1
340.80771	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1194
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
57.61790	1.0
59.01389	7.5
62.84230	1.0
71.01384	1.9
75.00385	1.2
81.89863	1.1
83.01406	1.6
85.09190	1.2
87.00895	12.8
87.04527	8.3
89.01342	1.1
92.55438	1.2
96.96009	1.9
107.36454	1.3
113.99599	15.1
115.00370	6.5
115.04057	1.4
126.66769	1.2
174.01707	66.6
175.02524	1.7
186.64679	1.3
253.10959	2.3
309.09760	13.0
369.11945	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	369.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	6.5
59.01386	100.0
78.15109	5.2
98.43955	4.8
99.00918	11.2
101.02429	7.1
107.60138	5.1
144.81473	5.0
147.30907	5.5
348.37885	6.4
358.81430	7.0
364.24750	5.5
394.35730	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	369.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56090	2.7
59.01388	100.0
59.81778	3.2
61.98831	4.6
71.01393	13.1
73.41633	3.0
82.95429	4.0
96.96044	4.7
183.10297	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	369.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75567	0.4
57.03449	0.6
59.01385	100.0
60.74762	0.4
61.98836	0.6
71.05009	0.5
72.86826	0.5
73.97797	0.5
74.84654	0.5
79.56813	0.5
81.03430	0.6
83.01416	0.9
83.05043	0.9
95.05014	0.5
96.96006	2.2
101.02401	0.6
111.04548	0.8
111.52520	0.5
123.08147	0.5
125.06080	0.7
176.97060	0.5
247.06160	1.1
251.16528	1.2
302.90546	0.5
309.09961	0.6
309.16983	0.6
320.91840	0.6
351.13895	0.7
369.11722	0.5
369.22586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03463	0.8
59.01386	10.4
59.01686	0.4
60.99324	0.5
61.01026	5.0
61.98835	14.7
67.54416	0.3
71.01372	4.8
71.79027	0.4
72.99331	2.2
73.02960	0.9
81.03456	0.3
83.05042	0.6
85.02953	14.3
87.00887	3.5
88.98811	3.0
89.02431	2.5
93.03456	2.9
96.96010	4.1
101.02451	3.5
109.02953	1.5
111.04532	1.7
113.02447	1.4
115.07677	1.7
119.03531	0.4
120.99619	0.6
125.02427	0.4
127.04027	3.2
132.25385	0.4
137.02467	0.4
143.03552	0.4
145.04944	0.4
146.02512	0.6
147.06645	0.4
149.02477	0.7
149.06348	0.4
157.10265	0.8
161.04576	1.6
163.07732	0.4
171.03084	0.6
173.04613	1.5
173.09637	0.5
175.11304	0.5
177.01958	2.7
191.05646	100.0
192.05896	0.5
201.09189	0.3
219.10390	0.6
280.67181	0.4
281.10382	0.5
309.12256	0.6
309.15512	3.6
325.11014	1.9
369.10037	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	369.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83268	0.3
59.01383	100.0
71.01386	1.9
72.99300	0.4
79.40311	0.3
85.02954	1.4
88.65073	0.3
89.02452	0.8
96.96018	0.4
101.02435	0.7
113.02457	2.8
115.05607	0.4
119.03499	0.5
131.05060	0.3
133.06609	0.4
147.04532	66.3
148.04861	0.5
161.04645	0.7
161.06085	3.0
167.13560	0.3
189.05530	2.3
199.56186	0.3
257.39545	0.4
327.40765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39702	1.1
52.71923	1.1
57.03453	3.0
59.01379	7.9
60.99301	2.1
61.98832	5.6
67.01887	12.4
69.03455	1.6
71.01379	6.5
81.03448	1.2
83.05023	2.8
85.02942	14.1
87.00862	15.9
92.27326	1.2
93.03439	84.6
95.04986	2.6
96.96005	2.6
105.03465	10.5
107.05012	5.2
109.02930	3.0
111.04524	11.9
123.04509	2.6
125.02448	6.6
127.03957	1.6
133.02939	100.0
135.04488	5.9
137.02316	1.2
150.03253	2.0
151.00430	1.9
151.04004	2.3
155.03572	1.5
157.49051	1.1
173.04535	51.0
177.01974	11.4
191.05605	98.5
195.03001	12.6
215.05592	7.4
221.89966	1.4
224.04987	1.3
264.07846	1.3
279.29425	1.3
285.04086	1.5
336.76944	1.6
351.07162	13.6
369.08463	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	368.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
60.01401	0.4
60.01705	0.3
61.01030	1.0
61.98840	100.0
62.31846	0.2
71.01395	0.9
85.02990	0.5
87.00876	0.3
89.02463	0.3
96.96020	2.6
113.02448	0.2
116.07984	0.4
121.32839	0.2
125.02469	0.6
146.02483	1.0
160.08414	0.4
161.04352	0.3
174.05502	0.3
188.79846	0.3
191.05630	0.5
221.98389	0.3
225.21555	0.3
287.26599	0.3
305.06708	1.0
368.09393	4.7
369.09839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28347	1.6
54.83352	2.0
54.83594	1.5
57.19748	1.7
58.74707	1.6
59.01388	7.1
60.99319	3.1
61.98851	2.5
67.01897	13.1
69.03483	2.2
70.65526	1.6
71.01390	3.3
71.05029	12.0
80.01908	1.7
81.03490	3.2
83.05029	6.9
85.02975	11.4
87.00874	18.2
93.03457	86.6
95.05020	1.9
96.96015	10.9
97.14479	1.8
97.53240	1.8
99.00930	2.0
99.04494	2.7
105.03460	15.0
107.05053	3.2
110.86166	1.8
111.04520	12.8
113.02474	1.5
123.04549	3.4
125.02448	3.2
125.06075	2.8
127.03980	2.7
133.02959	100.0
135.04532	2.6
137.65645	1.6
142.96535	1.8
143.07159	44.5
147.81691	2.0
151.04002	3.8
155.03491	2.6
165.64391	1.7
173.04573	58.7
177.01923	12.7
191.05644	91.2
195.03035	15.9
197.94684	2.0
215.05621	9.3
232.17033	2.4
322.09314	1.8
328.70468	1.6
351.07141	13.8
363.38260	2.4
365.65375	2.3
369.08466	8.6
374.08231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.79036	0.4
71.01382	5.0
73.02927	0.5
74.87361	0.4
83.01385	1.0
85.02945	2.8
87.00874	0.5
89.02454	2.2
92.10128	0.8
99.08131	0.6
101.02419	4.1
113.02446	2.1
127.06088	0.5
135.04521	2.7
145.08679	2.7
161.04514	2.4
307.17651	13.7
348.26563	0.4
357.51257	0.4
387.71759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2493
Annotation	Carboprost
Peak:m/z	Relative Intensity
58.00603	1.0
59.01386	28.3
60.28134	1.2
85.02966	1.1
99.33791	1.1
102.07242	1.1
111.08179	10.0
125.09719	4.4
137.09720	23.2
139.11324	1.6
151.11313	14.3
153.12862	100.0
154.13301	1.8
167.10776	2.4
169.12337	4.4
171.13959	6.7
175.18233	1.2
197.11807	8.2
215.12912	32.5
295.61371	1.2
365.00134	1.2
367.24948	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57766	0.2
57.03456	0.3
57.56039	0.2
59.01384	2.2
61.98830	100.0
68.83722	0.2
71.01372	0.5
85.02944	0.5
87.00880	2.0
89.02431	0.5
92.05042	0.5
96.96029	0.5
101.02483	0.4
109.02914	0.6
115.07608	1.0
118.03017	0.7
123.04525	0.3
124.01569	0.4
125.02455	4.1
130.06631	0.4
137.02467	1.2
139.03972	1.1
144.04591	1.1
146.02489	3.8
148.04033	1.7
156.04568	0.4
165.01955	0.6
167.03467	0.5
174.05536	1.4
179.03525	1.1
187.36234	0.3
191.05586	2.0
206.04372	0.3
300.57840	0.3
305.06757	4.2
367.08572	0.4
368.09622	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	367.1536
Annotation	1,2-dihexanoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.45164	10.7
54.82665	12.2
57.63692	14.2
59.01395	22.8
61.98845	27.4
63.08342	11.4
68.88871	11.8
69.34048	12.4
78.95943	16.7
92.65702	15.6
96.96001	100.0
96.96966	30.2
134.87061	13.4
141.01384	25.8
154.66191	14.7
160.49756	17.2
328.40768	14.7
367.14716	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76900	5.9
56.87686	6.9
59.01391	41.4
63.07977	7.4
69.55672	7.0
74.99080	10.2
78.95918	44.9
80.91669	16.7
85.23972	7.7
89.02487	8.9
96.96004	100.0
96.96966	49.7
112.37364	8.2
120.99660	13.0
123.26868	8.4
153.56262	8.4
324.98697	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	367.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.8
57.03464	6.5
59.01385	100.0
61.98839	34.9
64.56269	4.1
65.90058	3.7
67.25815	3.3
71.01385	69.0
72.99316	6.4
73.02962	30.2
75.00884	5.4
76.83942	4.8
78.95911	5.7
80.11144	4.1
83.01401	9.8
85.02959	42.1
85.88029	4.4
89.02457	17.7
95.32404	3.8
96.96004	49.0
99.00908	6.1
101.02452	55.3
107.05082	7.3
113.02449	20.6
119.03484	6.3
126.95104	3.9
130.02811	4.3
130.06624	18.6
131.03513	7.0
145.08739	32.4
149.06075	4.2
155.57715	5.7
161.04556	9.2
167.07159	96.1
168.07404	4.2
235.11913	83.7
239.11263	4.7
326.44696	5.6
367.15909	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.1
58.02981	0.3
59.01384	2.4
59.03305	0.2
61.98834	100.0
62.39268	0.1
71.54077	0.2
87.00919	0.2
88.40102	0.2
95.58582	0.2
101.06075	0.2
113.02480	0.2
119.45589	0.1
121.48234	0.1
125.09699	0.4
131.93596	0.2
168.13884	0.3
169.14256	0.4
251.74614	0.2
293.11899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92574	10.9
59.01379	100.0
61.98859	25.9
76.58366	10.7
79.95744	10.1
80.15094	10.9
85.02987	12.3
93.01170	12.5
93.02258	10.7
96.96027	75.8
97.06407	10.7
97.88475	12.3
109.04815	12.2
116.78024	11.1
120.39710	10.4
120.99673	18.8
179.52946	11.7
181.67307	12.1
367.14755	66.0
377.11807	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	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35811	3.6
59.01379	100.0
61.56671	4.2
61.98823	45.2
62.60021	4.0
65.18383	4.2
67.32713	4.6
71.01362	6.0
78.91864	6.0
89.92287	4.6
96.95997	41.6
120.42987	4.7
152.56908	4.9
252.38951	5.3
322.22015	4.9
337.79092	4.9
386.14459	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40104	5.3
54.15191	4.6
59.01386	100.0
61.98833	80.5
64.34945	5.0
78.15513	4.8
81.51541	5.4
91.50571	5.0
92.10117	5.5
96.96015	7.8
99.95090	5.6
100.28027	5.3
100.92703	5.9
101.02409	8.3
101.12354	5.3
108.36456	5.7
115.83013	5.9
115.96621	6.2
183.42245	5.9
293.61084	5.8
307.17645	9.6
321.83676	6.3
367.14972	40.3
367.19064	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	367.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03613	5.3
59.01385	9.2
61.61121	6.0
61.98835	100.0
85.98538	7.6
96.96020	16.5
98.10975	7.1
103.26580	7.3
105.35619	5.9
129.44319	6.9
138.24681	6.0
205.12292	13.6
367.14612	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	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14891	0.4
51.56571	0.5
59.01386	100.0
61.98842	2.2
69.03458	9.3
69.03742	0.5
71.01389	5.3
75.00896	0.9
79.98052	0.5
85.02950	3.9
89.02460	2.2
96.96030	1.0
97.02989	0.8
99.00848	0.8
101.02473	1.4
113.02460	74.4
119.03613	0.7
127.04037	4.8
136.08334	0.5
145.05086	38.5
145.06244	1.3
161.04559	1.1
164.16147	0.6
170.88243	0.7
185.04596	1.0
241.88533	0.6
307.10419	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	367.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01384	100.0
67.20675	3.4
69.03474	5.2
70.95743	3.9
71.01397	3.2
74.20470	3.1
76.75592	3.4
78.95898	8.0
82.95433	4.4
85.02960	4.5
92.10876	6.4
96.96014	37.8
96.96961	21.2
99.00876	4.3
109.06585	4.7
111.08184	4.7
121.02962	4.4
139.07664	5.6
141.09256	4.8
211.44020	4.3
241.99695	4.3
254.06508	4.2
307.08536	5.1
367.21350	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	367.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63170	2.5
59.01386	41.1
61.98840	2.5
71.37231	2.3
72.77876	2.5
74.07822	2.2
83.72842	2.5
111.08150	3.1
125.09798	8.2
137.09720	5.2
139.11342	3.4
151.11295	12.2
153.12865	75.8
169.12375	3.4
197.11884	39.3
203.51221	2.5
215.12917	100.0
276.35184	2.5
367.24878	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
59.20267	0.4
65.00327	0.6
74.96943	0.4
80.91679	0.5
83.01406	0.5
92.10132	0.8
92.66862	0.4
111.66644	0.4
133.03015	0.6
148.05324	100.0
149.05754	0.5
151.00400	2.3
163.07671	46.2
183.10393	0.7
255.02937	0.5
271.02573	3.4
284.03378	2.1
285.04059	0.5
293.43042	0.5
295.15091	0.5
299.01990	2.4
300.02612	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76949	0.6
54.89797	0.7
55.01881	1.9
57.03461	3.5
58.00604	0.8
59.01386	100.0
71.01385	39.4
71.05032	4.3
72.99323	1.5
73.02948	10.8
78.19007	0.8
78.52926	0.7
83.01403	4.5
83.05089	1.0
85.02953	13.9
86.00060	0.8
87.00871	5.3
87.04489	3.6
88.04024	0.9
89.02442	28.5
92.11707	0.8
95.01389	4.0
96.96017	6.1
99.00898	6.6
99.04517	17.5
101.02445	28.8
112.98820	1.4
113.02464	18.3
115.04001	1.3
117.01945	1.3
117.05568	1.7
119.03507	6.7
127.03951	1.2
128.61775	0.8
131.03505	2.0
139.04080	0.9
141.23032	0.7
143.03545	6.0
144.04579	1.8
145.05077	2.0
147.04900	1.0
159.02945	1.5
159.06558	1.0
161.04561	36.2
163.06128	1.1
173.04648	1.0
174.06819	1.3
174.25418	0.8
175.06053	3.7
178.93544	0.8
179.05598	3.9
193.07207	1.1
249.09818	11.2
261.09778	11.5
284.53723	0.8
307.10434	44.0
308.10861	0.9
356.76636	1.0
367.08517	4.6
368.10379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58844	0.5
55.92194	0.6
57.13748	0.6
59.01386	100.0
61.98831	0.8
69.03461	10.5
71.01395	5.8
71.64632	0.5
75.00913	0.8
76.91078	0.5
85.02962	4.6
89.02443	1.5
92.10876	0.6
101.02450	2.5
101.42321	0.6
113.02455	78.7
113.34349	0.6
119.03482	1.1
127.04008	5.3
145.05078	40.2
161.04541	1.3
191.67183	0.6
307.10431	0.7
312.06149	0.7
387.54016	0.8
391.82083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37826	0.4
53.39974	0.5
57.03442	2.6
59.01369	0.6
61.98824	100.0
63.05825	0.4
63.78677	0.4
83.01372	1.9
92.66014	0.4
96.96014	0.7
107.01357	1.7
109.02980	0.6
123.04514	0.7
125.02426	21.0
130.64987	0.4
131.05002	0.5
149.02385	0.5
150.03102	0.5
151.00342	3.1
151.03972	0.9
152.01160	1.7
153.01967	4.3
175.03996	4.9
177.01898	4.7
178.99834	2.7
189.05550	0.8
192.34734	0.4
199.03960	1.0
217.05089	2.2
241.05072	1.1
259.06244	0.6
275.05618	0.6
285.04047	14.9
303.05090	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	366.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68462	0.3
61.98832	100.0
76.57790	0.3
96.96014	1.5
149.16574	0.3
192.85971	0.4
360.09680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83081	0.8
55.51137	0.5
59.01390	3.1
61.41910	0.5
91.05514	0.7
102.03521	0.7
104.05094	0.9
120.04537	0.8
132.04568	2.8
140.86403	0.7
146.06111	4.5
148.06499	1.4
148.07700	55.5
366.24423	100.0
367.24731	1.3
367.97913	0.7
372.37292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1952
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
59.01383	23.2
59.01653	1.5
59.21314	1.1
66.39259	1.0
93.03422	1.5
94.45428	1.2
95.05084	1.5
106.60804	1.0
111.00907	2.1
117.11385	1.3
137.09723	65.9
179.51601	1.3
204.12154	1.4
204.82225	1.4
205.16077	2.9
207.17596	19.2
227.32014	1.3
240.15865	1.8
251.16583	7.7
283.19177	100.0
346.88892	1.6
365.19516	43.3
365.23480	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	365.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89552	0.2
52.27345	0.2
59.01391	2.3
59.02207	0.2
67.01904	9.5
78.91891	0.3
80.52767	0.2
83.05042	0.2
85.02953	0.8
89.81179	0.2
90.36107	0.2
91.30904	0.2
111.00890	100.0
191.14482	0.4
196.59610	0.2
201.02588	1.1
217.16016	1.5
238.18706	0.3
298.42474	0.3
365.23593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2701
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.35629	0.7
59.01385	100.0
62.33113	0.7
75.21286	0.8
82.41408	0.8
114.39216	0.9
118.80968	0.7
189.50755	1.0
219.84933	0.8
283.26480	3.4
300.27661	0.9
359.98798	0.8
365.26776	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98820	0.6
69.44684	0.4
71.01371	5.8
73.02930	1.1
83.01397	1.9
85.02941	3.0
89.02435	3.3
89.82232	0.5
95.01347	0.6
95.51470	0.6
97.83668	0.4
101.02415	5.1
113.02443	3.5
119.03512	0.7
152.23096	0.6
161.04556	4.7
305.16046	14.5
365.18149	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	365.1947
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
50.85963	1.2
57.03485	3.0
59.01390	100.0
61.98840	1.8
66.16216	1.6
69.03470	3.5
69.31591	1.5
80.24689	1.5
100.07623	1.5
113.02445	2.7
113.06103	1.7
137.09717	78.5
155.52609	1.7
169.12370	1.9
201.02672	2.7
205.16013	6.7
207.17540	24.8
245.19144	3.0
251.16495	13.2
283.19144	96.9
283.26346	1.9
287.20120	3.5
351.69830	1.8
365.19498	64.3
365.23312	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01387	15.1
61.98831	4.6
63.69974	0.2
63.99269	0.4
71.01385	1.0
72.99341	0.3
73.02961	1.9
77.55182	0.2
79.13194	0.3
81.03469	3.6
83.01402	1.9
85.02963	0.5
87.74278	0.2
89.02459	1.0
95.05023	0.6
97.06600	3.9
99.04536	0.4
101.02468	0.4
107.01396	0.5
109.02948	0.3
109.82747	0.2
113.02479	0.5
119.03487	0.4
120.55156	0.2
123.04530	28.0
123.08167	0.5
124.04794	0.3
125.02455	5.6
134.52228	0.2
137.02486	0.6
139.07654	4.7
141.09233	19.4
143.07159	0.5
149.02377	0.4
151.00375	1.3
157.07413	0.4
157.08701	10.6
157.09935	0.5
163.04163	0.3
167.03510	100.0
168.03899	1.0
185.08214	6.1
203.09285	42.2
209.04567	0.6
239.03218	0.2
245.10283	1.5
305.18878	1.0
329.08826	11.5
365.14655	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03464	0.7
59.01384	47.5
61.98846	5.1
71.01375	16.6
72.99313	0.9
73.02929	1.1
78.34416	0.6
78.74602	0.7
82.95083	0.6
83.01344	2.3
85.02958	4.5
87.00887	1.3
89.02444	19.4
94.62351	0.6
95.01418	1.0
97.06494	0.7
101.02440	12.5
113.02451	6.6
119.03487	5.9
127.11287	5.7
155.10791	4.2
157.12325	23.4
171.13844	1.0
175.12636	0.8
176.82405	0.8
185.11827	1.4
187.13330	0.8
199.13350	1.2
203.12909	57.4
214.06422	1.3
229.08713	3.3
245.13910	1.1
289.10803	1.2
303.12469	1.2
321.13480	1.2
365.18192	100.0
366.18692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12027	0.8
57.03446	0.8
59.01382	45.3
63.22812	0.8
64.18945	0.9
71.01382	10.3
80.53131	0.9
85.02948	2.1
89.02435	9.1
91.10193	1.1
97.06564	1.1
109.06611	9.6
111.08157	1.9
125.09721	15.0
127.07610	9.1
133.02988	4.7
153.09239	5.7
155.07112	1.0
167.07169	1.2
171.10292	41.0
171.11716	1.3
173.08179	60.8
177.01961	1.4
197.08168	1.5
215.09273	12.9
233.10312	30.7
275.11371	1.8
303.14545	1.1
305.12524	13.2
329.12350	1.8
339.71796	1.2
347.13501	4.9
365.14554	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	365.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78875	0.3
55.18795	0.3
56.14463	0.3
57.03438	0.8
59.01375	100.0
61.98834	0.9
78.83823	0.4
79.05541	0.4
92.10212	0.6
92.55724	0.4
95.05021	0.8
97.02938	0.6
107.05008	2.1
109.02953	0.8
109.06573	0.9
111.04509	1.6
121.06564	1.8
122.03711	1.6
123.04482	0.6
123.08128	0.7
124.05276	4.8
133.06583	12.5
134.50871	0.4
135.04436	0.4
135.08162	0.5
137.06059	2.1
139.07629	26.4
149.06064	2.1
149.24185	0.3
151.07588	0.8
157.10191	0.6
157.52597	0.4
159.04451	0.4
163.07642	0.7
169.08690	5.0
171.08130	0.9
181.08678	7.5
187.11273	2.6
199.11374	0.4
202.09998	0.6
205.12334	3.5
210.09007	5.0
211.09776	4.3
213.89030	0.4
217.12271	1.8
231.10196	0.6
235.13434	1.7
321.13541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.41843	0.5
71.01389	9.1
85.02971	1.4
89.02452	12.5
93.01901	0.5
95.01421	1.4
97.75616	0.6
99.70952	0.6
101.02457	5.0
104.02655	0.6
108.02193	6.0
113.02459	4.5
119.03504	4.9
123.04539	4.1
125.20162	0.7
141.05559	0.6
143.07137	6.1
152.01196	7.3
160.04050	1.3
161.04517	1.0
163.87961	0.9
167.03481	11.9
179.05589	4.2
183.66182	0.7
191.61131	0.6
240.69412	0.7
294.94165	0.6
319.73819	0.7
321.23514	0.6
329.09055	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	365.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	2.0
57.03449	7.8
59.01383	11.1
62.33189	0.8
67.01917	1.2
68.99821	1.8
71.01383	37.8
71.01775	1.3
73.02954	9.6
80.91377	0.9
81.03468	1.2
83.01401	9.4
83.05067	1.7
84.99326	0.9
85.02972	6.1
87.00903	5.9
93.03463	16.3
99.00888	39.8
99.04565	1.2
111.00892	21.7
111.04556	4.7
112.98820	100.0
115.00381	4.8
122.16778	0.9
124.98807	3.6
129.01942	7.4
137.02444	2.1
142.99875	44.5
155.03563	3.9
173.00923	41.9
173.04552	13.4
191.01955	1.1
191.05608	3.7
201.14583	0.8
221.10603	0.9
237.88309	1.0
319.14255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56979	0.3
55.01878	0.6
57.03462	2.8
59.01389	4.6
60.99310	0.5
67.01894	0.5
68.99820	0.4
69.03439	2.6
71.01384	15.0
72.99319	0.6
73.02946	4.3
81.03450	0.4
83.01379	3.6
83.05042	1.4
85.02956	15.3
87.00870	5.4
90.68050	0.4
91.51151	0.3
93.03460	10.1
99.00880	14.6
99.04516	1.5
106.95026	0.3
109.02967	1.5
111.00885	7.3
111.04536	3.0
112.98820	34.5
114.13551	0.4
115.00375	1.3
124.98841	0.6
127.04017	3.4
129.01953	2.8
137.02481	2.5
142.99870	15.2
145.01411	0.4
149.94957	0.3
169.21994	0.3
171.03035	0.4
173.00919	13.7
173.04556	7.9
181.16917	0.4
191.05640	100.0
192.05933	0.5
198.68547	0.3
211.76913	0.4
217.05272	0.8
365.09033	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	364.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.0
61.98838	100.0
71.59161	0.5
72.78851	0.5
77.34248	0.4
121.02937	0.9
132.30855	0.5
144.79457	0.5
151.00342	1.8
180.85869	0.5
191.65030	0.5
301.03494	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	364.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98832	100.0
66.92559	0.2
83.05038	0.8
88.70400	0.2
151.00264	0.3
265.52863	0.2
301.03543	0.7
340.28076	0.2
342.83762	0.3
351.92560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31936	0.2
50.32932	0.2
56.08757	0.2
59.01380	2.5
60.01731	0.2
61.01801	0.3
61.48891	0.2
61.98840	100.0
92.10709	0.4
99.32836	0.2
129.58040	0.3
136.39336	0.3
152.62816	0.2
153.14273	0.2
154.26648	0.2
257.39636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45637	0.3
59.01387	39.5
60.01722	5.1
61.01816	2.4
61.98835	100.0
68.66756	0.3
68.94697	0.3
75.36873	0.3
82.04414	0.4
92.10797	0.8
95.29592	0.3
95.40601	0.3
99.71215	0.3
136.99007	0.4
153.49426	0.3
163.06055	0.7
217.07188	0.5
218.07266	2.2
219.06929	9.2
220.07086	8.6
237.80067	0.4
244.14078	0.4
257.99850	0.4
287.13370	2.4
288.13541	5.6
302.17096	3.0
302.19958	0.4
303.16556	8.6
304.16672	30.8
338.43405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81895	0.4
56.75878	0.4
59.01384	4.8
60.01728	0.7
61.01805	0.6
61.13837	0.4
61.98833	100.0
63.02402	2.9
65.00323	6.7
65.65795	0.4
69.75685	0.4
72.70042	0.4
76.58811	0.5
83.01385	3.8
83.05015	0.9
86.84478	0.4
89.78945	0.4
90.35995	0.4
92.10774	1.5
93.03453	1.8
107.01389	14.5
109.02963	0.6
121.02951	13.2
125.02383	0.7
139.03952	0.6
144.75717	0.5
145.77435	0.4
149.02400	1.8
151.00381	42.7
159.04510	0.5
169.01456	2.1
178.99863	15.5
193.01469	0.8
201.05557	0.6
227.03418	0.5
229.05136	1.0
245.04620	0.7
273.04105	2.1
300.02737	0.6
301.03583	77.5
353.14810	0.5
367.42526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41387	1.1
59.01385	34.7
59.01652	1.8
61.98832	43.6
71.01385	16.0
73.02941	1.7
78.95932	5.2
79.95747	1.2
81.11278	1.1
84.00925	5.1
89.02468	1.4
95.05042	8.2
96.96010	96.7
96.96989	8.1
97.95975	2.1
98.95612	27.7
98.96445	6.0
101.02455	2.2
112.04047	43.6
112.04762	2.1
113.02483	5.2
122.06136	2.3
124.04031	13.0
125.02422	4.0
126.05607	18.1
140.07182	8.7
141.05591	7.5
149.39626	1.4
154.05107	32.6
154.08693	1.4
157.18129	1.4
164.07216	1.8
164.58528	1.1
166.05103	100.0
167.03421	1.5
167.05449	1.5
182.08226	55.2
182.09760	2.0
183.51407	1.1
184.06183	11.1
185.04517	4.8
185.26085	1.3
190.04097	1.4
204.39545	1.2
208.06209	1.8
226.07266	23.1
244.08275	1.6
271.47104	1.3
328.10333	1.4
346.11490	49.3
364.08636	1.6
364.12802	2.5
365.09247	1.3
387.31433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39241	1.4
55.01852	1.5
57.03445	36.0
59.01375	100.0
61.98828	12.3
69.03452	9.2
71.01382	3.4
71.05000	3.1
73.02927	13.9
75.00864	6.8
81.03455	2.9
83.05011	30.1
85.02938	3.2
87.04507	2.1
93.03443	3.5
94.04224	2.4
95.04996	7.2
96.96004	3.6
97.06590	9.0
99.04505	10.1
101.06067	1.9
102.16867	1.7
104.20953	1.6
107.05028	16.7
109.06584	64.0
111.04507	10.3
113.06081	2.3
116.96009	1.4
121.06579	17.4
123.04501	3.1
125.06087	1.9
127.07659	11.2
135.08144	3.8
139.07637	2.3
153.09142	3.0
156.50003	1.5
159.94646	1.6
161.09644	2.2
164.08405	15.2
179.10759	23.4
185.11900	2.7
227.60066	2.0
273.16907	2.6
285.16891	2.0
303.18121	49.3
317.55490	1.7
363.10953	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	363.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98834	2.0
63.43476	0.4
64.26193	0.4
64.34985	0.4
71.01385	2.3
81.99539	0.5
83.05022	0.6
92.10719	0.6
103.99518	0.5
114.76312	0.6
121.59375	0.4
143.72990	0.5
251.57103	0.5
363.21881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03455	3.3
58.00611	1.1
59.01384	100.0
61.98843	3.7
64.35076	0.6
67.85100	0.5
69.03467	0.8
69.79124	0.6
71.01382	23.4
71.05028	0.8
72.99326	0.8
73.02948	7.9
82.02990	1.6
83.01410	1.4
83.05070	1.2
85.02950	7.1
87.04481	2.1
89.02439	23.9
92.10825	1.0
95.01408	0.9
95.05038	1.2
97.06592	1.6
99.04531	3.7
101.02438	14.9
101.06100	0.7
107.71913	0.6
109.06590	1.2
113.02439	8.7
113.06113	0.9
119.03502	9.4
121.06580	1.2
126.87385	0.7
127.07719	0.9
136.04048	1.5
139.07668	0.9
145.02934	5.2
147.04605	1.0
160.62390	0.7
161.04578	0.8
164.03546	3.5
165.70633	0.7
169.08720	0.7
179.05609	3.1
183.10263	8.2
194.04523	0.9
196.06079	1.0
201.11340	1.5
272.14972	0.7
287.10370	5.8
303.18213	18.1
319.17621	0.7
325.09409	0.9
363.11969	3.9
363.16623	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44495	0.6
53.09721	0.7
55.01899	0.7
57.03455	5.8
57.38965	0.7
59.01387	100.0
61.98847	4.1
62.71045	0.7
68.83846	0.7
69.03471	3.2
69.73210	0.7
71.01379	11.2
71.05032	3.4
72.99334	0.8
73.02943	9.9
77.90597	0.7
81.03470	3.8
83.01383	1.1
83.05060	3.5
84.02174	1.1
85.02973	4.5
87.04533	6.9
89.02448	9.5
95.01418	0.7
95.04396	0.6
95.05000	0.8
96.96002	7.8
97.02981	1.4
97.06601	7.1
98.95605	5.3
98.96434	0.9
99.04525	20.0
101.02465	5.1
101.06109	3.3
109.06599	7.4
111.08202	1.4
113.02465	3.8
113.06102	3.2
115.07676	0.9
119.03518	2.8
121.06596	6.3
123.08159	1.9
125.06024	0.9
127.07665	8.6
136.01627	1.7
137.06133	1.1
137.09747	1.1
139.07683	5.7
151.04025	1.4
157.08751	4.3
169.08698	3.1
179.10741	1.3
183.10321	3.8
185.11865	1.4
185.32849	0.7
197.11848	1.1
201.11371	1.2
203.84785	0.7
215.12933	1.4
238.95871	0.7
285.17020	1.2
303.18188	94.5
304.18625	1.1
312.96890	0.9
327.10208	0.8
363.11102	11.7
363.16678	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	363.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22136	0.8
55.01896	1.4
56.90094	0.8
57.09236	0.8
59.01385	100.0
61.98835	40.2
64.56069	0.9
71.01385	15.5
71.05016	1.1
73.02934	2.3
79.95768	1.2
80.21642	0.9
82.95446	6.4
83.01397	1.4
83.14098	1.2
85.02974	7.5
87.00902	1.1
89.02455	8.4
95.01367	1.1
96.96007	15.6
96.96990	1.0
97.05968	2.0
97.06591	57.3
98.95609	4.2
99.00839	1.1
101.02457	8.9
111.04545	1.1
113.02486	6.0
114.40787	1.1
119.03488	1.9
123.04532	8.2
131.49823	0.9
141.01950	1.3
141.05591	30.2
161.04543	5.5
179.05507	1.4
183.06602	1.7
289.07904	1.0
303.10840	20.1
303.18158	6.9
308.77786	0.9
325.09259	4.5
327.10931	2.3
363.12598	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	363.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10920	1.0
54.52870	1.1
57.03461	7.6
58.00606	5.1
59.01386	100.0
59.50926	1.1
60.01733	1.9
69.03474	7.1
71.01385	27.3
71.05046	2.2
71.87325	1.3
72.99310	47.4
73.02972	6.4
75.00866	1.3
76.58009	1.3
81.03481	2.9
83.05065	1.6
85.02953	11.3
85.06612	1.7
86.21510	1.3
87.04507	11.1
89.02443	20.5
93.07082	1.4
95.01376	1.9
97.06596	11.1
99.04514	13.7
101.02446	9.5
101.06112	1.7
107.05045	2.5
109.02938	2.3
109.06599	23.3
111.04491	1.4
111.08160	2.1
113.02479	7.2
113.06039	1.4
117.05570	2.0
119.03522	6.5
121.06628	8.0
123.04541	2.2
123.08223	1.5
127.07661	11.5
131.07123	2.0
139.07672	55.0
140.07199	3.2
141.07524	6.6
157.08746	2.3
163.15350	1.3
164.08505	1.5
175.09831	16.0
179.05627	1.7
179.10916	9.5
183.06630	44.4
185.11847	7.9
197.11900	5.3
215.12932	3.2
269.21042	1.3
289.07162	5.9
303.18198	77.8
363.12836	10.4
363.16827	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	363.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08456	0.8
57.03444	7.6
59.01384	16.9
59.49290	0.8
59.97400	1.0
65.99869	2.1
67.34299	0.8
71.01383	1.9
73.02947	13.8
82.02985	42.3
83.01408	6.1
83.05029	2.4
87.04552	1.5
89.57381	0.9
94.02959	2.2
96.96005	5.2
97.06572	1.0
99.04543	1.8
109.06615	1.3
111.08158	1.0
111.19341	0.9
120.04504	1.6
121.01701	1.3
122.02505	2.0
122.06102	7.5
136.04051	41.9
136.07657	2.1
149.09676	1.4
151.11302	5.5
152.03574	2.3
160.07700	1.8
161.07173	1.4
163.11168	1.0
164.03540	57.5
176.07140	1.7
177.83334	1.0
178.08691	1.2
180.02992	1.6
182.04579	4.1
188.07167	1.2
194.04591	30.2
195.05373	6.7
196.06169	27.3
199.13445	5.4
202.08748	4.0
204.06746	1.6
217.06165	2.0
226.08705	1.0
227.08224	1.1
231.07770	4.8
233.13776	1.4
242.08296	1.3
244.09944	6.8
245.09267	4.3
258.06470	2.1
259.07391	1.6
259.10999	1.3
270.07678	5.6
271.07245	4.7
272.07938	1.4
287.10406	100.0
291.10037	1.7
303.18216	16.6
313.08270	2.3
319.13031	4.2
331.05368	1.3
331.09433	39.0
363.11963	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	363.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	4.1
59.01385	10.9
59.49466	0.4
61.98833	0.5
65.99846	3.3
71.01396	2.8
71.05033	0.8
73.02948	9.0
75.00809	0.4
75.84747	0.4
77.28516	0.4
78.03530	0.5
81.03459	0.9
81.07108	0.5
82.02984	44.8
83.01389	5.0
83.05022	1.0
85.02955	1.7
87.04557	0.6
92.05063	2.1
94.02979	6.1
96.96035	0.8
97.06608	0.5
99.00908	0.5
99.04522	1.1
105.02195	0.9
108.04549	1.0
110.02485	2.0
111.08169	3.8
118.02939	0.6
120.00977	1.0
120.04575	2.6
121.01710	1.1
122.02484	2.9
122.06125	6.2
123.08124	0.9
134.02533	0.5
135.03191	0.5
136.04047	46.2
136.07690	1.0
138.05653	1.0
150.03197	0.5
150.05670	0.8
151.11296	2.1
152.03560	2.4
155.40269	0.5
160.07730	2.8
161.04861	0.6
161.07234	2.2
162.02133	0.6
164.03549	64.8
165.05553	1.0
173.03534	0.7
174.05569	0.7
174.09210	0.6
176.07169	2.9
177.10336	0.9
178.08771	1.0
180.03032	2.0
181.12381	1.1
182.04654	4.4
186.05638	0.9
188.07198	1.8
189.06866	0.6
194.04616	27.3
195.05379	8.2
196.06180	27.7
199.13420	2.7
200.07178	0.8
202.08723	4.1
204.06725	1.8
215.05910	2.0
215.08078	0.7
216.06747	0.6
216.10333	0.9
217.06210	2.8
217.09850	1.0
219.11417	0.9
226.08832	0.9
227.08250	0.8
228.06689	1.8
229.06123	2.0
231.07771	2.9
242.08339	0.6
243.04071	1.0
243.07961	1.1
243.11423	1.1
244.09848	9.3
245.09398	4.5
255.05547	1.1
256.05048	0.5
257.05682	0.8
258.06476	3.2
259.07227	2.9
259.10901	2.4
269.09424	1.7
270.07779	7.2
271.07214	4.2
272.08032	0.8
287.10431	100.0
291.09961	2.4
299.48477	0.5
303.18149	5.5
313.08374	2.7
319.12994	2.7
331.09430	45.0
332.09396	0.6
363.11932	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	362.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
61.98833	100.0
71.01377	0.7
78.90733	0.3
80.58456	0.4
88.58747	0.4
89.02437	0.8
90.69514	0.4
92.10766	0.8
182.16559	0.3
198.92746	0.3
377.38156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28506	0.2
59.01385	2.3
59.50701	0.2
62.29320	0.2
63.87423	0.2
69.74594	0.2
71.01398	1.1
73.02930	0.3
78.95921	1.4
79.95741	1.4
83.01410	0.2
85.02971	0.9
89.02447	0.9
90.22887	0.2
92.10205	0.5
96.96014	100.0
101.02454	1.0
103.04012	1.3
111.00873	0.3
122.66766	0.2
123.04505	0.4
141.01971	1.2
152.49982	0.2
175.04289	0.2
213.71423	0.2
265.09311	5.0
303.18079	1.0
319.42969	0.3
363.07355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64175	0.6
59.01389	3.7
61.98838	1.0
63.02405	11.1
65.00332	10.2
66.15497	0.8
77.80982	0.8
83.01408	10.0
91.08941	0.7
95.01368	0.9
107.01403	22.9
109.02961	3.7
111.00902	1.0
116.68217	0.8
119.01421	4.0
121.02930	1.4
123.04529	1.2
124.01671	1.9
125.02445	1.6
133.02989	3.8
135.00897	1.3
136.01662	13.8
147.00867	7.1
148.01717	3.1
149.02409	0.7
151.00380	77.4
152.01160	8.0
161.02441	1.6
167.03542	4.3
168.96941	0.7
169.01430	4.6
171.04526	3.7
175.04094	3.3
178.99881	38.3
179.03529	3.4
183.04581	1.9
187.04016	1.8
195.02924	0.9
198.03140	1.2
199.04021	11.8
201.01959	3.8
203.03499	1.0
207.02985	1.0
211.04088	1.3
214.02657	0.9
215.03606	3.0
226.02753	1.8
227.03587	8.7
229.21332	0.8
231.02969	1.7
243.03030	13.4
255.03076	6.9
256.03903	4.2
271.02521	100.0
272.03308	10.7
287.05502	1.1
294.62842	0.7
299.01996	48.7
300.02783	65.9
301.03613	13.4
313.81003	0.9
331.04651	52.5
385.98846	0.8
386.59351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83247	0.4
55.43581	0.4
57.03465	2.9
57.05753	0.4
59.01386	100.0
64.73940	0.5
71.01392	2.7
73.02299	0.5
83.05045	8.1
136.68353	0.5
170.50180	0.7
180.30034	0.6
188.92139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16954	0.6
57.03459	1.4
57.35787	0.6
59.01385	100.0
71.01385	2.8
75.35931	0.6
81.92821	0.6
83.05028	30.4
90.34847	0.8
122.44386	0.8
129.85794	0.6
135.08194	1.1
168.97008	0.6
180.62563	0.7
188.06844	0.7
208.88890	0.7
254.98886	0.9
263.66699	0.7
267.40948	0.9
294.86002	0.8
324.63596	0.8
341.85971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2389
Annotation	Gibberosene D
Peak:m/z	Relative Intensity
51.35252	0.7
59.01385	77.1
63.40649	0.7
63.64502	0.7
86.75736	0.8
120.73876	0.9
164.44368	0.9
225.43118	1.0
301.21771	100.0
361.20358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37086	0.2
59.01387	100.0
83.05038	0.4
86.24789	0.3
94.21870	0.3
306.76508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22517	0.2
52.74464	0.2
53.99932	0.2
59.01381	4.0
60.01711	0.9
60.36040	0.2
61.01808	0.4
61.16888	0.2
61.98833	100.0
62.47155	0.2
65.06195	0.2
66.17494	0.2
67.55541	0.3
69.26887	0.2
72.92233	0.2
73.34826	0.2
77.95244	0.2
79.93239	0.2
80.00408	0.2
83.60717	0.2
88.91978	0.3
120.15028	0.3
137.06071	1.3
138.06387	1.0
139.06612	0.4
139.17413	0.2
140.06909	0.4
189.71248	0.3
353.41382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41187	1.7
53.70460	1.7
54.82772	2.2
57.03457	23.7
59.01388	100.0
60.01736	2.2
61.98847	11.2
67.05534	25.8
71.01390	3.8
71.05032	4.3
73.02985	3.3
75.00872	40.3
81.03450	2.9
83.05034	15.9
85.02963	10.6
95.05026	4.4
99.04520	4.1
107.05077	1.9
107.08691	3.5
109.06585	14.3
111.04542	13.0
112.13319	1.9
125.02419	38.4
125.09754	4.2
147.03337	3.3
147.04518	74.6
147.05620	3.1
151.07561	2.1
169.08701	97.9
213.07706	58.7
213.09621	3.9
361.13092	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	361.1506
Annotation	Gibboside
Peak:m/z	Relative Intensity
54.76939	0.4
57.03459	0.6
59.01382	17.4
71.01389	1.2
73.02956	2.4
76.57880	0.4
76.92291	0.5
83.05031	0.6
85.02966	1.0
87.04513	1.0
89.02439	0.9
92.30127	0.5
95.01401	0.8
102.22324	0.5
113.02470	1.9
125.06096	0.5
135.08156	2.0
137.09718	20.1
155.10783	100.0
156.11072	0.7
169.12387	0.7
181.08723	0.7
199.09775	57.1
232.76851	0.5
241.10846	2.9
301.16354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42983	0.7
56.37350	0.7
57.03455	9.3
57.18910	0.7
57.44169	0.8
59.01384	100.0
60.01738	0.8
60.11695	0.8
67.76403	0.8
69.50019	0.8
71.01376	1.4
73.02959	1.7
83.05022	20.6
85.02973	1.4
109.06609	3.8
111.04512	1.2
125.02465	2.3
147.04541	5.2
259.58383	1.0
264.43909	1.1
265.75397	0.9
278.15604	1.0
300.21890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03213	0.7
57.03449	6.7
59.01384	28.7
65.03980	0.8
69.03484	0.5
69.94793	0.4
71.01386	3.6
71.05051	0.6
72.99305	0.7
73.02935	2.0
75.00876	0.9
78.95905	4.1
79.95739	2.8
83.05018	4.1
85.02959	2.7
87.00864	4.4
89.02458	2.7
93.03424	0.5
95.04996	0.9
96.96008	100.0
96.96903	6.7
97.02973	0.7
97.06573	0.5
99.04501	0.9
101.02410	0.6
101.06066	0.8
107.01353	0.8
107.08709	0.8
109.06584	0.8
111.04555	0.8
111.08170	0.8
113.02454	1.0
119.08692	0.8
121.06610	2.3
122.03661	0.7
123.04529	1.0
123.08165	9.8
124.05330	0.7
125.02452	10.7
126.02795	0.6
137.09726	1.3
139.07632	2.8
145.02956	0.5
145.10251	0.5
149.09706	0.6
151.00374	3.4
151.04015	2.1
151.07646	0.8
153.09225	1.0
161.02478	0.7
161.04779	1.1
169.01422	3.5
169.08688	0.5
169.10220	1.0
171.11789	11.4
173.49400	0.6
178.99716	0.5
179.05690	0.8
181.08676	0.6
184.03793	0.9
187.12689	0.6
189.12849	2.7
191.05759	0.6
199.06125	1.0
199.09811	1.3
201.12828	3.9
203.10721	0.7
207.13968	1.0
219.13881	0.8
230.11787	0.8
237.15021	10.4
237.54987	0.5
267.02536	0.6
271.15674	0.8
281.13959	13.0
285.04126	0.7
301.16626	5.1
317.11096	0.9
325.09134	0.7
361.09692	48.2
361.14914	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84557	0.5
59.01383	17.2
61.98828	1.0
64.72417	0.5
71.01376	4.2
72.89160	0.6
73.02946	1.2
85.02956	2.6
93.03436	0.8
95.01399	4.2
96.96012	7.4
101.02434	3.0
109.02960	0.6
113.02467	2.9
121.02953	2.8
123.00887	100.0
124.01682	8.9
130.88112	0.6
136.01627	1.1
137.02480	5.3
138.03238	66.9
139.03009	1.1
139.04024	15.6
149.02451	1.2
151.04053	0.6
159.02972	0.6
161.04585	8.8
166.02707	1.2
178.02783	2.5
180.44368	0.7
181.05040	5.2
193.05067	1.1
233.48129	0.5
271.99255	0.6
301.09351	23.4
332.93277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81085	2.4
52.49866	2.3
52.52292	2.6
57.28175	2.4
59.01385	59.6
71.01373	2.7
73.02972	3.0
75.00896	3.4
80.05947	3.3
87.04541	2.3
95.05026	2.9
115.14988	2.4
116.92845	5.3
119.05027	100.0
139.04005	3.6
163.04028	70.6
178.42380	2.6
193.76959	2.7
209.11794	2.9
234.73264	3.2
235.13486	10.3
260.43228	3.1
293.68228	3.2
301.16553	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	361.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12100	0.2
53.42269	0.2
59.01388	1.6
59.44967	0.1
71.01365	0.3
73.76887	0.2
75.16603	0.2
78.95896	4.1
79.95738	2.2
87.51605	0.2
91.61389	0.2
92.10796	0.3
96.96011	100.0
96.96905	6.0
123.00895	4.6
124.01667	0.3
138.03236	3.2
139.03981	0.8
161.04539	0.3
174.66087	0.2
227.10034	0.2
230.01222	0.2
260.13031	0.2
301.09274	0.9
383.73798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0932
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
54.48168	1.8
57.03447	3.1
59.01387	70.8
71.01389	3.3
72.77561	2.1
72.99304	28.3
73.02959	3.0
83.05032	2.8
85.02928	2.5
92.10072	8.1
92.65651	2.2
96.96030	10.4
99.04523	4.3
109.06608	3.5
122.71050	2.3
163.35440	2.4
193.06618	3.4
207.08139	16.6
209.06285	2.4
219.08075	20.6
223.07695	2.6
225.09238	15.8
235.07619	13.7
237.09254	43.3
241.08672	3.1
243.06105	2.3
253.08702	41.4
262.53558	2.6
263.07092	5.1
269.08102	2.9
279.06702	3.4
281.08194	27.8
297.07544	9.2
299.09146	9.7
301.16617	10.8
307.06015	3.8
315.08774	66.7
325.07220	3.9
343.08371	34.6
361.09360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08958	0.4
54.28945	0.4
54.34360	0.4
57.03451	0.6
59.01386	100.0
76.25858	0.6
87.91001	0.5
96.09913	0.4
216.51561	0.5
217.00171	0.5
226.17944	0.6
299.15198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
59.01384	100.0
61.26376	0.4
62.89526	0.4
76.98006	0.4
89.02465	1.0
97.21097	0.6
103.77775	0.5
109.06561	0.6
118.25270	0.5
125.09644	0.6
133.38419	0.5
137.06044	0.9
138.05998	0.5
147.04436	0.7
151.00362	1.1
152.01138	3.6
166.02757	1.8
167.03433	0.8
186.03075	0.5
187.11278	0.7
201.02563	0.6
217.00333	1.0
283.48489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1868
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
53.57490	1.1
59.01379	22.8
59.19549	1.1
63.85346	1.0
69.75693	1.2
71.01400	1.2
75.00891	7.2
80.04939	1.4
83.05037	5.0
90.98233	1.2
109.02959	21.4
121.02946	18.0
122.03737	12.1
123.04527	6.6
124.01672	7.9
135.04547	5.3
137.02448	27.8
137.06068	2.7
138.03232	6.5
139.03995	16.0
149.06067	16.0
151.04010	7.1
152.04826	2.4
153.05659	2.0
163.07640	5.5
164.04799	3.1
169.94455	1.4
258.12512	1.6
283.19330	1.6
301.14615	13.3
329.13983	78.7
344.16339	49.3
359.18695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03137	0.4
59.01384	25.5
59.21404	0.4
64.34605	0.4
66.90538	0.4
76.11325	0.4
76.57692	0.4
83.77303	0.4
88.97760	0.4
108.05920	0.4
134.67616	0.5
135.76311	0.5
165.28151	0.5
230.98932	0.5
235.36317	0.5
239.16190	0.4
259.20703	0.7
277.21753	100.0
278.21872	0.5
321.73956	0.5
359.22107	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	360.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69306	0.2
53.67784	0.2
55.43573	0.2
59.01392	6.2
66.91217	0.2
67.12749	0.2
75.02549	0.2
108.02186	10.4
108.02907	0.5
116.67870	0.2
122.02476	0.3
138.01981	100.0
139.11885	0.2
145.02948	1.3
151.02792	0.2
160.04091	0.3
210.36963	0.3
227.08987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32547	0.5
59.01390	100.0
69.10076	0.5
69.50995	0.6
83.78687	0.7
90.05048	0.6
114.96126	0.6
117.03463	1.2
119.05067	0.7
123.03240	4.5
138.02014	0.9
138.05611	75.8
145.02960	11.4
163.04012	1.2
167.05820	0.7
172.38515	0.7
180.06702	2.6
189.95930	0.7
300.10931	23.3
325.09351	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	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14291	1.1
50.67260	1.0
55.32351	1.1
57.03460	3.2
59.01384	100.0
62.91897	0.9
63.07673	1.1
66.23990	1.1
71.01405	1.3
78.44669	1.3
81.03456	1.3
83.05042	4.8
85.02953	26.6
108.30097	1.4
110.13597	1.3
121.02926	2.4
122.03728	29.7
123.08201	2.3
125.06081	1.8
134.79929	1.4
135.04565	2.9
141.85446	1.4
149.09744	10.0
150.06860	7.2
155.78566	1.5
165.09227	10.1
171.11786	9.2
179.07195	1.5
187.11436	1.7
189.09271	1.4
197.09555	1.6
205.84114	1.6
213.12859	13.4
334.68802	1.8
353.20670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
71.01395	3.0
72.99301	0.7
73.02944	1.1
81.64540	0.6
83.05052	0.6
84.71548	0.6
85.02962	6.8
122.03764	1.2
152.35002	0.6
165.09180	1.0
166.54213	0.7
217.00209	0.8
331.44080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.6
57.11445	0.9
58.81959	1.2
59.01382	100.0
60.71039	1.0
61.98849	1.1
62.16748	1.1
66.07855	1.0
67.79523	1.2
69.03471	1.5
71.01376	9.9
71.05016	1.2
73.02937	9.0
73.24825	1.1
75.00876	1.3
81.03485	1.3
83.05042	1.9
85.02964	8.1
87.00900	1.9
89.02473	4.9
95.05101	1.1
97.02985	1.4
99.04548	5.6
111.04510	2.2
113.02434	2.9
123.04559	1.7
135.08159	6.7
137.06102	8.4
151.11316	1.5
153.09221	94.7
161.04649	1.7
167.10681	1.4
179.07141	1.7
197.08205	56.4
251.86389	1.4
299.14914	1.4
359.13412	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24966	1.8
57.03474	2.2
59.01385	99.9
61.98826	3.2
69.45227	1.7
71.01405	1.7
73.02934	3.0
75.00883	2.8
76.84369	1.9
81.03551	1.9
83.05020	2.6
85.02937	2.5
88.98812	2.3
89.02483	1.9
91.02091	1.9
98.28000	2.0
99.04575	2.6
103.36488	1.8
121.02956	26.2
123.04486	2.2
135.04526	25.0
137.06119	4.7
145.02980	2.1
147.04524	13.0
149.06085	10.2
150.03242	4.2
159.31886	2.0
179.07147	17.2
180.07916	48.6
208.07414	9.3
212.04703	2.6
223.09782	41.9
224.04791	3.4
226.08492	4.6
238.06339	9.2
240.04214	3.1
241.08772	3.0
252.07970	2.2
253.08875	4.4
254.05919	7.9
255.10324	9.4
266.06091	3.0
269.08197	74.6
271.09720	11.0
281.08252	11.6
283.09741	46.9
295.09695	3.1
297.11316	2.6
299.09335	60.5
300.09872	2.2
311.09293	70.7
314.11649	64.9
325.10773	3.2
326.11609	42.8
329.13986	100.0
341.13983	51.9
351.83206	2.0
359.15222	3.8
370.62479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61388	0.5
52.80285	0.5
54.35820	0.5
55.07935	0.5
58.54142	0.6
59.01390	100.0
71.01383	5.0
73.02981	0.9
74.63316	0.6
81.59230	0.7
85.02966	3.0
87.09254	0.6
92.10686	0.9
95.96870	0.6
101.02448	2.8
106.04269	2.3
113.02453	2.8
119.04987	1.1
127.23200	0.8
137.06088	69.5
138.06566	0.7
149.26273	0.7
161.04608	6.5
178.89618	0.8
204.02786	0.6
218.91544	0.6
337.11584	0.8
340.57529	0.6
354.09647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05607	1.1
56.23175	1.2
57.03436	1.2
59.01388	43.4
71.01382	13.3
73.29136	1.4
78.46616	1.4
85.02954	8.1
89.02441	10.8
101.02425	2.3
107.08699	1.7
113.02430	3.5
125.06139	1.8
133.10225	2.0
135.08176	11.4
153.09221	100.0
166.34155	1.5
197.08224	83.9
291.19852	1.9
359.08224	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	357.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78068	3.3
55.17239	3.5
59.01394	100.0
61.98829	4.5
73.16034	4.1
95.32903	4.6
121.02924	5.9
121.70689	4.1
144.04942	4.6
192.95778	6.0
246.33020	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	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78809	0.4
54.02037	0.4
55.30598	0.4
59.01381	8.5
71.01357	1.0
83.05014	0.6
85.02938	0.5
88.34115	0.4
88.98812	0.7
108.08194	100.0
113.02417	0.7
120.08174	2.6
132.08179	1.2
148.07672	2.0
152.07173	52.8
164.07149	0.6
166.08723	13.7
166.98769	0.5
176.07156	0.9
194.08221	5.6
196.06166	32.1
238.07286	4.2
298.09381	4.0
358.11627	4.3
384.28162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32783	50.8
56.61435	66.6
58.09204	53.8
59.01386	71.2
62.47360	58.5
66.46228	67.7
70.00560	60.1
71.69595	72.7
71.88086	61.1
91.40196	61.9
101.90549	65.1
112.28874	71.7
122.03738	100.0
145.00835	69.8
185.74472	74.3
219.13484	81.9
313.44247	73.7
326.79779	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
64.43227	0.4
74.64963	0.4
76.04662	0.4
116.09637	0.4
118.96632	0.6
132.98189	2.8
156.99976	1.0
157.03542	2.7
159.01509	1.7
166.84741	0.5
174.99261	25.3
201.02582	20.9
201.04036	0.4
201.04460	0.5
217.00327	70.4
284.07828	0.4
309.58868	0.5
359.01624	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	359.0989
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
59.01388	100.0
63.46516	0.8
64.34906	1.1
71.01393	11.4
73.02978	2.0
73.30833	0.8
80.45293	1.0
81.96533	0.8
85.02975	5.5
95.01409	3.4
95.62316	1.0
96.21546	0.8
96.96028	3.6
98.95657	0.9
99.00925	1.0
99.87419	0.9
101.02459	5.9
106.04263	1.7
107.05033	12.6
108.67210	0.9
113.02464	4.7
119.05053	1.5
123.00901	46.1
125.02507	1.0
135.04553	1.7
136.05374	1.9
137.02512	1.2
137.06099	54.8
137.07158	2.2
138.03244	56.5
151.04008	8.1
153.05608	14.6
161.04582	10.1
164.04878	1.1
166.99817	13.4
179.07187	1.2
182.02252	34.1
197.04579	60.2
198.46039	1.1
313.09299	1.5
366.74582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29914	0.7
55.91127	0.8
57.03470	1.3
58.00613	1.1
59.01385	37.9
61.65364	0.8
71.01381	9.2
71.05020	1.5
73.02941	1.2
78.21244	0.9
85.02964	2.0
86.78255	0.8
89.02458	6.5
95.01391	1.1
99.04552	1.2
101.02424	1.4
113.02460	2.4
135.08141	3.9
137.06087	2.2
148.05316	1.0
153.09215	100.0
163.04021	1.1
167.10796	1.7
197.08203	55.7
204.50604	1.1
212.10063	1.0
239.09253	4.6
300.09955	1.5
352.52560	1.1
359.13654	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	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
62.28536	0.5
66.42622	0.6
71.01060	0.6
71.01365	4.7
72.85078	0.8
85.02982	3.0
99.00931	0.7
101.02472	3.0
106.04268	0.9
113.02459	3.1
119.05022	1.6
137.06082	61.0
153.42146	0.6
161.04547	6.0
183.54216	0.7
186.35587	0.7
278.58826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
55.42715	0.6
56.67988	0.7
58.00611	1.2
59.01384	100.0
61.98817	1.2
71.01379	30.3
72.24984	0.7
72.99323	0.9
73.02954	1.5
73.21527	0.7
83.01405	1.1
83.05006	0.7
85.02943	6.3
87.00903	1.3
88.94206	0.7
89.02438	34.6
95.01421	1.3
101.02433	15.6
103.79675	0.8
107.05007	7.1
108.02171	5.7
111.00899	0.8
113.02445	13.3
119.03517	13.6
119.05008	16.7
131.03499	0.8
137.06085	20.7
138.01982	52.9
138.03181	4.9
143.03516	3.0
153.05565	1.8
161.04669	2.2
179.05605	8.6
179.07057	1.5
182.05910	1.4
182.30711	0.8
197.08249	4.0
254.57890	0.9
280.55746	0.8
296.39542	0.9
299.11432	19.6
299.14792	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	357.119
Annotation	Junipediol B 8-glucoside
Peak:m/z	Relative Intensity
51.51431	0.9
54.07553	1.0
58.00594	1.7
59.01373	56.9
60.68713	0.9
61.98828	15.8
63.61658	0.9
71.01389	5.6
73.02938	1.5
85.02940	4.0
87.00877	4.4
93.03444	1.3
96.96001	14.9
99.15423	1.2
101.02437	2.3
104.42235	1.1
106.04274	1.1
107.04285	1.8
107.05018	51.0
108.02208	1.1
110.92126	1.1
111.04484	1.0
118.42108	1.0
121.02947	5.0
123.04454	2.2
134.03685	1.4
135.04510	100.0
145.02936	4.5
149.02437	62.9
150.03221	64.7
151.07649	14.9
161.02441	5.2
161.04477	2.5
162.03226	4.4
163.03946	1.3
164.04779	22.8
165.05551	72.8
177.05551	1.6
179.03394	1.0
180.04315	2.4
195.04988	6.0
195.06601	18.1
327.10684	2.5
357.11993	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	357.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71582	0.7
59.01386	30.9
60.03081	0.7
60.34745	0.7
71.01394	2.0
75.00867	11.2
78.51600	0.7
79.23594	0.9
85.02973	3.7
89.02431	1.7
93.03447	4.6
93.70622	0.9
96.96012	4.6
99.04521	0.9
101.02441	1.1
129.01935	3.7
135.04532	100.0
150.05643	1.2
150.06874	36.3
151.07623	1.5
159.02982	1.9
161.04482	1.2
165.05717	0.9
177.01913	1.0
195.03482	1.3
195.05136	23.7
195.13971	0.8
225.16100	0.9
276.58319	1.0
321.19339	1.7
331.57858	1.0
357.12006	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	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11759	0.3
57.03460	0.4
59.01384	100.0
59.20536	0.3
59.72713	0.3
60.34514	0.3
61.98838	0.4
70.60007	0.3
73.02928	0.4
75.00868	0.3
85.02968	0.3
87.00869	2.4
88.69682	0.3
89.02478	0.3
97.06577	0.4
119.03511	0.4
121.02956	2.1
147.11964	0.3
160.50404	0.3
177.24815	0.3
269.17685	0.4
279.50330	0.3
357.06116	0.4
364.61703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36468	0.3
59.01383	100.0
61.98830	2.9
62.27377	0.3
78.19232	0.4
79.74760	0.4
83.05005	0.4
84.71851	0.4
87.00893	0.5
97.06561	0.4
121.02930	1.8
129.24420	0.3
146.71696	0.4
163.11353	0.4
177.61990	0.4
227.16562	2.4
327.25385	2.8
357.26544	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	357.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18844	0.2
53.66093	0.2
53.83362	0.2
59.01385	4.4
92.10794	0.4
93.43618	0.2
93.64313	0.2
94.75040	0.2
102.81555	0.2
120.63823	0.2
121.02969	0.3
135.04590	0.2
167.10777	100.0
168.11116	0.3
343.99100	0.3
357.20514	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22964	0.3
59.01376	3.5
61.98832	0.6
65.33169	0.4
65.64159	0.6
71.01369	0.8
76.57683	0.5
85.02937	0.9
92.19685	0.5
94.38996	0.5
104.05048	1.0
106.06615	100.0
107.06914	0.4
112.56601	0.4
113.02486	0.7
118.00801	0.5
118.06627	2.2
146.06073	2.0
150.05588	50.2
151.96524	0.4
154.06198	0.5
164.07150	11.2
192.06656	5.2
194.04581	6.3
234.05183	0.4
236.05620	0.8
239.38730	0.4
296.07608	0.9
356.09979	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	356.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37167	0.5
51.86086	0.4
59.01389	2.6
61.98841	23.3
64.28528	0.5
68.03051	0.6
71.01414	0.9
84.64753	0.7
85.02512	0.6
85.02962	1.2
85.40458	0.6
88.84565	0.6
134.03749	100.0
135.04082	78.1
137.02440	3.0
138.02805	2.1
140.04424	0.6
149.06096	17.4
150.06432	18.6
178.02721	15.8
179.03059	12.5
191.05624	3.0
192.05997	4.0
193.04977	31.9
194.05359	48.6
194.72659	0.6
199.21498	0.6
263.18680	0.7
263.88800	0.6
265.93607	0.6
293.12469	2.2
322.46432	0.7
344.68381	0.6
366.12869	0.7
369.53995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1071
Annotation	Rumbrin
Peak:m/z	Relative Intensity
57.01849	2.2
59.01407	3.7
61.74909	2.1
61.98848	16.9
69.46326	1.9
70.43511	2.0
71.01392	2.6
72.96969	2.0
73.02969	3.0
83.01402	2.3
85.02969	10.2
87.00899	9.5
91.83377	2.2
106.64934	2.8
115.00422	4.0
118.69176	2.2
135.04517	10.6
136.04849	9.7
137.04999	2.3
145.78647	2.3
164.99013	2.1
173.04485	3.8
174.01721	50.1
175.02037	24.3
175.05069	5.4
176.05408	4.1
179.03380	2.2
180.03819	4.0
181.83304	2.2
182.04277	2.5
193.06096	3.0
252.77885	2.2
266.07620	10.0
271.79886	2.8
296.08633	9.1
355.10336	3.5
356.10712	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	356.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23852	0.3
56.03709	0.3
59.01393	1.7
60.11163	0.3
61.98841	100.0
78.47051	0.3
88.32394	0.3
112.18484	0.3
142.57341	0.3
147.55315	0.3
153.58565	0.3
156.28694	0.3
201.34920	0.3
221.15573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24680	0.3
55.01882	0.4
59.01387	5.5
59.34981	0.3
71.01379	4.2
72.99313	2.1
73.02962	1.7
75.00872	17.1
85.02960	1.9
87.00878	36.6
89.02452	2.3
96.48960	0.3
96.95999	0.5
96.96988	0.3
99.00896	5.4
101.02442	2.6
105.01942	28.4
110.87167	0.4
115.00389	0.8
117.01925	1.4
119.03529	0.6
121.20982	0.4
129.01955	2.9
133.01427	1.3
135.03020	0.5
147.03009	6.7
165.04059	100.0
186.79434	0.4
191.05536	0.6
194.34113	0.3
195.05106	1.5
228.01152	0.4
255.08868	0.4
297.11780	0.6
357.10315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1196
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.30381	1.5
57.03458	1.7
59.01385	76.9
68.66656	1.6
71.01378	27.1
72.16207	1.7
73.02952	1.5
85.02970	9.2
87.00929	1.6
89.02444	23.0
96.96005	2.6
101.02465	14.3
108.02202	23.1
109.02970	2.8
113.02480	2.6
119.03516	4.3
120.99654	3.0
134.03738	2.2
135.04558	7.4
136.05341	8.2
145.47476	1.7
151.04012	2.0
152.01221	8.8
161.02502	2.7
162.03238	100.0
162.04579	3.7
163.04015	3.8
177.05579	97.5
182.34258	2.1
195.06645	24.5
333.03000	2.0
357.08209	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	355.2857
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
55.26583	2.9
58.48989	3.4
90.71568	3.3
92.94929	3.3
96.68875	3.9
152.19563	4.1
188.81189	3.6
258.74481	3.9
268.83847	4.3
293.28546	100.0
304.89529	3.8
337.27686	22.8
355.28622	93.2
361.65701	3.8
373.57126	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	355.3222
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.30673	0.3
52.42936	0.3
59.01381	0.4
61.98826	0.5
62.49929	0.3
62.51347	0.3
62.68682	0.3
83.99092	0.3
89.60986	0.3
94.11306	0.3
121.96592	0.3
126.38301	0.3
307.30060	0.5
309.31696	5.3
337.31360	0.6
355.32230	100.0
356.28156	0.5
356.32565	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	356.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.2
61.98836	3.0
68.29668	0.4
68.44858	0.4
71.01350	0.4
71.42031	0.4
77.00204	0.4
85.02953	2.2
86.03288	0.6
93.03466	0.6
108.04569	100.0
132.04604	0.7
134.03755	11.9
135.04080	8.4
149.06104	1.9
150.05615	51.7
167.87413	0.5
178.02670	0.6
179.03107	1.0
191.05644	5.1
192.06042	4.1
193.06357	6.6
194.05302	2.8
194.06529	2.6
215.76144	0.4
282.38864	0.5
293.12433	0.7
356.09818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01390	2.0
71.01363	0.4
85.02968	0.8
88.29707	0.3
89.02440	0.5
101.02442	0.4
104.05033	0.4
106.06630	100.0
106.10740	0.4
108.08205	5.6
113.02468	0.8
118.06628	0.6
120.08155	0.5
131.03784	0.6
133.43030	0.4
146.06137	0.5
150.05614	35.7
151.03987	0.4
152.04398	0.5
164.07198	6.7
174.05621	0.4
192.06674	3.7
194.04610	14.6
236.05666	1.8
296.07755	2.2
334.20370	0.4
338.58072	0.4
355.61569	0.4
356.09903	6.2
359.32303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.0
63.54675	5.1
69.89125	5.5
90.09823	6.1
107.01469	7.4
149.06085	34.3
151.00354	23.2
193.05017	100.0
200.01700	6.3
218.05811	35.1
355.10278	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98835	0.7
62.21695	0.6
75.63245	0.5
79.14536	0.5
82.92319	0.5
85.60435	0.6
98.97425	0.6
124.30349	0.6
199.11137	0.5
214.25749	0.6
267.17911	1.0
332.31650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48536	0.4
52.88557	0.5
59.01387	100.0
61.98831	0.6
68.66761	0.5
75.00898	0.6
83.49004	0.6
111.08157	2.3
117.58160	0.5
148.58801	0.6
355.15811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80205	0.6
59.01392	100.0
61.98838	7.2
71.77451	0.7
74.50761	0.5
76.57962	0.6
83.38155	0.5
90.45737	0.5
99.95484	0.5
101.02458	0.6
108.65251	0.6
175.14963	0.7
191.10811	2.4
195.55643	0.7
213.37654	0.7
247.06285	0.6
297.14825	0.6
311.19925	0.6
351.38632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
64.88274	0.9
66.75418	0.9
85.02960	1.1
88.35625	1.1
105.03571	1.1
105.44941	0.9
107.05052	1.4
109.02955	1.3
122.03743	10.5
135.04526	23.6
147.08180	6.5
149.06050	3.9
149.09727	14.2
151.07684	1.8
159.06287	1.3
159.54172	1.2
161.09738	15.2
163.07695	7.1
163.11292	62.2
164.08463	19.2
165.09177	4.9
177.09216	94.1
178.10002	20.5
179.10788	73.3
179.12372	2.2
183.10307	1.4
186.29430	1.0
187.11267	4.2
191.10785	11.8
193.08664	6.7
193.10323	1.0
265.12335	1.5
279.13876	1.1
280.14609	4.6
298.15768	41.1
304.88318	1.1
307.17044	2.2
309.22266	2.0
337.21777	58.4
340.20459	100.0
355.22830	56.8
356.23315	1.2
356.61560	1.0
373.53268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17221	1.3
54.82479	1.3
57.03456	1.7
59.01380	34.3
60.99318	1.7
61.01030	2.9
61.98844	6.3
64.49796	1.3
67.01910	9.6
69.03466	3.4
71.01381	23.3
72.99315	7.3
73.02948	3.8
73.54768	1.4
81.03510	1.8
83.01389	1.6
84.66031	1.7
85.02949	12.9
87.00871	14.7
89.02457	7.4
93.03450	66.6
93.04011	3.0
96.96024	16.3
101.02460	10.5
111.04528	12.9
113.02466	7.6
113.06082	4.1
119.03452	1.9
121.02132	3.4
121.02950	62.1
121.91093	1.7
127.04059	2.3
128.15053	1.5
133.02969	19.6
133.03978	3.2
133.08676	2.2
135.04573	2.2
137.02475	2.7
149.02473	2.6
155.03554	2.1
157.05032	2.9
161.04568	7.9
163.03983	2.0
173.04547	74.6
175.05197	3.5
177.01974	7.4
181.05072	13.9
191.05638	100.0
192.06041	2.1
193.01401	1.8
218.72569	1.8
233.06540	2.4
235.07217	1.8
261.29791	2.0
295.13959	24.9
311.13229	6.3
337.09241	2.1
355.10477	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10691	0.3
50.36222	0.4
55.01884	0.4
57.30779	0.4
58.99621	0.7
59.01379	31.9
59.83940	0.4
71.01375	22.1
72.99299	0.6
73.01180	2.1
73.02937	4.6
74.99119	0.7
75.00877	0.5
75.67428	0.3
83.01391	0.8
85.02936	5.6
87.00864	12.3
87.02733	0.5
87.04510	5.3
88.44183	0.4
88.98812	1.0
89.02432	14.9
96.95993	13.1
99.00886	0.5
101.02432	6.5
102.98553	0.5
113.02448	5.6
113.91522	0.4
117.01854	0.7
117.97327	0.5
119.03527	2.9
122.79737	0.5
123.96630	0.4
131.03513	2.3
133.05055	100.0
135.01193	2.3
135.04823	0.7
136.94035	0.6
143.03493	0.6
161.04578	2.2
175.06157	1.4
179.05576	1.8
195.16571	0.4
205.07195	0.9
235.08218	0.5
236.95671	0.6
260.97675	0.5
263.07642	0.7
264.88058	0.5
295.14020	6.8
355.07022	1.5
355.10938	0.9
360.42282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
62.91089	0.5
64.89828	0.5
70.23736	0.5
71.01398	2.4
78.73837	0.5
79.76391	0.5
85.02992	0.7
101.02453	0.9
113.02486	0.7
132.05817	1.0
133.06602	80.5
150.16302	0.6
161.04562	3.1
285.29501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2336
Annotation	Troxilin B3
Peak:m/z	Relative Intensity
50.14321	0.8
59.01390	6.2
61.03696	0.8
67.73820	0.8
70.87215	0.8
89.61211	0.8
94.04252	2.2
97.06563	1.4
103.01297	0.9
109.18643	0.9
120.06957	1.0
123.08154	4.5
137.09720	30.3
139.11290	100.0
139.80067	1.0
157.12321	1.8
165.95775	1.1
169.12349	1.5
191.05663	1.6
201.11334	11.4
275.51791	0.9
353.23398	14.1
373.37952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3065
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
55.41241	1.6
58.08027	1.3
59.60225	1.4
71.96572	1.7
86.99384	1.6
95.82623	1.6
114.97209	1.7
193.90460	1.8
240.29474	1.7
255.23215	12.8
272.55466	1.7
331.71490	2.1
353.30661	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	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.13923	0.1
59.01388	0.3
69.35966	0.1
74.86339	0.1
107.05054	0.2
125.31048	0.1
147.08177	0.3
163.11287	100.0
164.11597	0.8
168.41089	0.1
177.09209	72.2
178.09514	0.8
191.05441	0.2
194.05899	0.2
202.89532	0.2
218.03294	0.1
222.08987	1.0
353.21259	70.5
354.21722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2337
Annotation	Trioxilin B3
Peak:m/z	Relative Intensity
54.82776	1.0
59.01379	9.3
70.84007	1.0
80.31300	1.1
80.44990	1.1
90.06573	1.3
94.04264	5.5
95.05061	1.4
97.06602	12.3
110.00853	1.2
111.08188	1.8
118.50454	1.3
121.02963	7.8
137.09723	39.9
139.11290	100.0
153.67775	1.1
157.12331	4.7
167.10760	2.8
169.12280	1.4
191.05566	2.8
201.11406	10.7
353.19189	1.8
353.23376	29.9
366.49438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2337
Annotation	(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate
Peak:m/z	Relative Intensity
57.03452	0.7
59.01396	5.3
61.98882	0.7
62.68620	0.5
66.93963	0.6
71.59332	0.6
94.04238	5.3
95.05035	1.5
97.06597	11.4
101.06091	1.0
123.90190	0.7
137.08925	0.8
137.09732	35.4
139.11299	100.0
157.12358	4.2
167.10701	0.8
169.12349	1.2
178.87900	0.6
191.05576	1.0
201.11353	17.3
237.06467	0.6
313.48785	0.6
334.53064	0.8
353.23404	34.0
354.23920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01387	70.1
60.71771	0.3
60.99318	0.4
61.98837	2.2
62.55703	0.3
66.99306	0.3
71.01382	3.0
73.02962	1.4
83.01384	0.4
85.02956	11.8
87.00859	2.7
87.25688	0.4
88.98795	4.0
92.76142	0.4
93.03455	4.5
99.00890	0.5
99.04569	0.4
101.02451	1.7
109.02966	1.4
111.04542	0.6
113.02444	0.5
115.18325	0.4
127.04023	2.8
133.02983	1.5
135.04512	2.6
137.02516	0.4
143.58130	0.4
149.57628	0.4
159.06464	1.8
159.07672	0.3
161.02466	2.6
161.04602	0.7
171.03004	0.5
173.04549	3.3
179.03494	1.8
183.26683	0.3
191.05644	100.0
192.06024	0.4
293.16122	6.4
327.61996	0.4
329.81561	0.4
353.09012	1.6
353.17609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99616	0.8
59.01385	8.9
61.98837	1.3
70.95486	1.0
79.95728	14.4
82.93317	0.9
88.18005	0.8
95.95240	1.5
96.96009	100.0
97.00971	0.9
122.97601	4.7
129.32855	1.0
138.67487	1.0
144.02319	0.8
191.05629	1.6
353.20123	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.8
66.59974	0.3
67.01903	0.4
68.18203	0.3
71.01378	0.5
71.68542	0.3
73.02938	0.3
81.03457	0.3
85.02961	11.7
85.03455	0.5
87.00883	2.5
92.10744	0.4
93.03477	3.6
98.48704	0.3
99.00906	0.3
109.02989	0.5
111.04541	1.4
127.04017	3.4
131.57550	0.3
133.02989	1.4
135.04491	0.5
137.02513	0.4
137.45268	0.3
161.02483	2.3
171.02988	1.1
173.04578	2.0
191.05644	100.0
192.05963	0.6
353.08902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1046
Annotation	Rhopaladin D
Peak:m/z	Relative Intensity
51.65133	0.6
56.62605	0.6
57.03455	0.9
58.99603	1.1
59.01384	19.6
59.62845	0.6
61.00723	1.0
61.01024	18.4
71.01397	7.0
71.67546	0.7
72.99310	42.4
73.02948	1.5
75.00908	1.0
75.92155	0.6
83.01353	0.8
85.02970	3.4
85.06590	1.2
87.00906	1.1
89.02466	5.0
93.03477	1.0
96.96010	16.2
97.02900	0.7
99.42998	0.7
99.92595	3.2
101.02457	3.4
101.06101	1.6
103.02231	1.2
108.02184	6.5
109.02995	1.1
113.02449	2.8
115.04008	0.8
115.80639	0.6
119.03471	0.8
129.05527	0.7
133.03343	2.7
135.04507	6.5
143.08629	0.9
145.10226	1.2
152.01137	3.0
153.01936	2.8
157.10246	0.7
161.04514	2.6
163.02415	0.7
173.09703	11.3
175.11336	1.4
179.03477	2.6
179.88307	0.9
191.05617	6.5
191.10733	0.8
195.08836	0.8
217.10464	0.9
237.13033	1.6
247.09718	2.6
248.17378	0.7
266.03021	0.7
293.12537	3.3
309.11716	8.0
315.07193	5.3
324.81937	0.7
353.10574	100.0
353.14188	3.6
365.82092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03444	1.1
58.00602	1.3
58.58295	0.5
59.01385	25.9
60.30122	0.6
63.33553	0.6
65.03964	0.9
66.62488	0.7
69.03461	1.4
71.01379	23.1
72.99316	1.3
73.02942	39.3
76.84180	0.6
77.93546	0.7
79.15517	0.8
79.57653	0.6
81.03458	4.2
83.05023	14.8
85.02954	9.0
89.02442	25.8
91.24888	0.6
93.03451	85.4
99.00883	10.8
99.04519	11.2
101.02434	4.7
111.04523	32.4
111.85551	0.7
113.02454	5.5
119.03513	1.1
129.01923	3.0
137.02441	26.3
143.03549	7.5
149.04477	0.7
155.03522	15.5
161.04503	1.1
173.04550	100.0
179.05606	7.7
191.05698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42392	2.4
51.07555	2.3
57.03465	6.9
58.86981	2.1
59.01385	100.0
69.45992	2.4
71.01398	6.7
73.02946	2.5
82.95418	4.5
83.05054	20.0
85.02966	3.0
88.32603	2.9
96.96012	5.1
105.09242	2.8
117.06043	2.8
159.66805	2.6
191.05609	18.0
212.59926	3.0
262.78857	2.9
271.15692	4.4
319.48944	2.9
320.42682	3.2
353.09116	4.3
353.19833	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	353.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	5.7
59.01384	100.0
67.02010	4.9
71.01391	7.1
83.05046	33.6
85.02960	5.5
92.10217	9.6
93.03474	7.2
95.05006	5.7
99.00865	58.1
123.08122	6.5
149.09746	10.1
191.05621	28.4
241.28041	5.3
256.79239	5.8
265.99704	5.5
353.19742	7.4
359.51501	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	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	12.7
57.03447	8.2
59.01382	60.7
61.01024	18.6
62.10238	1.8
69.04377	1.8
71.01384	60.2
72.99303	44.2
73.02940	38.2
74.38634	1.8
75.00868	2.1
83.01376	16.9
85.02946	44.8
87.00892	3.3
89.02441	16.3
95.01400	4.1
96.96030	3.8
97.02920	2.0
99.00880	10.1
101.02432	69.3
113.02449	30.8
119.03528	2.3
131.03456	2.4
135.04529	43.7
138.05649	3.0
139.52252	2.0
145.85986	1.8
159.03017	4.7
161.04549	22.2
179.03505	21.4
191.05635	53.7
221.10326	100.0
226.01942	1.9
258.25491	1.9
261.95184	2.5
309.11304	4.5
349.65195	2.1
353.10382	89.5
353.14581	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98839	0.7
69.03461	1.4
70.65386	0.6
71.01387	6.8
72.99307	0.8
73.02955	3.6
75.00858	0.9
79.45323	0.6
83.01376	1.5
85.02939	9.0
87.00893	1.3
89.02449	3.8
93.03436	1.0
96.95991	11.3
101.02408	4.5
108.11035	0.6
111.04523	0.7
113.02441	10.2
119.03519	1.2
120.93946	0.7
127.03962	0.7
131.03491	0.9
131.07123	69.5
134.03719	1.2
135.04518	11.1
146.04869	4.5
147.05632	21.6
149.06082	0.8
161.04510	1.3
161.05904	1.1
161.07175	15.1
173.08182	0.7
175.05119	16.0
179.03467	5.5
189.06699	7.8
191.05623	46.4
219.04085	1.2
233.05635	1.0
353.09921	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	351.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75403	0.7
59.01384	47.8
61.98838	1.0
71.01382	1.2
87.04501	1.0
92.10725	1.2
96.95991	0.9
99.00851	1.3
104.47579	0.8
108.77316	0.9
137.09720	2.0
152.31090	0.9
155.10753	1.0
165.09213	1.3
174.99246	5.4
181.08723	1.4
193.12344	95.0
194.12599	0.9
199.09813	4.6
307.08759	1.4
309.10220	14.6
351.11313	100.0
351.21613	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	351.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	9.8
57.03460	10.9
59.01384	100.0
60.39391	9.2
61.98842	15.8
71.01381	14.7
74.17543	10.9
78.95898	12.2
80.91697	50.4
82.95425	39.7
83.05038	63.7
85.02959	12.5
96.96985	22.1
109.44203	9.9
112.05225	10.7
121.06566	12.6
123.08137	53.4
151.11212	13.4
157.59380	10.6
192.95699	13.2
194.27750	13.4
231.07719	10.4
291.12247	14.1
351.18219	13.9
351.21994	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36026	0.4
59.01382	100.0
61.01024	2.1
70.83275	0.4
70.87835	0.4
71.01392	4.5
73.02942	0.7
78.77811	0.4
85.02967	2.1
89.02454	1.0
96.95998	3.1
101.02407	3.2
109.76920	0.4
113.02459	0.7
133.02969	0.6
153.01913	0.5
161.04523	2.0
189.07634	0.6
219.12399	3.4
221.81865	0.5
291.14514	5.8
291.81604	0.4
351.09018	11.3
351.16418	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98825	100.0
78.03780	0.4
82.01696	0.3
93.03442	0.6
119.63345	0.3
134.02626	0.3
135.04482	0.6
141.51724	0.3
173.04530	1.4
191.05592	0.7
195.34978	0.3
224.14297	0.3
243.37627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85054	0.2
60.18644	0.3
61.98840	100.0
64.35624	0.2
112.63833	0.3
129.48572	0.3
163.63606	0.3
167.99658	0.3
191.05618	0.6
207.70299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15298	0.2
59.01371	1.9
64.43330	0.2
67.01900	0.4
71.01399	0.5
73.02956	0.3
81.03462	0.2
83.05031	0.5
85.02943	10.5
87.00867	2.3
93.03455	5.3
99.04509	0.6
105.77981	0.2
106.90719	0.2
108.23266	0.2
109.02994	0.4
111.04523	1.7
127.04027	3.1
133.02988	1.1
135.04524	3.5
155.03406	0.3
159.44890	0.2
161.02483	1.9
165.42731	0.2
171.03014	0.5
173.04564	3.3
179.03487	1.8
182.31535	0.3
191.05629	100.0
224.59798	0.3
353.08789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55663	0.2
59.01399	1.3
67.01917	0.2
71.01406	0.6
73.02936	0.2
81.03476	0.3
83.05035	0.4
85.02960	10.6
85.03460	0.5
87.00891	1.6
93.03463	3.8
99.04512	0.4
109.02943	0.9
111.04538	1.1
127.04018	2.5
133.02991	0.6
135.04575	0.4
161.02463	2.8
171.03021	0.4
173.04514	1.1
179.44337	0.3
191.05634	100.0
192.05997	0.9
231.01222	0.3
353.08868	1.2
370.59122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01380	2.0
67.01885	0.5
69.32785	0.2
71.01397	0.6
72.99304	0.3
83.05009	0.4
85.02950	11.1
87.00881	2.4
92.10835	1.0
93.03450	5.1
94.50789	0.3
98.77216	0.2
99.04503	0.5
109.02949	0.5
111.04530	1.9
127.04005	4.2
129.43747	0.3
133.02972	0.4
134.03682	0.3
135.04530	3.4
137.02484	0.3
140.77193	0.2
151.07706	0.3
155.03400	0.3
161.02451	1.7
173.04573	2.9
179.03513	1.8
191.05640	100.0
191.72409	0.3
200.31100	0.3
219.97873	0.3
241.18541	0.3
353.09061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12213	0.3
51.07079	0.2
54.43795	0.2
55.62638	0.2
55.64802	0.2
61.98835	100.0
63.53522	0.3
67.45782	0.2
76.27134	0.3
79.58388	0.3
86.39758	0.3
122.20998	0.3
156.24480	0.3
249.14127	0.3
290.42511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71670	0.2
57.18827	0.2
59.01393	0.5
61.98837	100.0
70.86185	0.2
101.75943	0.3
176.61409	0.3
177.46938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17838	0.2
61.98834	100.0
71.19461	0.3
77.17266	0.3
94.20856	0.3
111.51292	0.3
112.48472	0.3
125.14474	0.3
141.18279	0.3
196.48636	0.3
215.47833	0.4
307.32745	0.4
370.51947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	90.5
60.27765	0.5
61.01037	3.8
71.01387	5.3
82.89642	0.7
83.90107	0.5
84.94547	0.6
85.02969	1.3
88.70062	0.6
89.02466	2.2
95.05024	0.8
96.96027	3.7
105.03454	0.7
113.02457	1.2
123.04530	69.6
127.07634	1.1
131.01746	3.6
133.02991	4.2
153.05594	100.0
161.04596	1.5
205.10442	0.9
219.12401	2.8
249.88820	0.6
291.14539	5.0
315.10947	20.5
350.62085	0.7
351.09058	19.8
351.13101	1.0
351.16702	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	351.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09394	1.1
54.20998	1.2
54.28264	1.0
55.64572	1.0
57.03461	2.1
59.01388	18.6
64.35046	1.1
71.01403	1.3
71.05035	5.8
78.95921	6.7
79.95745	1.2
90.97157	2.9
96.96011	100.0
96.96933	11.7
109.06540	1.7
114.93422	6.6
118.96645	1.5
132.98204	12.0
137.09669	2.4
149.09731	2.7
153.12839	1.6
165.26035	1.2
174.99258	19.2
189.12852	2.1
191.14441	6.0
209.15466	24.1
225.18867	1.6
227.55597	1.5
229.17178	1.2
251.16684	1.5
253.14497	18.1
269.17624	20.7
273.08978	4.9
279.05618	4.4
291.10101	14.7
303.09229	8.1
303.23438	1.2
305.10748	11.2
307.12372	5.7
309.10269	2.9
315.19714	5.8
317.07047	1.3
319.08682	2.0
321.10309	7.6
323.11887	4.7
325.13214	8.4
333.10385	10.0
351.11322	95.9
351.18201	4.1
351.21985	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	349.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14964	1.1
52.17734	1.6
54.82702	1.2
55.01883	1.4
55.13604	1.1
57.03477	4.8
59.01384	100.0
60.92358	1.1
61.98839	2.0
71.01376	52.8
72.99303	3.2
73.02937	9.4
73.04072	1.6
78.95943	2.0
83.01397	2.2
84.95163	1.2
85.02963	14.9
87.00885	2.7
87.04526	1.2
89.02434	46.0
94.36525	1.3
95.01385	5.4
95.80496	1.1
96.96034	2.1
99.00896	2.0
101.02426	26.0
101.03008	1.9
113.02442	19.3
113.54402	1.2
115.07618	1.2
119.03494	14.9
121.02945	10.5
131.03488	1.7
143.03505	2.9
145.39651	1.3
161.04532	7.4
179.05623	6.9
187.13441	5.4
245.13861	1.9
291.73953	1.6
305.16046	2.8
349.10275	4.9
349.14636	4.8
349.18701	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33735	0.5
53.27790	0.5
57.03460	0.9
57.34801	0.6
59.01379	4.4
63.59248	0.5
67.01894	7.4
72.99284	0.6
74.37830	0.6
74.39581	0.7
83.05054	0.9
85.02954	0.9
92.10153	0.8
96.76891	0.6
111.00887	100.0
123.08154	0.7
123.75967	0.5
134.54651	0.6
148.27499	0.6
149.09741	0.8
153.09187	0.8
179.07187	0.9
191.14459	3.7
219.17528	3.3
221.15494	0.9
225.15024	0.8
235.17059	0.8
237.18661	0.9
258.70987	0.7
275.53229	0.7
301.63815	0.6
311.22299	0.8
348.07452	0.7
349.20273	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	350.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71670	0.2
57.18827	0.2
59.01393	0.5
61.98837	100.0
70.86185	0.2
101.75943	0.3
176.61409	0.3
177.46938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09359	1.9
50.17068	2.0
52.57587	1.6
53.30017	1.9
53.46571	2.0
55.07291	2.2
57.03465	10.5
57.13052	2.2
58.30055	2.1
59.01392	51.2
60.99323	2.2
61.98841	13.9
71.01396	18.1
72.02180	17.9
73.02965	11.2
73.14845	2.2
74.36804	2.3
78.91911	5.7
85.02970	3.4
88.85496	2.1
95.05059	3.1
101.02438	8.1
111.08192	3.3
121.02953	75.8
121.03743	3.8
123.04536	4.7
137.09760	4.0
148.87604	3.3
151.11272	10.6
153.12880	3.1
159.08118	9.4
163.11270	5.2
165.12881	14.2
167.14352	4.6
175.11253	3.6
177.12862	3.8
179.14447	4.0
181.07227	2.6
187.07664	10.1
189.12869	12.2
190.32954	2.2
193.12338	85.6
205.15991	40.8
207.13948	3.8
211.13463	2.5
221.15483	4.1
223.17035	30.8
233.11583	28.7
233.15459	2.7
235.13451	2.8
247.13187	5.4
249.14890	12.8
267.16028	100.0
289.14255	72.1
349.16458	53.3
349.20285	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	349.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	15.2
58.00610	4.5
59.01384	31.9
61.98826	26.6
62.99795	3.5
63.31894	3.0
78.95888	4.5
81.03472	7.2
96.96982	6.4
97.02982	6.9
97.06583	3.4
102.98914	3.6
109.02977	17.7
110.00136	4.5
111.08177	13.3
122.00124	4.9
123.00906	8.0
125.99593	17.8
134.34065	3.4
135.89507	3.7
137.01453	4.7
137.02460	80.4
137.99573	15.0
138.03256	4.8
153.01936	14.2
153.99098	4.5
155.03520	22.8
179.07130	6.0
181.01321	4.8
181.12329	23.2
189.05786	3.8
196.03790	100.0
205.16068	19.1
223.17006	16.6
251.16562	67.6
267.16064	35.0
275.13068	4.1
277.89572	3.9
289.14304	15.1
305.17648	7.7
330.15247	3.5
349.16321	8.2
349.20227	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	348.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98834	6.0
75.95226	0.3
85.34370	0.4
107.54498	0.3
229.07520	0.3
251.16487	0.6
284.46521	0.3
309.60748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85979	0.7
59.01374	3.2
61.30974	0.7
61.98833	4.8
63.02392	8.3
65.00321	14.6
65.22800	0.7
76.45191	0.7
82.45458	0.9
83.01380	10.4
92.10760	0.9
95.01397	1.0
96.96023	1.2
101.15497	0.9
107.01399	28.9
107.78288	0.9
108.02203	1.3
109.02972	6.2
111.00866	1.2
119.01407	1.5
121.02957	2.0
123.04535	1.7
124.01643	1.5
125.02435	7.3
133.02959	5.6
135.00887	1.8
136.01660	10.3
137.02425	1.2
138.03232	27.7
143.05014	1.4
146.65707	1.0
147.00923	6.4
148.01692	3.6
151.00378	85.0
152.01131	9.0
153.01917	1.7
153.05574	22.6
155.05038	1.1
157.02904	1.3
159.04486	1.1
160.05734	0.9
161.02477	1.1
163.00378	3.6
163.04076	1.2
167.03520	1.4
169.01469	9.7
169.02705	1.4
171.04501	4.8
175.03969	3.7
178.99864	34.0
179.03426	5.1
183.04535	3.1
187.04025	3.1
197.04567	19.8
199.04056	11.6
201.01909	5.5
203.03555	1.0
211.03925	1.2
213.02005	1.5
215.03477	2.1
224.84242	1.0
226.02766	1.5
227.03520	10.8
231.02982	3.3
239.03198	0.9
243.02986	14.6
244.26253	0.9
245.04561	1.7
255.03058	8.4
256.03830	1.8
271.02515	100.0
272.03262	10.7
273.04156	1.9
299.02005	45.2
300.02780	64.5
301.03543	13.8
331.04636	57.8
349.13397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.0
59.01384	26.5
61.98832	7.0
71.01382	11.6
73.02959	2.2
79.99191	1.0
82.90929	0.8
83.17003	1.0
85.02944	1.1
87.00921	1.1
88.85119	1.0
89.02438	8.6
93.57558	0.9
96.96027	2.1
101.02427	1.0
125.09734	1.9
127.11287	1.3
137.09752	5.2
155.10793	62.4
171.10286	49.7
173.11797	1.9
182.33307	1.1
199.09778	11.3
201.11324	5.5
213.11359	6.6
217.10844	100.0
259.11856	6.5
277.04681	1.0
349.15106	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83167	0.3
57.43625	0.4
59.01391	3.9
60.01732	0.5
61.98834	100.0
87.60444	0.5
97.63773	0.4
105.75597	0.4
130.85835	0.4
133.02960	0.8
137.67007	0.4
181.34120	0.4
285.04086	6.9
339.89047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02641	0.3
57.03490	0.3
59.01379	4.5
59.01621	0.3
60.01715	0.5
61.01807	0.3
61.72233	0.3
61.98833	100.0
62.50817	0.3
92.10894	0.6
117.40667	0.3
126.56761	0.3
180.74306	0.3
239.86438	0.3
278.40930	0.4
314.52283	0.3
367.40451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22494	0.2
59.01388	3.4
60.01710	0.3
61.01809	0.4
61.98834	100.0
62.47813	0.2
63.16345	0.2
69.04028	0.2
92.10857	0.3
148.20351	0.3
228.25957	0.3
246.55199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
52.30481	0.2
54.83010	0.2
59.01382	3.8
60.01703	0.3
61.01810	0.5
61.98835	100.0
64.34894	0.2
75.87507	0.2
77.71800	0.2
81.44437	0.2
103.57230	0.2
139.58511	0.2
219.97188	0.2
261.87030	0.2
288.19080	1.4
311.29852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01376	100.0
60.01716	0.8
61.98831	6.0
62.62172	0.5
68.55927	0.5
73.88869	0.5
91.77393	0.6
95.04996	0.5
187.38268	0.7
191.97141	0.5
238.33687	0.6
265.14331	0.6
287.18674	9.0
310.84308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71508	0.2
52.99295	0.2
59.01383	4.3
60.01720	0.6
61.01807	0.4
61.98836	100.0
62.02119	0.2
90.77103	0.3
92.66351	0.3
106.11722	0.3
111.12540	0.3
123.86012	0.3
137.38261	0.3
162.10072	0.3
206.04010	0.3
222.31953	0.3
305.05948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32632	0.2
51.86701	0.2
54.83023	0.2
59.01386	16.9
60.01447	0.3
60.01723	4.2
61.01812	5.2
61.98834	100.0
62.02138	0.3
64.70245	0.2
66.69530	0.3
83.05022	1.5
84.05367	0.4
94.06584	0.2
111.15490	0.3
113.54615	0.3
114.52666	0.3
152.39865	0.3
153.13560	0.3
285.04114	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	348.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82928	0.3
59.01378	5.5
60.01702	0.6
60.62845	0.3
61.01805	1.2
61.98824	100.0
79.95695	0.5
87.55515	0.3
92.10685	0.3
96.95972	0.5
106.52906	0.3
115.37760	0.3
125.80445	0.3
174.73109	0.3
184.22906	0.4
298.96481	0.3
349.60168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27067	0.4
55.21492	0.4
57.48839	0.5
59.01385	100.0
69.03455	0.5
71.01376	0.5
71.05025	0.5
72.22371	0.4
73.02950	3.2
74.49844	0.4
79.99538	0.4
83.05040	2.2
92.10150	0.6
97.06587	0.5
111.08169	0.6
123.08173	7.2
141.09241	0.6
185.08170	0.8
193.12335	6.2
199.13329	0.6
202.00954	0.5
211.13412	0.5
217.29953	0.4
241.78975	0.4
268.16147	0.5
287.18695	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	347.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	5.3
57.03452	10.1
57.88873	0.8
59.01382	100.0
61.98846	4.3
66.25067	0.8
69.03458	5.2
71.05031	4.7
83.05049	2.8
85.06610	1.1
93.06164	0.8
111.08163	49.0
123.08172	3.7
125.06065	8.7
146.84895	0.8
153.09218	1.2
155.10634	0.9
157.40807	0.8
163.11258	1.5
181.12347	22.7
273.90445	0.8
287.18558	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	347.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78699	0.4
56.68097	0.4
57.03460	5.1
59.01390	100.0
61.98833	4.4
63.23362	0.5
69.03480	0.8
70.24495	0.4
71.01418	0.8
71.05046	2.1
73.02972	0.9
77.25030	0.4
83.05034	1.1
85.03002	0.6
85.06618	2.4
87.04522	28.1
92.66555	0.6
101.02453	0.7
101.06070	0.6
107.08681	2.2
109.06629	0.5
111.08187	0.9
123.08170	2.2
147.11804	0.7
165.12875	2.2
183.13922	8.1
217.14503	3.8
243.36183	0.6
253.17851	0.6
287.18668	8.1
319.49475	0.5
347.11075	0.6
347.17072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63086	0.2
54.82043	0.2
57.31646	0.2
57.74968	0.2
59.01382	8.5
59.13185	0.3
66.43668	0.3
69.03464	0.5
71.01409	0.4
71.05019	32.1
71.54685	0.3
73.02956	1.4
76.55342	0.3
81.03479	0.4
81.07099	0.5
83.05029	4.3
89.02497	0.3
92.65923	0.3
97.56819	0.3
99.08156	5.9
113.39494	0.3
116.45811	0.3
124.01733	0.3
125.06085	9.4
143.07143	100.0
144.07463	0.5
215.09273	0.4
265.25754	0.3
287.18692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03462	1.4
58.00620	1.1
59.01393	100.0
61.98834	1.5
65.28677	0.6
65.29057	0.7
71.01389	36.1
72.99335	0.8
73.02963	4.3
83.01403	2.5
85.02954	9.7
89.02445	40.1
95.01376	2.8
101.02445	16.8
113.02448	14.4
119.03510	14.2
123.08159	0.9
131.03510	1.5
143.03505	1.5
149.04544	1.2
161.04507	1.0
167.10776	7.6
179.05644	5.0
183.80647	0.6
190.53372	0.7
206.31885	0.8
264.91226	0.8
287.18637	9.4
347.17261	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	347.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05188	0.6
57.03473	3.7
59.01390	100.0
60.31265	0.5
69.03468	1.1
69.14890	0.5
71.01382	1.2
71.05027	5.8
73.02977	1.3
78.73574	0.6
81.03486	0.9
83.05045	5.1
84.77734	0.6
85.02941	4.5
87.04515	10.9
92.10120	2.2
97.06621	0.8
99.04507	2.8
101.06107	2.9
105.07101	0.7
107.05070	0.7
109.06628	1.4
115.07677	1.0
123.08159	24.3
125.06090	2.9
127.07637	6.5
139.07700	1.2
141.09227	5.9
153.09283	0.8
154.72583	0.6
159.10275	22.5
164.06561	0.7
193.12363	3.4
217.02090	0.7
229.14478	6.8
287.18674	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	346.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44333	1.0
52.20008	0.9
53.55752	0.9
55.01895	1.0
59.01384	42.8
61.98841	1.1
71.01383	17.8
73.02937	10.3
75.16007	1.1
79.39917	1.1
82.01102	1.1
83.01402	7.6
84.04562	6.0
85.02957	5.8
89.02440	5.7
92.10126	1.5
94.02985	1.7
95.01388	1.7
96.95988	1.6
97.01675	4.4
101.02441	4.8
101.28363	1.2
110.02496	8.0
112.04050	79.7
113.02447	10.5
122.06126	6.2
124.04033	63.7
136.68625	1.1
140.07196	16.9
164.07170	1.7
166.05098	89.2
168.89017	2.5
180.06642	2.4
184.06152	100.0
198.07657	1.7
208.06168	8.2
226.07201	26.3
235.91174	1.1
242.72330	1.2
247.49969	1.3
256.08295	2.0
268.85870	1.1
286.09335	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	346.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82803	0.7
55.01894	3.6
56.69543	0.8
57.03472	0.6
59.01385	100.0
60.01720	14.4
61.98837	3.3
72.67574	0.6
77.10818	0.6
78.43501	0.5
81.03459	0.7
82.03790	0.9
83.05035	6.2
84.05353	3.0
86.04049	0.6
99.04534	1.3
100.04832	0.6
121.06609	1.4
122.06941	3.5
123.08135	4.8
124.08469	4.0
150.53728	0.7
161.30537	0.6
174.35625	0.7
224.34892	0.7
337.55164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71988	3.3
59.01394	100.0
61.98860	30.1
71.01407	5.7
90.53855	3.8
97.01170	35.4
112.74168	4.1
116.92859	7.5
180.60428	4.4
263.26752	5.2
287.18729	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	347.135
Annotation	3,4-Dihydroaucubin
Peak:m/z	Relative Intensity
53.95748	0.5
54.82936	0.8
57.03445	1.1
58.27841	0.5
59.01384	20.9
59.01656	1.1
61.92793	0.6
65.67399	0.6
69.03466	1.1
71.01395	3.0
72.99304	36.3
73.02948	1.2
74.16111	0.7
78.95908	2.6
79.95789	0.6
81.03458	1.3
83.01325	0.8
85.02968	4.1
87.00900	1.1
88.46827	0.7
89.02394	0.8
93.03466	1.6
95.05038	1.1
96.11327	0.7
96.96005	100.0
96.96999	3.1
97.02932	0.8
99.00879	1.1
99.04530	1.0
101.02470	1.3
104.92817	0.8
107.05039	1.2
109.02944	1.7
111.00912	1.2
111.04531	1.7
113.02430	1.1
115.04018	1.6
119.05000	1.0
120.04021	0.8
121.06582	1.3
123.04524	9.0
125.02441	6.7
125.06065	0.7
129.05557	1.6
133.06627	0.7
135.08127	1.0
137.02420	0.8
137.06071	2.6
149.06078	3.3
150.03250	1.5
155.03493	1.0
159.08167	1.7
161.06084	0.9
161.09743	1.1
165.05571	4.7
167.03543	3.3
168.89017	13.6
171.08197	1.1
173.04556	3.0
173.09741	1.0
175.07697	0.8
177.09209	4.6
183.08165	2.8
189.09201	1.6
191.10808	1.7
201.09238	4.7
207.10330	1.0
209.08171	1.4
210.80505	0.7
219.10345	0.9
248.84702	6.1
254.52161	0.7
281.10471	0.8
299.11459	2.8
317.12695	1.3
329.12415	11.5
347.13541	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76702	0.5
57.03491	0.7
57.72390	0.6
59.01386	100.0
63.97796	0.6
68.35893	0.6
71.01377	0.6
73.02947	9.5
76.57807	0.7
83.05051	4.2
92.10223	0.8
109.06663	0.9
139.07658	0.7
225.73845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87218	0.6
55.71112	0.6
59.01383	100.0
59.10898	0.6
61.42588	0.6
84.06656	0.7
85.02956	15.8
85.06596	1.2
87.43552	0.7
92.65590	0.6
95.70796	0.7
109.06625	0.7
115.07664	1.1
137.09752	2.7
139.11299	1.6
153.12881	1.6
159.08234	0.7
169.12312	1.6
181.12346	3.0
345.17459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47621	0.2
51.58090	0.1
52.47601	0.2
58.86173	0.1
59.01381	24.5
60.01706	2.6
61.01810	0.2
61.08856	0.2
61.39436	0.1
61.98831	100.0
126.99340	0.2
147.12419	0.2
157.03621	0.3
158.03612	0.4
159.01454	0.2
159.03371	0.4
160.01579	0.3
161.01216	0.4
201.02536	2.3
202.02711	6.7
203.02281	6.1
204.00003	29.3
204.02686	2.0
329.42288	0.2
334.70496	0.2
346.00894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77129	0.2
51.63762	0.3
55.78215	0.2
57.84338	0.2
59.01385	19.0
60.01718	1.7
61.01794	0.3
61.98835	100.0
65.88539	0.2
73.02956	0.4
76.15280	0.3
77.30432	0.3
121.02972	0.5
147.42076	0.3
158.81268	0.3
187.89400	0.3
266.48016	0.4
285.17123	1.3
286.17459	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	346.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44987	0.9
59.01385	34.6
59.30831	1.0
61.64440	1.3
63.65799	1.0
71.01372	15.6
72.96378	1.5
73.02956	6.2
83.01398	4.7
84.04556	2.6
85.02966	2.7
89.02485	1.3
94.02995	1.9
95.05032	3.0
96.96000	1.6
97.01717	2.6
101.02464	2.6
110.02488	5.0
112.04050	77.1
113.02454	7.2
122.06120	7.3
124.03185	2.3
124.04041	46.4
126.05611	2.4
129.58157	1.2
140.07152	11.9
154.05098	8.4
166.05096	100.0
176.58965	1.2
182.08224	19.8
184.06155	67.2
184.07788	2.4
208.06171	5.5
226.07196	19.2
240.70222	1.3
256.08316	1.4
286.09381	1.6
346.11502	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	345.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93797	0.4
57.23687	0.5
59.01384	100.0
63.16352	0.5
79.46806	0.5
82.13512	0.5
93.65851	0.6
128.41792	0.5
162.51834	0.5
168.90962	0.5
260.00885	0.5
273.20435	0.5
350.65546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57724	0.2
59.01386	100.0
65.58817	0.4
71.01396	0.4
72.76923	0.3
73.02945	2.6
73.92164	0.3
74.20480	0.3
74.22259	0.3
81.03485	0.6
83.05027	5.6
87.04516	2.1
97.06562	0.6
99.04492	0.6
107.10887	0.3
109.06557	0.4
111.40170	0.3
123.08127	0.4
158.71870	0.4
285.17114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06397	0.5
59.01386	100.0
67.93095	0.6
73.02953	1.4
83.05023	11.3
87.04518	1.3
92.10151	0.7
116.35302	0.5
129.90427	0.6
161.31139	0.6
208.47150	0.6
214.12491	0.7
336.45422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92661	0.5
55.24534	0.5
56.74835	0.5
57.02649	0.5
59.01382	100.0
59.73260	0.6
61.04831	0.4
69.72476	0.5
71.01392	0.6
73.02941	9.5
83.05023	8.0
92.57040	0.6
110.58001	0.5
114.40339	0.7
152.16789	0.6
186.90790	0.5
276.86722	0.5
292.55106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82701	0.4
55.80364	0.4
57.03454	0.8
59.01386	100.0
71.51360	0.5
72.63068	0.4
75.00880	0.7
75.36731	0.5
110.11262	0.4
111.08157	0.6
137.09776	0.8
169.20784	0.5
191.14413	2.7
219.13927	0.6
235.36736	0.5
281.99695	0.4
308.96298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99336	0.4
52.18842	0.4
55.02274	0.4
57.03479	0.5
57.45771	0.4
57.55581	0.4
59.01390	100.0
69.03434	0.5
71.01402	0.9
73.02945	4.4
73.94839	0.5
81.03477	1.9
83.05047	2.8
84.80759	0.4
87.04556	0.5
97.06587	1.2
97.45326	0.5
99.04523	1.2
106.40190	0.5
116.86533	0.5
117.27979	0.6
163.11240	2.0
184.43695	0.5
187.57127	0.5
285.17276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36455	0.5
57.03447	2.7
59.01385	100.0
64.19582	0.5
71.05032	0.5
73.50648	0.4
74.75968	0.6
81.03468	2.6
83.05030	0.9
92.10060	0.6
95.05039	0.8
99.04546	3.9
121.06639	1.0
141.39914	0.5
182.46436	0.6
240.28847	0.5
254.81876	0.5
285.17014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55388	0.4
59.01384	100.0
59.25932	0.4
62.78662	0.4
63.84043	0.3
70.10303	0.4
73.74662	0.4
83.05028	10.6
99.54259	0.5
111.08135	0.4
121.06576	0.7
121.79721	0.5
125.05073	0.4
323.01535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85353	0.4
54.79124	0.4
55.63630	0.3
56.78658	0.5
57.03441	0.8
58.00595	0.6
59.01385	100.0
59.80165	0.4
67.50669	0.4
69.03403	0.5
71.01382	0.7
72.72179	0.5
85.02946	17.6
85.06583	0.9
95.05028	0.6
99.04498	0.6
111.08180	0.8
115.07608	1.0
137.09717	1.1
139.07628	1.1
139.11313	1.1
146.05206	0.4
151.11299	0.7
153.12854	2.4
169.12318	1.8
177.12923	1.1
181.12260	3.7
207.13980	0.7
234.34090	0.5
236.85295	0.4
252.05600	0.5
309.39191	0.5
344.35620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00939	1.0
55.50941	1.0
56.72269	1.1
57.03458	16.0
59.01385	77.8
73.42756	1.2
75.00863	2.3
80.02681	1.8
83.05049	7.4
91.72677	1.1
93.03487	6.3
95.05024	100.0
107.05129	1.5
118.44473	1.4
121.02911	9.8
125.09721	1.5
135.08173	2.1
139.04037	2.9
147.04532	93.3
153.09222	8.4
197.08211	75.6
213.09239	7.1
240.23581	1.3
254.54480	1.4
275.05017	1.3
278.07855	1.5
283.12204	1.7
345.13330	1.8
359.45148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98042	0.4
57.03451	5.1
59.01390	19.0
60.00553	0.6
69.03461	11.0
71.05043	1.3
72.26781	0.7
73.53287	0.6
80.02704	3.1
83.05045	2.9
93.03471	3.3
95.05035	100.0
100.93364	0.7
103.05529	0.8
120.05835	1.1
133.06593	2.6
135.08163	8.0
141.85880	0.8
147.04541	63.1
153.09221	1.2
180.32649	0.7
197.08221	29.1
214.84846	0.6
225.99919	0.7
236.81477	0.7
326.55951	0.8
345.13403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1712
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
54.82729	1.8
57.03452	3.3
59.01386	100.0
63.91172	1.5
69.03466	2.1
71.05016	2.8
81.03456	7.2
83.05033	3.1
89.97778	1.5
95.05038	3.4
107.05045	2.8
108.02113	2.3
109.02977	3.3
109.06561	3.1
121.02979	2.4
121.06606	4.0
123.08161	13.9
125.06081	2.2
133.06581	2.2
146.42787	1.6
147.08224	1.7
149.09711	9.5
150.03276	2.1
151.07666	12.6
153.09258	2.7
167.07172	2.7
175.07645	1.9
177.09184	4.4
193.08708	2.7
243.52266	2.1
258.62241	2.3
283.17007	4.1
288.93533	2.1
301.18124	16.0
327.16599	2.4
345.17175	22.6
351.47647	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	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88054	0.6
52.52595	0.7
59.01381	100.0
81.23506	0.8
92.64064	0.8
139.89621	0.8
142.17862	0.8
167.95584	0.8
177.90331	0.9
360.81717	1.2
361.57568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.33917	0.3
64.99104	0.3
72.91005	0.3
72.94075	0.3
77.60025	0.3
197.91708	0.4
231.62476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09998	0.6
57.03444	1.2
59.01386	100.0
69.03423	1.0
71.01395	1.6
71.92078	0.7
72.99332	0.7
73.02956	1.0
75.00864	0.8
83.05075	1.0
85.02969	1.0
90.39307	0.8
95.05013	1.0
109.06590	1.3
283.15463	3.1
283.18866	0.9
347.92764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19306	4.9
53.70567	5.3
54.83398	4.7
59.01389	48.6
64.35223	6.7
71.01388	9.8
92.10770	15.0
137.06088	100.0
141.93669	5.9
161.04523	7.8
189.64986	6.4
244.82272	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	341.3065
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
55.53539	1.1
59.01378	5.4
59.47665	0.9
70.98422	1.2
92.29575	1.1
116.92937	1.3
135.97169	1.2
164.54576	1.1
200.61044	1.4
293.16763	1.3
295.30133	4.7
341.30643	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	341.3064
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
51.67949	1.8
51.87091	1.4
59.01403	2.1
71.05015	24.2
76.58459	1.5
92.10738	3.3
121.40266	1.6
147.76631	1.7
175.08060	1.8
189.10829	1.6
267.27026	4.2
281.28522	35.0
318.88162	2.2
323.29459	13.2
341.30676	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	342.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96583	0.4
57.97434	0.4
59.01386	100.0
61.98822	0.5
64.70032	0.4
76.58165	0.5
100.04950	0.6
344.50705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43767	0.7
52.12745	0.6
54.94895	0.8
59.01384	100.0
69.34337	0.7
73.21327	0.7
92.10813	1.5
99.96455	0.8
100.02474	0.6
148.74492	0.7
161.56442	0.7
179.38913	0.8
239.86525	0.8
313.42447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03450	12.6
57.98885	1.0
59.01378	6.9
60.40971	0.8
61.98828	13.7
63.44559	0.9
71.95562	0.9
72.99306	1.7
73.02968	1.2
79.05561	1.2
80.27031	1.1
81.03471	4.7
83.05027	2.5
85.02966	2.1
87.00875	2.0
91.05500	1.3
93.03452	2.0
96.95985	7.7
101.02437	6.8
107.05041	2.3
109.02943	1.6
109.06580	1.2
111.04473	1.5
119.05040	2.2
119.08640	1.2
120.85992	0.9
121.02932	1.5
121.06590	1.6
123.04522	1.9
125.02431	4.4
125.06071	2.2
137.06087	8.5
139.04002	2.5
143.03542	1.4
143.08650	10.3
145.01443	2.4
147.04533	2.5
147.08130	4.2
149.06065	7.4
152.89464	1.2
159.08202	1.8
161.06070	1.5
161.09709	14.6
165.05492	1.1
167.07092	2.2
171.08080	8.0
173.06087	1.8
173.09689	1.8
177.05577	2.0
179.07019	1.1
179.10750	2.3
189.09254	8.3
191.07129	1.5
191.10748	4.1
201.09149	2.1
215.07187	1.1
233.08022	1.4
263.09265	7.8
281.10361	4.3
343.10342	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	343.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71186	1.1
57.03469	2.1
59.01383	58.8
60.84538	1.5
68.48962	1.8
69.03448	1.6
71.01383	10.2
73.02949	6.6
74.25052	1.7
76.57118	1.4
78.91899	3.4
81.03452	2.8
83.01385	1.8
85.02969	6.7
87.00874	1.7
95.01382	5.8
99.00792	1.8
108.02180	1.7
111.00893	3.1
113.02499	2.0
122.03738	25.3
122.67577	1.7
123.00896	52.8
127.00356	3.2
135.04509	9.4
136.98827	1.6
137.02443	9.3
137.06047	6.7
138.03230	52.5
141.01947	1.5
153.01848	2.0
153.05580	30.7
161.04613	2.1
165.01889	2.1
166.99829	13.3
176.85277	1.4
179.03477	3.0
182.02216	47.3
185.71930	1.7
188.04988	1.5
197.04565	100.0
235.13332	3.7
283.15594	2.7
343.10358	11.9
343.13992	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	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45062	0.4
54.83318	0.4
59.01385	100.0
71.01389	3.3
84.01508	0.5
85.02985	0.6
89.02452	3.6
98.05280	0.4
101.02435	0.8
113.02414	0.6
115.18164	0.4
119.03500	0.8
121.02946	0.9
230.42232	0.5
235.13367	0.5
269.20270	0.5
283.15683	0.9
295.14111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01894	7.9
57.03465	7.4
59.01386	97.3
69.44577	1.8
71.01382	37.6
71.01717	2.2
72.99299	2.8
73.02948	17.7
77.19482	1.7
81.03410	1.9
83.01395	15.6
83.05071	1.8
85.02953	26.8
87.00900	7.7
89.02458	4.3
95.01416	3.8
95.84752	1.8
97.18643	1.7
99.00874	4.6
101.02446	35.0
109.02988	3.3
113.02470	10.7
116.94085	1.7
118.51298	1.7
121.02965	22.8
122.03778	8.4
125.66589	2.0
131.03534	4.1
135.04550	4.7
136.05304	56.9
137.06088	4.7
149.06094	2.4
166.06366	69.0
167.07120	4.4
180.04297	54.4
181.05078	9.9
181.08719	56.2
221.06668	8.0
246.10327	1.9
255.10347	10.2
343.10269	31.2
343.14078	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	341.1387
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
54.23798	1.0
59.01385	2.4
91.05547	1.1
145.02934	2.4
196.05301	1.2
210.06920	1.2
224.04813	7.2
224.08540	1.2
225.09254	2.2
227.10767	1.5
238.06435	10.4
239.10802	2.2
241.08710	2.5
251.07341	1.4
252.04259	1.4
253.08720	1.4
254.09285	1.7
255.10266	12.2
266.05859	4.4
267.10355	2.0
269.11880	2.2
270.05252	1.3
270.12704	2.2
282.08984	1.5
283.09793	54.2
294.08966	2.4
295.09851	4.7
296.10580	5.2
298.12195	2.4
309.11432	1.5
311.09314	100.0
312.09424	1.4
325.10941	9.1
326.11676	53.5
341.13995	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55589	0.7
55.01892	3.6
57.03455	4.0
59.01386	100.0
69.03455	1.2
71.01379	50.1
72.99300	8.4
73.01185	0.9
73.02944	28.6
75.00893	2.2
79.95747	1.0
83.01405	5.0
85.02953	16.8
87.00883	6.9
87.04526	1.3
89.02442	31.0
95.01404	4.1
96.96011	44.4
97.02953	1.3
99.00854	6.9
101.02438	35.0
107.04984	1.3
109.02953	1.0
113.02466	18.9
117.01943	25.3
119.03466	8.9
119.07142	6.1
121.03292	4.1
123.00889	1.0
123.04459	1.0
125.02405	9.8
131.03485	1.1
133.05049	6.1
135.02974	4.0
137.02414	1.7
138.52010	1.0
139.04050	1.2
143.03490	1.7
148.47520	1.0
149.04500	1.1
159.03006	1.8
161.04572	18.2
167.03500	1.7
179.03412	1.2
179.05650	5.9
205.08647	1.1
226.30373	1.1
253.83022	0.9
281.12439	67.6
305.06769	9.1
338.69949	0.9
341.08353	9.4
358.52713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70736	0.7
54.37313	0.7
59.01386	100.0
69.98891	0.8
72.06729	0.7
72.83592	0.7
97.87440	0.6
146.90231	0.8
179.14455	1.0
223.40346	0.7
245.92126	0.8
341.23651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01383	100.0
61.98856	0.4
63.46346	0.4
66.41824	0.4
71.01386	0.4
73.02950	0.5
78.76331	0.4
85.02927	0.5
164.27852	0.5
179.14371	0.6
179.33185	0.4
191.14508	0.7
200.74298	0.4
205.14893	0.4
211.81856	0.5
259.32239	0.5
267.59933	0.5
363.81375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38101	0.1
59.01385	100.0
62.78577	0.2
73.02953	0.2
73.53934	0.1
89.02486	0.2
92.10886	0.2
130.09412	0.2
167.10796	1.2
205.12401	0.2
219.13980	0.2
271.00394	0.2
276.77588	0.2
312.06595	0.2
339.63910	0.2
341.06827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55101	0.4
57.98336	0.4
59.01390	100.0
73.02954	2.1
87.00867	0.4
91.35747	0.4
92.10720	0.5
92.41750	0.5
125.55871	0.4
129.94382	0.4
179.14301	0.5
235.13409	0.6
267.73651	0.5
334.70297	0.5
342.65698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.99522	0.7
59.01384	100.0
61.40020	0.7
64.33372	0.7
68.20057	0.6
70.01100	0.7
71.01382	1.8
82.24135	0.7
88.95004	0.7
89.02441	1.0
90.88625	0.7
142.06784	0.8
171.10332	1.3
200.69522	0.8
253.17923	0.9
281.17484	1.6
326.11533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89788	0.2
57.03466	0.3
58.61837	0.2
59.01385	100.0
65.97724	0.2
66.31805	0.2
71.01372	0.4
85.02962	0.3
89.02464	0.3
92.10777	0.3
93.84879	0.3
102.41870	0.3
102.72778	0.3
135.25046	0.3
147.81789	0.4
253.16269	4.6
280.01746	0.3
289.78702	0.3
320.20898	0.3
328.93805	0.4
341.17844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.27
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
51.48508	0.5
53.72898	0.5
55.48514	0.6
57.84012	0.7
58.84107	0.5
59.01390	3.0
94.68822	0.7
180.73611	0.8
277.25198	1.2
279.26965	87.3
280.27109	1.1
297.28076	1.8
323.25998	24.9
341.20346	3.4
341.27014	100.0
342.27213	1.6
357.17111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03447	3.0
58.00599	2.6
59.01386	100.0
71.01382	56.9
72.99324	1.3
73.02961	3.0
76.79961	0.5
83.01405	3.1
85.02950	15.0
85.64459	0.5
87.00884	8.3
89.02443	60.8
91.83762	0.5
95.01374	4.5
97.02969	2.3
99.00895	1.4
101.02444	27.9
101.03088	1.2
104.82987	0.6
113.02457	17.9
119.03504	15.7
121.82401	0.6
125.02460	2.7
127.18218	0.6
131.03519	3.5
141.50940	0.5
143.03496	3.4
143.84183	0.5
149.04614	2.6
161.04567	14.1
165.49716	0.6
179.05637	25.0
180.67137	0.6
191.05661	3.5
208.20844	0.7
341.10965	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75409	0.9
54.83364	0.7
55.01908	1.1
57.03459	1.0
58.00623	1.5
59.01393	54.3
71.01389	34.8
71.01771	1.2
72.99316	2.2
73.01180	1.0
73.02952	8.8
75.00893	7.4
76.58709	1.0
83.01409	1.2
85.02960	7.7
87.00865	6.0
89.02443	46.7
93.03441	1.4
101.02456	10.6
102.29293	0.8
103.04031	2.1
113.02441	9.3
115.00400	1.2
117.01987	1.3
119.03490	9.2
131.03516	11.1
133.01413	2.1
135.02974	8.7
136.56189	0.8
140.51889	0.9
141.37344	0.9
148.30057	0.9
149.04564	100.0
161.04564	4.1
179.05612	8.9
185.54584	0.9
191.05627	20.1
272.13602	0.9
341.10773	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01382	4.1
59.21437	0.3
59.90231	0.3
72.50375	0.3
72.65882	0.4
92.10831	0.9
98.21000	0.4
130.26465	0.3
163.04054	0.8
164.04799	100.0
179.07141	56.2
195.05231	0.4
341.12421	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	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
59.01387	4.4
70.97418	0.2
83.51029	0.2
92.94506	0.2
137.02432	1.1
163.03998	2.3
164.04803	100.0
165.05141	0.5
179.07147	56.1
184.22029	0.2
214.58217	0.2
218.25688	0.2
272.26761	0.2
301.02209	0.3
341.12387	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	341.1246
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
50.19444	0.9
51.02406	0.8
55.52959	1.2
57.03465	6.1
58.00599	1.6
59.01384	100.0
59.77148	0.9
61.13253	0.9
71.01381	48.7
72.66288	1.0
72.99313	4.5
73.02923	1.2
73.54724	1.0
75.00887	1.0
75.47110	1.0
85.02947	9.6
87.00878	1.9
89.02439	54.7
94.91060	1.0
95.01396	2.2
96.96022	1.6
99.53579	1.0
101.02454	17.6
109.02932	2.1
113.02450	18.1
119.03506	18.9
119.05024	1.5
121.02957	9.0
134.71089	1.4
135.04480	2.2
137.32944	1.2
140.10132	1.1
147.04590	2.0
161.04500	4.7
163.04060	12.0
164.04773	7.2
178.06371	5.4
179.05600	8.9
179.07144	26.5
253.08807	1.3
260.45450	1.2
270.50989	1.1
341.12283	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43908	0.3
58.72480	0.4
59.01390	8.7
71.01385	3.4
75.00887	0.5
85.02986	0.6
89.02443	3.4
92.10150	0.5
95.01418	0.4
101.02463	0.8
106.43298	0.4
106.76350	0.4
113.02439	0.8
119.03519	0.5
119.05029	1.9
132.02206	2.9
133.02957	35.1
134.03690	0.5
135.04527	8.0
149.06113	0.6
161.02452	100.0
162.02798	0.5
163.04041	1.8
177.05548	0.8
179.03508	10.6
195.05142	0.7
203.03604	1.9
221.04628	0.7
281.06726	0.9
314.18994	0.4
341.08786	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	341.0883
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.81560	0.2
59.01395	0.3
92.10735	0.4
107.05046	0.7
114.71259	0.3
133.02968	0.4
134.03773	2.7
135.04532	100.0
136.04845	0.4
162.57129	0.3
178.02754	0.4
179.03510	68.8
180.03780	0.5
236.51094	0.4
341.08813	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54849	0.3
52.35381	0.3
56.38093	0.3
59.01382	9.1
60.51184	0.3
71.01373	4.0
84.16260	0.3
84.56326	0.4
85.02953	0.8
89.02454	2.7
96.43162	0.4
98.66131	0.3
101.02449	0.5
113.02485	0.8
119.03519	0.7
119.05042	0.9
129.58505	0.4
132.02191	2.0
133.02953	38.2
135.04514	8.1
149.06079	0.6
161.02446	100.0
163.04005	1.4
177.04073	0.5
177.05594	1.7
179.03506	9.6
195.05141	0.5
203.03526	1.5
221.04584	0.8
223.59775	0.5
281.06696	0.6
341.08789	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	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01384	8.9
59.98788	0.3
71.01383	4.4
85.02962	0.7
89.02442	2.2
91.09455	0.4
101.02454	1.5
105.03463	0.6
113.02464	0.5
119.03520	0.5
119.05047	1.8
132.02155	1.7
133.02960	37.9
134.03777	0.6
135.04521	9.1
149.06090	0.7
161.02449	100.0
163.04025	1.6
169.02837	0.4
175.04070	0.5
177.05513	1.5
179.03505	11.3
195.05093	0.8
203.03572	1.6
221.04587	0.5
251.10579	0.4
281.06589	1.6
341.08850	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	341.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10136	0.9
54.33263	1.0
57.03447	6.3
59.01377	4.7
62.78885	1.1
71.01367	1.2
81.03457	2.2
83.01386	5.5
87.19665	1.0
88.81001	1.2
89.02422	1.2
93.03469	1.5
95.05003	2.6
95.58788	1.1
96.96025	1.9
97.02938	2.6
99.04510	1.4
99.71614	1.0
105.53694	1.1
109.02945	14.7
111.04498	6.8
121.02972	1.6
123.00845	6.9
123.04521	2.3
124.01654	2.8
125.02429	100.0
126.82629	1.1
135.04507	1.5
137.02434	28.0
139.03998	22.9
149.06100	1.5
151.03995	2.0
161.02435	2.4
164.01129	7.4
165.01909	17.9
167.03500	21.0
175.04033	1.5
177.05548	5.6
179.03505	14.2
191.07202	2.6
201.05586	1.8
203.03418	3.9
204.04185	1.7
219.06557	10.4
221.04527	6.3
261.07632	4.4
305.06689	81.5
341.09061	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	339.158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25536	9.1
53.53628	9.1
55.55099	8.8
56.83181	8.8
57.03459	17.1
57.71140	8.7
59.01406	69.1
67.80959	9.8
76.57961	11.6
77.47380	12.9
79.52839	11.3
83.05038	100.0
97.06576	41.3
109.06528	11.6
121.06580	25.6
139.07666	12.7
156.27602	11.1
201.46806	11.4
215.34967	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	339.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	74.7
61.02608	7.9
61.16414	8.7
67.24024	8.3
80.63744	9.0
83.05029	100.0
86.08604	9.4
86.71805	9.5
92.10834	37.1
97.06602	40.8
109.06620	9.0
112.28761	10.0
121.06641	42.7
139.07713	15.6
165.95174	11.2
167.10776	15.9
179.10898	15.0
191.10770	12.3
199.34862	13.7
244.41010	9.7
280.84982	10.2
339.16000	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	339.2179
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
52.55098	0.4
57.03450	4.4
59.01378	7.4
69.03461	0.7
83.05047	0.7
86.52396	0.6
87.00909	0.7
92.10050	0.7
97.06592	15.8
106.59332	0.6
107.79731	0.6
110.31413	0.7
123.08154	8.0
125.09720	100.0
126.09991	0.9
139.11357	0.9
143.10802	0.7
167.10808	1.0
168.27824	0.6
169.08723	1.4
169.12352	4.3
187.09776	53.3
248.42062	0.9
272.12808	0.6
313.28763	0.7
339.21796	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	339.2332
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
61.99697	0.5
110.99009	0.5
119.67137	0.5
146.14922	0.6
163.11295	100.0
164.11540	0.8
185.23494	0.5
308.36542	0.6
339.23355	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67403	0.4
53.61849	0.5
56.67990	0.5
58.10621	0.6
59.01384	33.0
63.84730	0.5
63.90812	0.5
65.49433	0.5
68.02722	0.5
71.01382	21.5
71.03990	0.5
72.99310	1.3
73.01175	0.6
73.02941	7.5
75.00870	5.1
76.45755	0.5
79.40112	0.5
80.54352	0.6
83.01383	0.7
85.02957	4.2
87.00892	3.2
89.02440	37.3
96.96021	2.8
101.02442	6.7
103.04031	3.5
113.02454	3.7
116.52217	0.6
119.03505	4.9
130.99905	0.7
131.03500	10.1
133.01428	1.4
140.83313	0.6
144.04308	0.6
149.04562	100.0
159.08063	0.6
161.04575	1.0
162.77602	0.5
168.04718	0.6
179.05652	4.9
189.09158	1.1
191.05609	6.2
260.62039	0.6
341.11472	5.4
362.52664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34740	0.6
59.01384	100.0
62.81039	0.8
68.50871	0.6
69.03426	0.8
69.98607	0.6
71.01376	5.7
73.02956	5.0
83.01396	1.7
83.21004	0.7
85.02968	3.4
89.02436	1.7
90.75236	0.8
93.56670	0.7
98.45080	0.7
101.02452	5.2
103.26508	0.7
106.16475	0.7
113.02456	10.0
117.05578	84.9
118.06008	0.8
119.03505	3.9
125.38979	0.8
129.01204	0.7
130.90959	0.7
131.03506	1.2
159.06572	1.0
161.04575	1.1
162.87248	0.8
189.07680	0.9
242.04041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85537	13.1
57.35109	13.6
59.01383	73.7
71.05014	16.9
81.02139	15.3
83.05029	17.4
90.98999	17.9
97.06567	31.2
109.06619	18.7
111.08166	92.1
121.06555	17.5
125.06080	19.9
181.12302	100.0
339.11133	22.6
339.15778	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	337.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33839	1.1
55.01896	1.5
57.03462	5.5
58.00613	1.7
59.01389	35.9
67.01893	2.3
71.01384	9.2
75.89743	1.2
76.58002	1.1
78.95877	1.2
79.11127	1.2
80.02675	1.6
81.03456	1.9
82.33813	1.5
83.05003	1.8
85.02959	2.1
87.00882	1.7
89.02483	2.2
92.10104	2.5
95.05013	11.0
97.02945	1.5
98.00101	2.2
99.00889	7.5
99.04517	2.5
109.06610	1.8
121.06506	1.4
123.08155	25.4
132.98174	2.0
137.09737	5.8
139.11240	1.8
141.09230	41.8
147.37007	1.4
150.60643	1.2
165.09286	1.5
167.07146	59.5
167.10818	10.6
169.12328	6.9
174.99321	3.1
179.10783	97.7
185.06635	2.2
185.08217	37.4
191.05653	2.3
201.75371	1.4
253.03006	1.2
253.07747	1.6
263.20126	1.4
281.46237	1.3
295.08603	14.4
298.80722	1.3
337.09753	100.0
337.20282	46.4
338.09848	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	337.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	12.3
70.91470	2.6
71.19982	2.6
76.58238	3.2
80.02699	7.2
86.23402	3.0
87.04534	20.7
93.42298	3.4
98.16262	2.9
123.08152	47.4
141.09224	100.0
158.50958	2.8
166.45825	3.1
167.07149	4.2
191.05634	3.8
337.20074	11.5
352.06305	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	337.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	52.3
67.50668	12.1
69.78937	11.1
79.53613	11.8
80.63757	11.7
96.96008	100.0
117.24471	16.5
126.48425	12.7
132.17575	12.9
255.23289	98.1
279.38782	13.0
337.20572	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.239
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
54.00070	1.2
55.25805	1.4
59.01390	5.9
61.97328	1.4
96.95982	12.7
97.06598	9.2
137.09723	31.2
139.11293	100.0
149.94777	1.7
157.12355	7.8
201.11345	18.0
255.23303	13.2
318.62411	1.6
337.20425	10.5
337.23923	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	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01387	2.8
65.00336	0.6
65.03967	1.6
87.90279	0.4
91.01886	66.8
92.10149	0.8
92.65930	0.4
102.55333	0.4
103.06818	0.4
108.02158	1.7
109.02943	13.5
121.02929	1.8
123.04471	0.5
133.02968	1.0
135.00882	100.0
136.01649	0.7
137.02422	3.6
149.02438	1.0
153.01942	39.3
154.45900	0.5
161.02477	2.2
169.00743	0.4
177.01941	0.6
189.01961	0.6
279.05099	0.6
297.06094	0.5
339.07230	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	339.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
67.17245	0.7
71.01402	6.7
78.95919	1.5
87.00884	5.7
89.02435	2.2
90.88966	1.1
95.16341	1.0
96.96010	2.2
101.02449	5.1
119.05357	29.4
142.73697	1.0
147.17853	0.9
158.04881	10.3
159.05647	39.4
161.04536	1.0
173.07214	45.8
177.06697	22.7
189.06709	2.0
191.08311	11.0
201.06848	1.4
205.06209	52.6
219.07774	33.0
279.14566	6.1
283.92899	1.0
311.13199	1.0
321.10916	1.4
339.11865	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03766	0.6
54.83325	0.8
57.03464	0.8
59.01385	100.0
62.89899	0.6
63.00482	0.7
69.71389	0.7
71.01381	6.0
73.02957	5.0
73.51433	0.7
75.00868	1.1
79.40511	0.8
83.01402	2.9
85.02976	3.1
89.02457	3.5
95.01385	1.0
101.02450	6.4
109.05296	0.7
113.02453	9.9
117.05574	88.8
119.03500	3.0
153.34392	0.8
159.06628	1.1
161.04535	0.8
164.80580	0.7
189.07750	1.1
190.41641	0.7
218.03969	0.7
350.52151	0.7
353.95560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	76.0
59.46702	16.0
64.71953	14.8
65.00394	14.7
71.01398	35.8
72.27506	15.8
81.91682	16.4
82.38450	17.6
87.04568	22.0
92.10197	21.3
93.03461	28.6
93.64510	16.7
95.64137	18.1
151.00420	30.1
189.38419	17.7
191.05669	35.7
301.03571	100.0
329.82169	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	337.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68894	13.4
52.34092	13.1
57.03459	27.7
59.01393	44.1
64.34675	19.7
102.92764	17.4
111.08158	100.0
116.51146	16.4
147.58192	19.4
151.18135	17.2
155.28351	18.5
165.86862	18.4
314.89252	18.8
317.58371	19.0
337.20209	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	33.3
59.01384	21.1
61.98844	13.8
69.03461	15.1
71.05035	14.6
83.01384	3.2
83.05049	12.7
85.06594	4.6
94.01270	2.9
95.05033	20.8
99.04515	3.0
102.07940	2.8
109.06601	19.8
111.08162	100.0
123.08165	5.0
127.07643	33.3
140.11328	2.7
141.38481	3.0
151.46593	3.2
293.20996	3.4
337.20261	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	337.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42017	11.9
55.72337	10.0
57.03472	15.1
59.01402	50.4
69.03481	15.7
71.15435	11.2
73.02966	14.7
75.35007	9.6
83.05038	50.7
85.02976	17.3
90.21684	11.3
93.03464	27.7
111.04520	15.3
111.61942	11.7
119.05061	15.5
125.06016	13.2
151.00392	23.2
166.02696	61.1
173.04527	15.4
181.05067	28.6
181.27045	14.3
191.05608	100.0
207.51234	11.3
314.51917	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	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67824	0.5
54.82901	0.6
55.01896	0.6
58.24778	0.5
59.01393	100.0
67.01912	0.6
71.01382	7.2
73.02965	3.0
83.01412	0.7
85.02971	4.2
87.00852	1.0
87.19501	0.6
89.02448	5.4
93.03451	4.8
96.96035	3.4
101.02448	5.4
111.04480	0.7
113.02470	3.8
119.03547	1.3
119.05035	1.4
134.26839	0.7
137.02455	2.3
139.04066	1.1
161.04582	4.0
163.04086	1.1
173.04567	4.0
183.77165	0.6
191.05595	5.0
201.21570	0.7
251.44531	0.7
277.12958	12.8
299.07785	3.1
331.63950	0.8
337.15085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45092	0.5
59.01389	2.6
60.53157	0.6
71.86874	0.6
96.96007	12.4
100.64400	0.6
127.23225	0.6
134.96103	10.2
136.94017	100.0
137.94138	0.7
151.92708	6.4
152.91774	33.5
167.40202	0.6
167.90393	4.5
170.92796	0.7
178.95074	85.7
179.95238	0.7
194.92824	35.7
196.96152	1.0
210.90837	1.4
212.93881	7.5
225.90482	1.1
226.40541	1.0
237.17973	0.7
247.87163	13.1
248.37224	11.2
248.87042	3.9
252.91736	4.3
274.88757	9.0
287.82120	0.9
287.85019	19.3
288.35092	10.7
288.84933	3.2
292.95047	1.5
294.92941	14.7
336.94028	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	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.62880	0.5
59.01381	2.9
60.51842	0.6
74.26852	0.7
74.56248	0.5
81.03441	0.8
83.05021	0.8
85.02961	3.5
86.00606	0.6
86.17358	0.6
87.00834	0.7
93.03439	4.6
96.96017	1.2
103.44576	0.6
111.04501	4.0
119.05004	81.3
150.66992	0.7
155.03461	3.5
163.03989	100.0
173.04539	4.6
191.05591	24.4
217.48479	0.6
229.63954	0.7
337.09354	5.2
337.15045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
56.68098	0.4
59.01401	0.9
59.43063	0.4
60.99315	0.9
63.36570	0.4
67.01903	6.1
69.03470	2.4
71.01411	1.7
81.03480	0.9
83.05050	0.7
85.02965	8.1
87.00883	10.7
88.03250	0.4
93.03465	37.5
98.14692	0.5
99.04554	0.6
109.02953	0.8
111.04504	5.0
113.02391	0.5
117.03456	0.5
119.05022	18.7
127.04002	2.1
129.01944	0.9
135.42339	0.5
137.02455	0.7
145.02954	0.9
155.03462	0.7
157.61617	0.5
163.03998	10.5
173.04555	14.5
191.05638	100.0
192.06032	0.8
337.09250	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78011	0.7
54.82751	0.9
59.01394	3.4
60.99359	0.7
64.34603	0.9
64.77853	0.8
67.01896	6.4
71.01396	5.5
83.05083	1.0
83.60109	0.9
85.02951	1.6
87.00872	1.7
92.10793	1.6
93.03453	47.9
95.96349	0.8
109.03012	1.0
111.04528	6.6
119.05018	26.1
137.02455	5.4
149.78790	0.8
150.08086	0.8
155.03520	6.0
163.04028	21.3
173.04564	100.0
191.05634	14.5
211.07713	1.2
223.66354	0.9
295.42819	1.0
337.09317	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	337.0933
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01385	22.2
61.68408	0.9
65.63425	1.0
71.01374	8.9
73.01190	2.0
73.02955	11.1
81.03468	2.0
83.05040	5.3
85.02944	7.2
89.02470	1.7
90.78301	1.1
92.10189	1.3
93.03452	33.0
95.24207	0.9
96.96002	4.7
97.06586	1.6
99.04538	1.0
101.02457	2.3
106.04259	1.5
107.05022	2.0
109.02924	4.7
111.04509	5.9
115.04047	1.9
117.03399	1.2
119.04227	1.8
119.05029	32.0
133.06609	1.4
137.02438	5.7
143.07098	1.4
145.06622	1.6
154.90450	1.1
155.03496	1.9
161.06104	0.9
163.04059	10.0
169.06628	1.6
171.08025	2.0
173.04523	1.4
185.06017	1.1
187.07608	2.5
189.09161	4.9
193.06609	1.8
195.08113	2.2
211.07654	3.9
213.09189	6.4
223.16156	1.2
229.08803	1.2
250.86894	1.1
277.09207	4.4
293.10483	8.7
319.08325	1.3
337.09323	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	335.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52965	0.3
59.01389	1.9
61.98848	0.6
77.83102	0.4
128.30847	0.4
128.51732	0.5
129.61429	0.3
137.56900	0.4
158.11475	0.4
165.28000	0.4
166.46776	0.5
167.10783	100.0
168.11046	0.5
193.16090	0.6
203.08519	0.5
215.10823	0.5
230.49045	0.4
237.14784	0.4
335.18637	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	336.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.4
62.50180	0.6
71.01395	7.7
71.40135	0.6
72.99313	3.9
75.00871	6.0
85.02962	1.3
87.00854	0.8
89.02444	6.9
92.10171	1.5
116.05071	12.3
122.98416	0.6
128.05083	2.6
130.06624	3.3
134.15892	0.7
135.04546	1.1
136.04808	1.3
142.06633	100.0
158.06116	20.2
180.03842	1.3
186.05630	35.2
191.05606	4.9
204.06674	57.2
207.74121	0.8
284.50232	0.7
336.10956	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40107	0.3
56.16539	0.4
57.03443	0.9
61.98833	100.0
65.37138	0.4
84.00912	3.3
86.46910	0.4
101.98106	0.6
112.37331	0.4
114.39317	0.5
122.30534	0.4
124.38087	0.4
187.91780	0.4
191.14331	1.0
193.77673	0.5
201.64978	0.4
207.17574	3.9
212.70744	0.5
213.66231	0.4
233.15410	1.9
276.12228	0.7
318.13071	0.8
336.14438	7.6
345.57175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid
Peak:m/z	Relative Intensity
57.03471	2.6
58.87026	2.0
59.01389	12.9
69.03473	4.0
71.05009	3.7
74.76859	2.3
81.03466	2.4
83.05043	5.3
99.08173	5.4
103.60215	2.4
109.06580	4.8
112.05306	5.0
134.65315	2.5
163.13031	3.2
193.16045	3.2
209.19145	32.4
233.19072	2.8
253.18170	22.2
257.15216	2.9
273.22287	51.6
276.20859	4.3
291.23279	63.8
335.18530	8.9
335.22293	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	335.2233
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
54.51797	1.5
55.01889	1.6
59.01390	7.4
60.16787	1.8
61.98857	1.7
64.71168	1.5
66.74931	2.0
70.99472	1.7
81.03455	2.2
83.01408	2.4
83.05029	2.3
84.02175	20.0
85.06614	4.3
87.04538	1.7
95.05016	2.3
96.31306	1.7
99.08154	2.7
109.06602	2.8
111.04594	1.8
119.75822	2.3
124.59170	2.1
125.06075	4.1
127.07664	51.7
137.09749	2.6
165.09285	2.0
165.12953	2.9
169.12415	2.3
191.14449	2.5
207.14015	2.9
209.15497	9.3
247.16997	14.1
268.15408	1.8
289.22089	2.4
317.21271	30.3
335.22348	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	335.2233
Annotation	2beta-Hydroxy-2alpha-colensenoic acid
Peak:m/z	Relative Intensity
54.27650	2.7
57.03467	14.0
61.27066	2.7
71.01400	3.6
84.02185	6.9
85.02950	84.0
85.06601	17.0
87.04500	22.9
95.05038	4.5
97.06570	26.0
99.44190	3.3
113.06087	48.6
116.38560	3.1
125.06100	44.9
127.07662	18.6
142.33365	3.2
149.09752	5.8
178.91095	3.1
195.13928	100.0
195.77979	2.9
207.13953	4.7
209.15498	78.4
221.15460	22.1
237.14929	6.8
273.22180	6.5
275.10431	3.4
291.23535	11.4
335.22299	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2232
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
57.03460	3.5
59.01390	60.9
61.98851	2.1
66.46473	2.2
67.94978	2.2
68.97108	2.4
78.64676	1.9
83.05033	2.5
84.02185	5.6
85.02969	3.7
85.06596	3.7
98.03771	3.0
123.08183	4.8
126.06873	27.6
127.07625	16.6
141.09232	10.3
209.15527	2.4
248.17838	10.1
253.18068	13.9
271.20715	9.3
273.22192	5.3
275.20267	3.7
291.23309	54.1
335.22324	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	335.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01376	25.3
65.99931	1.1
68.01180	1.0
71.01369	13.1
85.02939	2.4
89.02422	14.5
107.47424	1.2
108.05119	1.4
127.11267	9.1
142.06651	2.0
155.10771	3.1
157.12323	35.9
161.02446	4.9
185.11708	2.4
203.12888	100.0
299.15018	1.8
335.12991	2.7
335.17117	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59052	0.5
55.01885	3.3
57.03450	1.0
58.91919	0.5
59.01376	19.6
59.01653	1.0
71.01373	14.6
73.02937	3.8
83.01385	3.6
85.02943	6.1
87.00887	1.5
89.02435	3.6
95.01414	1.2
99.00896	0.6
101.02420	7.1
111.00861	1.0
113.02454	1.5
114.08655	0.7
127.11300	2.6
135.94832	0.6
155.10760	3.0
172.94807	0.6
173.11804	48.1
185.11755	0.9
299.14905	0.8
317.16110	3.5
335.17117	100.0
336.17944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
73.02952	4.5
76.27345	0.4
88.25841	0.4
92.65797	0.4
96.02633	0.5
101.06082	11.7
113.06094	3.3
139.07613	0.5
141.09229	0.8
165.09213	100.0
166.09564	0.9
187.09775	28.5
273.18600	0.5
335.18747	3.0
335.22379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61183	24.0
59.01402	100.0
69.73753	24.8
80.91693	57.5
85.47536	27.9
103.40470	25.4
110.74447	28.4
136.99438	27.4
145.83681	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24467	0.9
55.01887	0.9
57.03470	0.9
58.74703	0.8
59.01385	100.0
61.47292	0.9
62.84944	0.8
66.77339	0.9
69.05481	0.9
70.20376	0.9
71.01381	35.0
73.16165	0.9
75.40409	1.0
83.01382	1.3
83.52599	1.1
85.02930	8.9
89.02445	39.4
95.01395	2.1
96.34419	1.1
101.02441	24.4
105.53266	0.9
108.89870	1.1
113.02441	14.7
113.28844	1.0
119.03495	13.8
143.03455	1.2
155.07147	4.4
173.08232	2.1
179.05646	2.0
207.45256	1.2
335.13559	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83473	0.7
59.01393	8.5
64.00739	0.9
71.01395	0.8
71.05042	0.9
84.87033	0.9
98.60664	0.9
107.13805	0.8
137.09698	3.7
147.04538	100.0
149.07979	0.9
153.12859	10.2
163.13626	1.1
179.14375	3.9
185.11803	3.3
189.16475	5.3
192.55798	1.0
205.15906	1.3
207.17563	11.6
223.16960	1.2
228.35091	0.9
245.27696	0.9
251.16554	83.9
333.16901	16.1
333.20792	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	333.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83176	0.5
57.03468	1.7
59.01397	6.2
61.61532	0.3
62.71163	0.3
71.01411	0.6
71.05031	0.7
79.72257	0.4
87.25522	0.4
97.08672	0.4
102.42248	0.4
113.09760	3.2
119.05015	0.7
139.11287	0.5
141.12880	2.8
147.04536	100.0
167.10783	0.8
185.11838	15.2
271.20285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26267	9.6
59.01383	24.7
59.71265	8.4
62.08850	8.9
65.88356	9.7
71.69473	9.4
75.07310	10.1
101.06073	100.0
107.41572	12.8
114.94908	14.3
115.32541	11.2
116.92840	20.5
137.09734	19.9
139.11276	48.0
158.93979	17.6
165.84810	9.8
231.13870	15.2
235.17010	48.5
292.28836	12.6
297.24323	51.4
333.20541	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	335.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	14.5
59.01389	100.0
61.98843	25.4
76.57752	5.7
80.91687	8.0
83.05045	29.3
86.93311	5.1
87.00864	6.4
89.96645	5.6
97.06647	6.4
104.24312	5.9
106.01678	5.8
151.11308	23.8
219.13902	7.4
253.14459	24.9
335.18619	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	332.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20060	0.2
53.86263	0.3
54.82927	0.3
56.22263	0.3
59.01385	45.5
60.01717	10.2
61.01809	15.1
61.02052	0.5
61.98833	100.0
62.02145	1.8
74.67430	0.3
83.67984	0.3
95.65858	0.3
96.61107	0.3
99.94495	0.3
215.74374	0.4
303.21658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36773	0.2
55.61783	0.2
59.01388	18.0
59.18635	0.2
60.01727	3.2
61.01818	4.5
61.98836	100.0
62.02139	0.3
75.43267	0.3
83.05040	0.3
85.51924	0.2
85.52471	0.2
90.68184	0.3
92.10068	0.5
94.57279	0.2
99.72549	0.2
111.08167	0.5
150.42607	0.3
272.19501	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	332.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72703	0.2
59.01385	3.3
60.01725	0.4
61.01819	0.4
61.98833	100.0
66.01878	0.2
74.71301	0.2
95.40232	0.3
106.59246	0.2
109.41309	0.3
111.01338	0.2
132.53740	0.3
135.44653	0.3
180.51550	0.2
192.75056	0.2
228.98776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61357	0.3
59.01382	14.5
60.01710	2.7
60.01967	0.2
61.01809	3.9
61.98833	100.0
62.02143	0.6
63.32077	0.2
66.75048	0.2
79.95719	0.3
96.96011	3.3
102.62632	0.3
125.02355	0.3
145.14539	0.3
220.45897	0.3
240.16870	0.3
242.17487	0.3
291.84406	0.3
333.13873	1.6
342.85168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07530	0.5
55.42023	0.5
59.01392	6.1
60.01744	1.1
61.01833	0.7
61.23409	0.5
61.98838	100.0
65.53464	0.6
77.53527	0.7
98.98957	0.6
100.83290	0.6
127.60541	0.8
141.29585	0.7
250.45142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.9
59.01391	15.9
61.98839	10.3
62.69423	1.3
63.02399	15.7
65.00340	17.1
67.01906	3.5
68.99841	1.5
72.70442	1.4
78.91908	2.5
78.95516	1.7
78.95911	11.9
79.95769	3.8
81.03468	12.0
83.01396	21.1
88.32835	1.5
95.01408	10.6
96.96017	16.3
107.01408	46.1
107.04988	1.6
109.02991	3.4
115.05530	1.9
123.00937	12.4
124.01649	3.1
125.02455	31.6
132.96466	1.5
133.02936	8.8
135.00888	17.2
143.05002	2.6
147.04512	2.7
151.00388	100.0
152.01158	7.6
153.01973	14.4
155.05040	2.2
157.03000	1.8
161.02507	1.8
163.00415	6.8
164.01169	3.0
169.01448	18.6
171.04460	3.3
175.03984	6.2
177.01952	6.2
178.99867	76.4
187.04086	3.3
193.05026	1.9
197.00926	5.7
197.47171	1.5
199.03954	10.8
201.01923	7.0
202.88365	1.6
205.01443	3.8
206.99319	1.9
208.00063	1.6
215.03528	3.8
219.02911	1.9
227.03523	2.9
229.01477	3.7
231.02968	2.5
243.02997	10.7
271.02524	24.1
315.01398	10.8
333.02463	3.4
333.13953	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	333.0599
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
53.28776	0.4
54.06507	0.3
54.44332	0.3
75.35609	0.3
78.95900	100.0
96.96008	0.6
96.96952	20.6
105.79787	0.4
110.69983	0.4
117.94863	0.4
150.98013	0.9
152.99596	71.9
171.00641	8.5
176.23357	0.4
223.00218	0.7
241.01212	34.8
257.37057	0.4
259.02280	2.3
286.52777	0.4
333.05963	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38875	0.4
65.31337	0.5
78.95902	100.0
96.96004	1.1
96.96959	21.3
109.06616	0.5
116.60330	0.5
150.98047	2.1
152.99606	68.4
163.01884	0.5
171.00655	8.7
235.51747	0.6
241.01244	30.7
252.92758	0.6
259.02368	1.2
333.05984	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
54.83228	1.0
59.01386	7.6
60.06069	0.8
61.98836	26.3
63.02417	5.0
65.00343	6.4
72.05287	1.0
79.57706	0.8
79.95744	9.6
83.01411	5.0
92.66885	1.0
93.03474	4.2
96.96001	9.8
107.01402	15.2
109.82737	1.0
112.85651	1.0
117.03470	3.8
124.01719	1.8
132.02177	1.4
135.00865	1.4
150.99159	1.4
151.00377	41.9
152.01166	14.3
159.04536	3.8
163.00366	1.3
165.01932	1.1
167.03537	1.4
167.05067	1.3
169.01437	2.2
178.45587	1.1
178.99840	14.0
182.03766	1.5
183.04520	14.2
195.02972	1.2
201.53671	1.0
211.04027	5.6
213.05600	4.6
227.03534	24.9
229.05174	2.3
239.03529	4.8
240.04152	3.4
241.05101	1.6
245.08479	1.0
255.03012	100.0
256.03729	13.1
257.04523	4.4
283.02512	43.8
284.03278	70.3
285.04034	13.1
315.05145	92.6
333.06348	13.5
333.13779	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	333.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83752	1.0
53.03473	1.1
57.03456	6.8
59.01384	7.1
61.98834	31.8
71.01399	2.1
78.91898	6.3
79.11453	1.4
85.03002	1.4
91.34612	1.4
102.87983	1.3
110.36384	1.4
125.06114	6.3
137.19792	1.5
192.19548	1.3
207.17519	2.4
209.15454	1.5
251.16547	100.0
333.16843	20.6
333.20465	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	28.3
61.98831	34.2
62.40019	3.6
78.91905	28.2
100.74866	3.9
117.25219	4.2
120.41597	4.1
122.77828	4.5
153.12816	5.1
205.15971	21.0
207.17581	24.0
239.16595	35.5
249.14922	6.6
251.16641	100.0
333.16843	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03492	0.3
57.35791	0.3
59.01394	2.4
61.98857	1.7
76.80749	0.3
95.05077	0.4
129.81293	0.3
165.09212	0.8
172.56560	0.3
174.32286	0.4
192.57034	0.4
195.10252	0.6
251.16548	100.0
252.16882	0.5
254.55295	0.3
333.16898	17.0
333.20874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93118	0.8
57.03458	23.6
59.01394	6.3
60.14111	0.9
64.04166	0.8
96.92726	1.1
97.06569	11.4
125.09720	6.0
137.09726	1.7
153.60785	1.1
189.16498	3.9
191.14421	8.9
207.17572	100.0
233.15483	1.5
251.16582	22.1
273.14627	10.4
275.90601	1.2
333.16943	10.0
333.20572	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	333.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.9
59.01413	1.1
69.03476	3.9
83.05036	23.1
97.04789	1.0
97.06613	2.4
99.08179	6.3
110.38695	1.0
111.08146	2.0
122.26180	1.1
125.09734	50.2
127.11328	10.6
137.09746	6.5
139.11320	6.3
148.75555	1.0
149.13992	0.9
151.11290	1.2
159.05997	1.0
165.12836	5.8
191.14394	1.8
205.15971	2.1
207.15623	2.1
207.17584	65.5
251.16556	100.0
255.22894	1.1
333.16791	1.3
333.20676	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	331.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	0.7
61.01815	2.2
61.98827	4.8
156.08180	0.3
156.90710	0.3
200.74289	0.3
249.14864	0.4
271.18994	2.1
314.41669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87655	0.3
52.98328	0.3
59.01388	100.0
63.91567	0.4
64.92301	0.3
70.00147	0.3
72.99316	2.0
73.02956	0.5
77.03568	0.4
88.05782	0.3
90.16432	0.3
96.96007	2.2
135.04509	0.4
152.91800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.34542	0.4
68.05658	0.3
71.11103	0.4
73.18295	0.4
149.33397	0.4
167.59335	0.4
178.40521	0.5
234.24171	0.4
271.15448	0.5
271.18948	0.5
325.77133	0.5
326.85556	0.4
331.13953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.52883	0.3
71.01369	0.5
73.02956	0.5
85.02960	0.4
99.04542	0.3
101.02426	0.6
102.35736	0.4
103.29181	0.3
106.76978	0.4
134.21823	0.3
271.19064	1.3
331.13712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30790	0.3
59.01384	100.0
60.01692	0.4
71.01390	3.3
85.02959	0.7
85.06598	0.7
89.02448	2.2
96.96004	0.4
101.02441	1.8
113.02470	0.6
119.03506	0.7
126.60308	0.4
131.07147	6.5
153.66405	0.4
169.01427	0.4
191.05661	0.6
253.37523	0.5
293.12485	13.5
295.12808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68083	0.4
54.82828	0.4
57.97550	0.7
59.01383	100.0
74.02932	0.4
92.10156	0.8
96.96014	2.0
116.81036	0.5
152.91699	0.8
153.86835	0.4
157.83846	0.5
162.48125	0.5
234.02061	0.4
257.37509	0.5
271.15717	0.5
293.12439	0.7
331.14023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02300	0.3
55.33322	0.3
57.03444	0.4
57.24398	0.3
59.01385	100.0
61.98830	0.4
69.03465	0.5
69.17088	0.3
69.38721	0.3
71.01400	0.4
71.05008	0.3
72.99311	0.5
73.02935	0.5
74.58525	0.3
76.58526	0.3
83.05026	0.4
85.02953	0.3
87.00844	0.4
91.43846	0.3
99.04507	0.8
136.05231	0.4
136.54239	0.4
153.09233	0.4
167.06107	1.3
169.08708	0.4
197.07179	0.8
220.03098	0.4
271.19089	1.3
331.14096	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.93331	0.6
59.01375	0.8
59.30753	0.6
69.03458	5.7
79.01920	0.6
81.03464	1.4
82.51466	0.7
83.01401	2.8
88.59586	0.9
95.01402	0.8
96.96004	3.9
97.02955	3.3
103.12254	0.8
107.01398	3.0
109.17007	0.7
110.90074	0.7
123.00890	8.0
124.01653	27.5
125.02438	88.9
139.80225	0.8
149.99585	44.9
151.00352	1.4
156.80745	0.7
156.91676	0.8
167.03531	1.1
168.00644	85.3
169.01398	6.3
199.56396	1.0
276.62515	0.9
313.05640	8.1
331.06738	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	331.0676
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.31212	0.5
53.32236	0.6
65.03473	0.7
69.03471	4.2
80.23057	0.6
81.03461	1.1
83.01404	4.6
87.00901	0.8
95.01406	0.7
97.02924	5.1
107.01395	3.7
122.83011	0.8
123.00909	6.5
124.01665	22.2
125.02447	89.7
137.02440	0.7
139.04015	5.7
149.99597	42.7
151.00406	8.7
165.04080	1.0
167.03481	1.1
168.00655	76.1
169.01457	13.5
169.05045	6.1
171.17850	0.7
175.00435	0.7
211.02628	0.8
309.28778	0.9
309.36609	0.7
313.05753	7.0
324.42496	0.7
331.06775	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	331.1035
Annotation	Koaburaside
Peak:m/z	Relative Intensity
59.01398	1.0
61.10535	0.4
66.17246	0.5
69.03486	0.6
71.01390	0.6
76.56506	0.5
77.73177	0.5
79.07799	0.4
85.02963	0.4
92.10748	0.7
96.96007	3.2
109.02944	2.6
111.04571	0.6
124.01647	3.2
125.02428	8.5
125.42254	0.5
138.03198	4.2
139.04008	100.0
140.04291	0.5
149.99608	3.0
152.45297	0.5
168.00601	5.8
168.04282	2.2
169.05061	93.4
178.70193	0.5
200.62709	0.6
214.46887	0.5
225.57961	0.6
331.06714	6.7
331.10410	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	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01403	1.7
77.02962	0.4
85.02979	0.6
96.65918	0.3
96.95995	4.0
100.91865	0.3
110.00099	7.8
113.02469	1.3
123.00801	0.6
124.01650	2.1
125.02444	9.5
137.99580	11.0
138.03148	0.6
139.00369	1.9
140.01128	0.5
149.99609	1.5
151.00391	0.7
152.01173	1.9
152.91791	1.8
153.01945	100.0
154.02768	3.2
155.03455	0.4
161.04587	0.4
166.02736	0.4
167.03516	5.3
168.00623	2.0
168.04292	33.7
169.01385	0.4
169.05075	5.0
227.01376	0.5
232.87386	1.4
250.88509	0.8
255.83559	0.4
305.11453	0.5
330.84348	0.5
331.06723	3.2
331.10468	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	331.1557
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
50.12971	0.6
54.83054	0.7
55.38440	0.7
57.31713	0.8
59.01384	39.9
67.31897	0.8
69.03471	1.1
76.58070	0.8
79.05776	0.8
81.03438	1.0
81.71280	0.8
106.46544	0.9
106.95382	0.9
117.03454	29.6
119.05031	9.5
121.02950	1.4
123.04505	1.2
145.02960	100.0
163.03993	5.3
171.74934	0.9
185.11845	1.1
205.15996	5.4
243.89285	0.8
249.14963	10.3
262.11752	1.2
271.19476	0.8
331.15567	42.8
331.18930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12971	0.6
54.83054	0.7
55.38440	0.7
57.31713	0.8
59.01384	39.9
67.31897	0.8
69.03471	1.1
76.58070	0.8
79.05776	0.8
81.03438	1.0
81.71280	0.8
106.46544	0.9
106.95382	0.9
117.03454	29.6
119.05031	9.5
121.02950	1.4
123.04505	1.2
145.02960	100.0
163.03993	5.3
171.74934	0.9
185.11845	1.1
205.15996	5.4
243.89285	0.8
249.14963	10.3
262.11752	1.2
271.19476	0.8
331.15567	42.8
331.18930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05995	0.4
53.51047	0.3
57.03429	0.3
59.01384	100.0
71.41234	0.4
92.10826	0.5
110.58415	0.4
119.04926	0.4
125.58673	0.4
163.04099	0.4
175.87358	0.4
204.60149	0.4
261.09973	0.4
265.69205	0.4
310.60016	0.5
329.09125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38650	0.4
59.01385	100.0
63.34314	0.5
71.05032	1.0
73.02950	0.6
77.35882	0.5
133.72015	0.5
137.67538	0.5
148.29677	0.5
193.12416	0.9
195.13913	4.3
221.15375	0.8
224.78438	0.5
238.26747	0.6
239.16573	9.6
269.17642	2.2
312.16602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.72049	0.9
71.01398	2.2
71.57377	1.0
73.02960	11.7
85.02956	4.7
114.35873	1.3
134.98985	1.1
137.09807	1.2
144.50252	1.2
151.11365	1.3
153.12796	1.2
167.14291	1.9
195.13861	10.7
221.68617	1.2
257.60974	1.1
336.28894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
59.01385	100.0
64.81389	0.6
70.47004	0.4
83.05027	1.0
84.02953	0.5
92.10719	0.6
97.06581	11.4
121.62672	0.5
215.14439	3.9
221.55904	0.6
233.15511	0.8
269.17654	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01394	10.8
69.03477	1.2
71.01395	4.1
74.32982	0.7
81.03478	1.3
83.01409	3.4
85.02975	2.8
87.00853	0.9
89.02411	0.9
95.01381	1.1
95.55913	0.6
96.96014	45.0
97.02962	2.9
101.02451	1.1
107.01404	3.0
108.01449	1.4
108.02186	43.6
109.02963	5.8
113.02464	2.6
122.05412	0.7
123.00909	2.7
123.04462	1.0
124.01647	8.3
125.02447	100.0
133.05067	5.9
139.04062	0.9
151.00397	12.6
151.03966	2.7
152.03656	0.8
152.91771	9.7
161.04587	5.5
163.14738	0.7
168.00648	14.5
169.01442	99.6
170.01807	0.6
175.00375	0.9
232.87283	6.0
238.15515	0.7
245.86139	0.7
250.88493	5.3
271.08151	4.7
330.84265	5.1
331.06760	56.4
331.13138	1.4
334.78281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37311	0.4
57.81807	0.4
59.01376	100.0
63.76076	0.4
71.05019	0.5
74.26044	0.4
74.37828	0.5
98.23373	0.5
169.12335	0.7
181.12535	0.5
204.42386	0.5
208.05252	0.5
210.94766	0.5
269.17606	3.6
319.85223	0.5
352.22098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.98040	1.2
76.11725	1.4
80.93526	1.3
92.10773	1.4
94.42575	1.4
112.77136	1.5
113.35026	1.3
175.14876	2.4
177.77966	1.3
205.15927	1.5
215.14421	2.5
221.15511	3.4
233.15457	6.0
240.67834	1.4
301.03445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78968	0.4
58.83373	0.4
59.01386	100.0
63.10549	0.4
67.41264	0.4
73.57185	0.4
92.10777	0.5
105.67170	0.4
123.67458	0.4
222.54776	0.4
278.17279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11330	0.6
56.00331	0.6
59.01384	100.0
61.88214	0.7
64.68057	0.6
134.22137	0.8
141.04305	0.8
141.44435	0.7
187.88771	0.8
292.80035	0.7
317.87067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01733	0.3
62.34094	0.4
65.96217	0.3
67.39857	0.3
87.36906	0.4
92.10197	0.4
95.05018	2.1
97.06568	0.5
115.07617	0.4
124.05276	1.6
153.75880	0.4
158.96985	0.4
163.11295	4.6
181.12308	1.4
251.16501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83524	0.3
59.01384	100.0
59.97879	0.4
60.01713	0.3
64.54768	0.3
84.63259	0.3
88.08229	0.4
163.11340	0.4
164.72119	0.3
187.58406	0.4
269.17572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34534	0.4
55.01892	0.5
57.31147	0.4
59.01386	100.0
61.98806	0.3
62.50814	0.5
64.56837	0.4
73.02935	0.8
83.05051	0.4
85.02963	2.4
85.06591	0.5
87.04532	2.0
92.10153	0.8
95.05035	3.3
115.07650	2.2
124.05302	0.7
150.09607	0.5
153.12880	1.8
163.11320	10.4
181.12383	3.0
183.13896	0.6
189.09250	0.5
191.14340	0.6
204.58818	0.5
209.15472	2.3
269.17429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83491	0.2
50.84679	0.2
55.01896	0.4
57.03422	0.3
59.01385	100.0
61.28996	0.3
64.66287	0.3
71.01391	2.4
71.01724	0.3
73.02940	1.5
77.95152	0.3
83.01399	0.4
85.02960	1.4
94.77208	0.3
99.00874	0.4
101.02450	3.0
106.63956	0.3
109.06810	0.3
113.02463	0.7
161.04500	2.5
177.12863	0.3
269.10294	4.2
269.17548	1.3
329.12357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.15775	0.6
56.01279	0.6
58.49248	0.6
59.01384	35.7
70.11972	0.7
81.04760	0.7
85.02971	1.4
85.68176	0.8
92.10129	1.0
93.03436	7.9
99.39799	0.8
108.02187	0.9
109.02953	21.9
121.02951	86.6
122.03738	63.9
123.04530	9.6
124.01663	1.8
135.04512	1.4
136.05307	3.8
137.02417	6.6
148.05313	1.6
149.06097	11.6
154.02698	7.7
163.07687	1.1
168.04300	1.2
177.09198	1.6
189.09384	0.9
231.12384	0.8
263.95160	0.9
285.15173	1.0
308.16092	0.9
313.14603	1.0
314.15305	59.2
329.17645	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	329.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
64.19510	0.5
66.01408	0.5
75.89831	0.4
89.87012	0.5
94.33970	0.5
148.33157	0.5
235.35326	0.5
269.17618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68048	0.5
54.35241	0.4
59.01384	100.0
59.34160	0.4
71.05013	0.8
75.94330	0.4
85.83999	0.5
97.06573	4.5
105.52063	0.4
140.05539	0.5
203.14339	0.5
215.14372	0.5
269.17633	3.5
294.39398	0.5
348.12570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81727	0.7
57.03469	0.7
58.00595	0.9
59.01383	29.6
59.64501	0.8
59.85482	0.8
62.87115	0.7
63.76118	0.7
67.61786	0.8
71.01380	13.7
72.99304	60.8
73.02940	2.1
81.03460	1.1
83.05031	1.0
85.02967	4.1
87.36070	0.8
89.02436	9.9
91.29049	0.9
93.03446	12.3
93.62257	0.8
95.05027	1.2
96.96049	0.9
99.00864	0.9
101.02454	6.0
110.89703	0.8
111.04516	6.0
113.02450	3.5
119.03496	4.1
121.02894	1.3
121.06669	0.9
123.04518	24.8
125.02426	1.9
126.06971	0.8
135.04585	1.2
137.02437	3.9
149.02405	3.5
151.50130	0.8
155.03471	5.5
157.10205	9.4
159.08121	1.9
171.08040	1.1
173.04562	7.6
177.09175	1.4
185.09680	3.7
187.07648	23.6
187.09209	1.7
187.11288	1.4
189.09274	1.8
190.06332	7.4
190.84656	0.9
191.10735	1.2
201.09225	1.0
203.10739	1.2
205.08704	29.6
213.09148	1.5
231.10257	2.1
249.11317	19.6
256.67148	0.9
302.56592	0.8
329.08887	7.5
329.12436	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	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02911	0.3
59.01380	1.5
60.52200	0.3
63.06535	0.3
71.01379	5.3
71.23003	0.4
72.99291	1.3
73.02940	2.3
85.02959	2.6
96.96008	0.8
99.00908	0.4
101.02476	2.8
108.02195	1.8
109.02975	0.6
113.02442	1.7
121.02957	1.6
122.03732	100.0
123.04523	13.7
135.04482	0.6
137.02394	0.5
137.06097	0.9
137.97099	0.4
143.03427	0.6
147.04527	0.7
159.02983	0.7
161.04544	5.5
165.05568	3.5
177.05582	0.7
190.55139	0.4
277.09927	0.4
285.09912	1.7
329.08795	4.1
329.12195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73842	0.2
57.03446	1.3
57.40948	0.2
57.57862	0.2
59.01379	10.8
65.00324	0.5
69.03461	0.3
71.01382	0.4
80.02671	0.2
81.03453	7.7
83.01378	3.9
84.65815	0.2
85.02968	0.3
93.03449	0.5
95.05004	2.1
97.02969	0.3
99.04506	0.3
107.01384	0.8
107.05034	0.2
109.02924	0.3
111.32252	0.2
121.02908	0.8
123.04511	57.2
125.02438	5.8
135.04448	0.8
137.02423	1.4
139.04013	0.9
149.02440	1.6
151.00385	2.1
151.03983	1.7
163.03984	0.9
165.01880	0.2
166.02737	0.3
167.03484	100.0
168.03821	0.4
175.00310	1.4
179.03423	1.5
180.04202	0.8
181.05040	3.3
191.03494	18.9
209.04544	8.6
221.04518	1.7
329.08804	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44798	0.4
59.01385	100.0
71.01395	0.9
76.33266	0.4
76.92378	0.5
85.02967	0.6
92.10155	0.8
96.96026	2.9
107.50108	0.5
112.41991	0.4
123.04533	2.6
124.54628	0.5
125.02485	0.7
131.07138	20.6
151.00430	0.6
166.02667	2.9
185.57495	0.5
208.91698	0.5
269.17654	0.7
293.12567	3.6
329.11920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54896	0.4
57.03458	0.7
59.01376	16.2
59.01655	0.9
71.01366	5.4
71.15157	0.5
72.99310	2.8
73.02934	5.7
75.00867	3.5
83.01404	0.7
83.42079	0.4
85.02962	3.1
86.54205	0.5
87.00902	0.9
89.02431	16.0
101.02406	1.1
103.04002	3.3
105.01904	0.7
110.04047	0.4
119.03374	0.4
122.03722	6.8
123.04510	1.1
131.03494	13.6
149.04547	100.0
161.04607	0.5
179.77284	0.5
205.08795	0.5
228.79631	0.5
261.07977	0.5
329.12561	2.3
344.96909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03669	0.3
59.01386	100.0
87.47739	0.3
89.76260	0.4
92.10237	0.5
101.79245	0.3
171.98021	0.3
172.24736	0.3
204.81021	0.4
255.92932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01387	6.6
66.37975	0.3
68.86694	0.3
90.66812	0.3
104.38480	0.3
106.83960	0.4
178.09943	0.3
224.99579	0.3
281.28513	4.9
309.28058	1.7
325.27521	0.8
327.29086	100.0
328.29318	1.4
330.39816	0.4
345.20654	0.4
347.52267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
53.02217	1.0
59.01382	100.0
61.22772	0.8
75.32977	0.9
92.10182	2.0
187.25279	1.0
195.43913	1.1
216.79845	1.0
327.29092	57.8
328.29691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12132	0.5
58.50352	0.5
59.01385	68.8
60.69533	0.5
74.99374	0.6
77.78160	0.5
93.15876	0.5
115.02534	2.7
117.00432	10.9
129.81160	0.6
143.01961	1.0
144.99928	1.2
157.03514	0.7
159.01494	100.0
160.01767	0.6
169.70346	0.5
170.97882	4.6
187.00999	84.3
201.02570	12.0
228.06311	0.7
232.98225	1.0
274.99289	1.0
296.32019	0.6
302.78561	0.6
323.95529	0.7
329.02188	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	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35757	0.2
52.46188	0.2
57.03455	0.4
59.01384	5.0
65.00328	0.6
67.84147	0.2
69.86243	0.2
71.01417	0.3
81.03453	7.6
83.01379	3.6
92.10146	0.3
93.03438	0.4
95.05013	2.1
97.02966	1.1
121.02965	0.4
123.04521	53.9
125.02446	6.0
135.04538	1.2
137.02455	1.3
137.06056	0.4
139.04039	0.7
149.02457	1.5
151.00369	1.8
151.04013	1.8
163.04031	1.8
166.02684	0.6
167.03510	100.0
168.03868	0.3
173.02380	0.3
175.00366	1.8
179.03529	1.2
181.05052	3.2
191.03523	16.3
193.01506	0.3
209.04578	7.6
221.04515	1.7
329.08890	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
56.87230	0.8
59.01385	6.8
60.85565	0.9
71.01423	1.0
80.02608	0.7
81.03500	0.8
85.02963	0.9
90.19165	0.7
92.10132	0.8
96.96027	3.3
107.46274	0.8
108.02176	100.0
121.02894	0.8
123.04518	46.2
149.02458	4.1
152.01146	62.6
167.03487	98.1
209.04483	1.4
211.13269	1.0
257.37692	1.0
329.08569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89858	0.5
54.47575	0.4
55.01883	0.6
55.94045	0.5
56.82752	0.5
59.01378	100.0
83.05029	2.2
96.70313	0.5
122.04980	0.5
123.08171	2.4
130.40146	0.5
132.87485	0.5
161.09702	1.0
177.52531	0.6
237.14996	0.6
314.69934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60164	0.3
53.36362	0.3
59.01385	100.0
63.39781	0.3
74.84071	0.3
76.77496	0.4
86.68932	0.3
98.99392	0.3
121.85229	0.3
130.19783	0.3
142.47368	0.3
206.29936	0.3
214.17601	0.4
216.66579	0.3
268.62442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21121	0.3
59.01385	100.0
146.58585	0.3
149.75739	0.4
204.73186	0.3
249.57489	0.4
290.65671	0.4
314.87769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
81.74623	0.6
87.54209	0.6
92.10121	1.2
97.90710	0.8
121.02953	1.5
183.24811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.88070	0.3
73.92673	0.3
75.02599	0.4
82.74717	0.3
111.73596	0.3
193.12399	1.6
267.15958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
79.41588	0.3
109.07718	0.3
218.74976	0.3
246.05333	0.4
320.19928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03669	0.3
59.01386	100.0
87.47739	0.3
89.76260	0.4
92.10237	0.5
101.79245	0.3
171.98021	0.3
172.24736	0.3
204.81021	0.4
255.92932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1142
Annotation	2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
Peak:m/z	Relative Intensity
55.01884	0.8
57.03453	42.1
59.01384	70.1
63.18275	0.9
71.01382	27.5
72.99320	4.4
73.02948	13.8
75.00882	4.0
83.01424	1.9
85.02940	10.0
87.04531	1.9
89.02437	15.7
97.02985	1.3
99.04514	30.1
100.01855	1.2
101.02441	41.9
101.03091	1.6
103.04000	12.2
113.02457	9.2
115.00386	7.8
115.03996	1.2
119.03517	7.1
125.02473	12.0
131.03523	2.2
133.01442	9.3
133.05069	33.3
137.49713	1.1
143.03534	1.2
145.05074	1.6
161.04587	13.2
163.06116	24.4
173.09677	1.4
181.07187	100.0
223.08188	12.0
241.95027	1.0
263.11560	1.7
281.10226	1.4
325.11746	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17794	0.5
54.27526	0.4
58.05220	0.4
59.01385	100.0
71.01379	5.0
72.99312	0.9
73.02927	1.0
74.43546	0.4
75.28246	0.4
85.02953	4.2
86.03815	0.5
87.00897	0.7
87.04518	1.0
89.02486	0.6
92.10037	0.4
101.02444	4.2
109.06612	4.2
113.02442	1.0
114.83868	0.4
121.06594	0.6
135.08131	0.9
147.08200	2.1
161.04541	3.1
162.15988	0.4
163.07675	0.9
172.53940	0.5
173.09665	3.7
177.05753	0.6
180.78664	0.5
191.07181	0.6
191.10754	0.8
219.10315	1.2
265.12936	9.1
281.10355	3.0
318.57611	0.5
325.09290	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	325.1661
Annotation	Naematolin G
Peak:m/z	Relative Intensity
59.01385	100.0
59.60178	0.3
83.12740	0.4
85.55579	0.4
98.99848	0.4
111.98960	0.4
138.39323	0.3
347.75818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.88564	0.6
54.83080	0.9
58.35486	0.9
59.01375	9.4
85.77283	0.9
97.87138	0.9
107.24458	0.9
149.09717	97.8
163.11288	100.0
183.01170	5.7
196.38940	0.8
325.18442	7.8
325.21771	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
59.01382	11.4
66.18636	1.1
87.32999	1.2
91.27872	1.2
103.64736	1.6
110.81980	1.3
140.78461	1.2
144.82486	1.2
161.04285	1.3
183.01239	8.0
279.23343	54.2
281.28595	1.6
307.26392	1.9
325.18790	10.4
325.27536	100.0
326.28082	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	326.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72804	0.2
59.01390	2.9
61.98836	100.0
96.12674	0.2
159.87158	0.2
188.73711	0.3
254.26620	0.3
290.07495	0.4
301.15863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.68110	1.1
58.20854	1.0
59.01107	2.1
59.01376	42.1
75.13940	1.3
92.10719	1.5
93.03438	41.4
96.99300	9.8
106.04240	1.2
117.03471	1.8
119.05004	51.1
123.04507	5.8
130.04211	2.0
131.05034	11.2
133.02933	8.9
143.05003	34.6
145.02953	6.8
145.06563	1.5
163.04010	22.3
165.05511	6.0
171.04462	2.8
211.07680	9.7
221.09680	2.2
223.07556	2.1
235.07629	9.4
237.09143	11.0
253.80234	1.4
265.08633	32.8
309.07553	8.2
327.08710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78029	1.1
55.01898	2.0
59.01384	64.4
60.16636	1.1
71.01382	32.7
73.02946	32.9
75.00873	33.1
78.95899	5.5
84.79745	1.4
85.02943	16.5
85.85028	1.2
87.00877	42.0
89.02441	33.4
91.22153	1.2
93.03539	1.7
99.00893	5.0
101.02460	16.2
103.04034	2.0
105.01933	6.2
113.02454	10.2
117.01997	1.6
119.03503	11.8
120.95510	1.8
129.01974	2.3
130.42239	1.3
133.74008	1.3
135.02988	35.0
143.55684	1.3
153.39285	1.2
179.05673	1.4
187.63823	1.5
191.05635	51.2
192.97649	1.4
247.55731	1.6
254.97627	2.6
327.09387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.9
57.03458	0.9
58.00624	0.9
59.01385	100.0
61.02249	0.7
61.98835	15.6
65.27119	0.7
71.01382	18.9
71.88618	0.8
72.99315	4.2
73.02994	1.2
83.01412	0.9
83.05005	1.1
84.67539	0.8
85.02966	4.8
87.00880	1.0
89.02435	15.6
93.76715	0.9
95.05030	0.9
101.02441	9.6
107.05029	1.1
109.02959	1.3
113.02459	6.1
119.03506	5.6
119.05035	4.3
123.04578	1.0
140.29510	0.8
147.04536	75.5
165.05612	11.3
179.03561	0.8
289.07196	5.0
327.10913	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52322	0.6
54.83158	0.7
58.00614	1.0
59.01388	100.0
71.01385	35.4
71.01773	1.1
72.99316	1.9
73.02971	3.2
75.00896	3.7
78.80995	0.7
81.72180	0.8
82.12245	0.7
83.01421	1.3
85.02946	8.0
89.02444	35.4
93.03452	1.0
93.83824	0.8
95.01404	1.5
95.57870	0.7
101.02439	13.5
113.02459	12.2
113.24174	0.8
119.03506	10.5
119.05042	1.4
126.60712	0.7
135.08205	0.8
147.04544	43.0
161.04622	1.2
175.11073	0.8
179.05598	1.2
327.10965	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	327.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41420	1.7
57.03457	2.6
59.01392	20.9
71.01403	4.0
72.99294	14.1
75.00874	2.2
85.02987	3.1
87.00878	33.4
89.02460	1.8
96.96016	17.0
99.00879	3.6
101.02457	2.2
105.01948	32.8
109.06578	2.3
110.31535	2.1
134.03777	4.6
135.04523	71.7
147.03015	4.5
148.63994	2.0
164.04839	3.1
165.04066	100.0
173.09705	2.2
179.03511	33.3
193.12436	2.4
201.42133	2.3
207.78070	2.4
283.11957	4.6
283.16458	2.4
310.34171	2.1
321.32715	2.2
327.10898	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1089
Annotation	Majucin
Peak:m/z	Relative Intensity
50.59655	0.5
52.75345	0.5
57.03454	6.7
59.01386	6.0
62.57037	0.6
63.47732	0.4
63.76317	0.5
71.01393	0.7
71.05038	1.0
71.49139	0.6
72.99323	0.7
73.02950	0.7
77.52654	0.6
79.05508	0.8
81.03467	2.5
83.05051	0.9
85.02959	5.7
85.06065	0.5
85.51102	0.6
87.00886	1.1
87.04529	0.7
93.03471	1.5
95.05019	2.6
96.02425	0.6
96.95982	0.9
97.02979	0.8
97.06571	0.9
99.00877	1.0
99.04519	2.6
101.02446	4.7
105.52261	0.7
107.05018	1.2
111.04518	0.7
121.06554	0.7
123.08140	3.3
125.02446	0.7
125.06059	0.9
133.06566	4.8
133.10237	0.9
135.08153	1.3
139.07611	0.8
143.08643	1.0
145.01393	3.5
149.09705	2.7
151.03972	0.8
151.07643	7.7
151.11288	1.0
157.10237	5.2
159.08163	0.7
161.06108	1.3
161.09808	0.9
163.07646	3.1
175.07664	1.0
175.11282	9.4
179.07124	4.4
185.09747	4.3
191.10620	0.6
193.08659	0.9
193.12325	4.6
195.06601	1.0
197.05432	0.6
197.78751	0.6
203.10773	2.6
205.08736	0.8
219.10246	1.1
223.06168	1.0
229.08684	1.0
247.09772	6.0
265.10843	4.6
309.09866	2.8
327.10889	100.0
328.11407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Majucin
Peak:m/z	Relative Intensity
50.75795	0.8
59.01384	6.4
61.98852	1.1
72.99327	1.4
73.69695	0.9
85.02964	1.0
87.31184	0.9
91.86433	0.9
95.05002	3.7
96.95983	1.5
105.00164	1.3
109.06609	4.8
109.44946	1.0
111.04510	1.3
135.75935	1.0
137.06061	1.4
147.08163	4.5
150.48250	1.0
155.08685	1.4
157.10223	51.0
159.08150	4.9
161.09747	1.2
173.09666	1.5
175.11281	28.6
177.09239	2.0
177.12875	1.1
185.09633	1.0
191.08992	1.1
191.10730	1.7
201.09129	1.3
203.10811	2.0
219.10257	1.8
221.11809	1.6
265.10797	12.7
283.11801	13.9
327.10889	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	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08953	0.2
58.00616	0.3
59.01386	7.4
62.89492	0.3
71.01384	2.9
85.02971	0.4
89.02463	2.0
101.02472	1.4
113.02438	0.6
117.03473	26.9
119.03632	0.3
119.05045	5.7
145.02972	100.0
146.03291	0.6
159.04593	0.5
161.06100	1.5
163.04042	4.4
167.48436	0.4
187.04050	1.9
205.05057	0.6
250.19221	0.4
259.94034	0.4
265.07214	0.7
313.45215	0.3
325.09421	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	325.0931
Annotation	Bilobalide
Peak:m/z	Relative Intensity
54.22534	1.2
57.03471	2.6
59.01382	10.0
70.35968	1.5
71.01376	3.8
72.99292	2.5
73.02947	8.8
85.02961	8.2
87.00867	13.4
87.04515	23.2
92.10780	5.9
94.04232	2.6
95.05046	7.2
100.16399	1.7
105.03803	22.2
107.05029	2.4
109.06592	64.4
114.16154	1.8
121.06620	14.0
123.08165	3.1
130.12083	1.6
133.06616	2.5
135.08170	18.8
137.09692	13.1
143.08650	3.2
145.06612	3.9
145.10204	2.0
147.08192	31.5
149.06078	10.2
149.09732	3.6
151.07628	3.7
158.07288	2.4
159.08182	2.6
163.07675	31.0
173.09720	40.4
175.07639	2.3
176.08485	2.8
177.05563	8.7
191.07141	14.6
191.10764	20.0
197.48119	2.1
201.09221	3.9
209.08078	2.0
219.10262	19.9
243.50661	1.7
245.08179	3.1
257.87695	1.8
263.09216	10.2
281.07480	2.6
281.10312	42.0
325.09354	100.0
328.27551	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	321.2072
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01384	100.0
84.62922	0.4
86.92686	0.4
93.84747	0.5
95.88855	0.4
103.04001	0.6
111.01901	0.5
119.46066	0.5
150.04338	0.6
220.85689	0.5
255.74336	0.5
277.17996	1.0
321.20755	48.9
329.43433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47111	0.3
54.75718	0.3
54.83239	0.4
57.03453	1.8
59.01385	2.5
71.01384	0.7
73.02945	61.5
74.69263	0.3
89.02486	0.8
92.06995	0.4
92.10169	0.7
99.00874	7.9
99.04505	0.6
101.02461	0.6
106.05871	0.4
117.01939	100.0
142.25121	0.3
161.04524	0.6
233.30217	0.4
328.48004	0.4
347.21957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	37.7
59.01386	47.7
61.07271	0.9
63.81631	0.8
71.01381	18.8
73.02946	68.0
77.81535	1.0
81.03481	1.5
83.01413	4.6
85.02950	3.6
89.02448	16.6
96.96006	1.4
99.00878	9.2
99.04529	22.5
101.02448	24.7
113.02443	9.2
113.06099	1.6
117.01942	100.0
119.03506	6.4
123.04490	8.4
125.02441	8.4
131.03619	0.9
141.05629	1.6
143.03523	1.9
161.04573	32.3
179.05652	8.1
233.06721	2.4
263.07813	9.2
323.09897	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01390	3.1
85.03012	0.6
89.02441	3.3
101.02419	0.9
113.02443	0.9
115.34315	0.4
119.03503	0.8
153.18633	0.5
179.05641	2.2
189.95871	0.5
217.63202	0.6
228.77907	0.5
263.11392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.73022	0.9
71.01378	16.8
83.15957	0.9
85.02972	4.1
89.02438	22.6
91.27012	0.9
92.10814	1.8
97.18737	1.0
98.22372	1.0
101.02425	11.1
113.02449	7.8
119.03484	8.6
128.02382	0.9
131.03540	1.3
143.07178	4.4
161.04582	1.3
179.05620	1.9
197.83884	1.1
278.06744	1.1
323.13547	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01386	1.5
73.09197	0.9
84.11698	0.8
101.06080	66.9
113.02444	1.4
141.52258	1.1
186.29893	1.0
245.52148	0.9
263.11426	1.7
304.79855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44586	23.5
59.01398	49.5
60.18103	19.8
63.56997	22.8
73.32207	24.2
82.49992	22.7
85.18901	24.6
85.20382	23.2
111.08176	100.0
149.11200	25.5
181.12361	94.7
216.50916	25.2
225.57152	25.5
336.91418	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
63.79641	7.7
64.37354	11.3
68.71511	8.2
71.01346	8.7
88.03889	8.9
96.96954	14.5
101.07252	7.6
122.30809	8.7
132.61180	10.0
140.50012	9.1
147.38002	8.0
183.75706	8.5
227.19777	8.9
232.87154	10.5
235.13361	9.6
238.58806	8.5
246.22031	8.2
276.57117	8.1
277.72601	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	323.1869
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.23732	3.8
57.03464	23.4
59.01385	77.7
63.58284	4.1
64.32687	3.8
73.02944	5.6
75.18824	4.1
80.02677	6.4
83.01420	5.5
83.05045	5.9
84.02223	5.9
85.02963	8.1
89.80983	5.1
92.65855	4.4
95.05054	10.4
96.96019	5.5
97.06590	24.3
101.06161	6.0
109.06597	49.8
121.02991	5.8
123.08181	25.8
125.09720	88.1
127.11269	9.0
135.08176	59.8
151.07642	7.8
153.09247	18.3
155.10826	6.5
162.91212	4.7
165.02011	5.9
165.09174	10.0
171.10320	10.7
191.10658	5.3
199.09776	4.7
201.11353	54.2
209.11913	21.5
213.11334	31.6
233.79979	5.2
250.12280	7.0
263.12784	4.9
287.16534	45.1
305.17676	100.0
323.08258	22.6
323.18692	36.0
346.57932	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	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.7
59.01603	0.6
59.12411	0.6
60.76307	0.7
71.01400	3.4
86.99387	0.7
89.02478	1.7
89.49969	0.7
98.52085	0.7
113.02505	1.0
116.87521	0.8
117.03469	25.4
119.05037	5.1
143.59770	0.8
145.02969	100.0
163.02728	0.8
163.03983	5.5
180.03433	1.0
187.04001	1.5
205.05035	1.0
206.01466	1.8
235.06209	0.9
265.07071	1.4
277.15201	0.7
325.09317	4.7
338.53903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	34.5
73.02962	24.5
74.65749	16.1
83.05028	15.4
100.70139	18.9
108.92376	13.8
115.74820	17.6
123.36217	16.3
157.08789	19.0
180.12238	16.1
285.14084	19.3
285.17184	100.0
321.15012	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	321.2074
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
57.03447	5.1
57.30859	0.6
58.74751	0.5
59.01394	5.8
61.98847	1.1
63.79642	0.6
65.03667	0.5
67.11913	0.6
81.03529	0.6
83.01427	0.8
85.02964	100.0
98.90822	0.6
111.04536	1.5
123.08187	3.2
125.09689	0.7
137.09814	1.2
141.01678	1.1
141.09193	0.8
153.12866	1.2
161.98820	0.8
167.07135	4.1
175.14981	3.3
185.08212	0.6
201.09113	0.7
203.10847	0.7
203.14444	0.8
205.15894	0.9
217.12334	0.7
217.15970	6.2
231.59839	0.6
245.15555	0.9
259.16980	1.3
261.18494	0.7
303.19720	5.5
321.20758	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	321.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
69.03438	81.5
79.45936	60.9
84.90464	60.1
92.10205	86.4
103.15846	68.7
108.15182	64.1
119.15888	71.3
147.00920	91.6
285.17181	94.0
301.05911	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83474	11.7
53.49666	12.5
57.03471	24.1
57.78466	12.1
59.01402	100.0
74.07382	14.0
89.54356	16.4
92.62141	16.0
106.48173	13.4
109.94299	13.7
110.34115	14.4
121.02983	26.4
139.88911	17.8
163.48386	16.3
225.15024	66.7
255.05450	17.8
286.34399	15.0
321.17303	23.0
321.20673	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61682	15.4
57.77456	12.4
59.01385	18.3
66.55497	13.3
73.02938	21.6
153.83144	15.0
154.29784	15.3
239.16606	17.3
248.46414	16.9
285.17065	100.0
307.71097	16.6
321.14502	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82256	7.4
59.01381	100.0
65.53548	8.0
66.65909	8.3
76.58501	8.0
95.05017	12.2
163.07675	10.5
174.83812	9.5
239.16452	86.0
259.16907	11.6
271.18167	9.7
321.17059	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	321.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89042	87.6
57.12307	76.9
57.79337	74.0
79.22298	94.4
79.44606	91.5
87.38696	96.8
164.82460	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	321.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83474	11.7
53.49666	12.5
57.03471	24.1
57.78466	12.1
59.01402	100.0
74.07382	14.0
89.54356	16.4
92.62141	16.0
106.48173	13.4
109.94299	13.7
110.34115	14.4
121.02983	26.4
139.88911	17.8
163.48386	16.3
225.15024	66.7
255.05450	17.8
286.34399	15.0
321.17303	23.0
321.20673	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20911	0.6
57.03479	0.6
59.01390	100.0
65.37774	0.6
69.03475	0.7
71.01389	1.4
72.99322	0.7
73.01185	8.6
75.00949	0.6
79.05037	0.6
80.61903	0.5
81.03475	0.8
85.02971	0.7
89.02486	0.9
95.01402	0.8
95.05000	0.9
97.06588	9.0
99.04523	34.9
102.01438	1.0
102.93982	0.6
107.85979	0.6
109.06600	0.8
113.02486	1.4
115.07637	4.5
127.07681	1.5
137.02464	0.7
139.07701	1.3
141.05602	0.9
149.06110	0.9
159.06636	10.1
160.05644	3.9
161.04564	0.8
171.08501	2.5
181.18959	0.7
183.06639	1.0
189.07932	1.2
189.09557	9.3
245.09329	0.8
261.09595	0.7
277.11157	2.5
321.12051	1.2
321.15826	0.8
321.19260	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	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74211	0.5
53.89796	0.5
55.63159	0.4
57.03451	0.6
59.01385	100.0
60.96898	0.6
71.01373	2.2
72.99312	1.3
73.01170	6.3
73.02954	0.7
91.05523	2.1
92.10232	0.7
95.04996	1.2
97.06567	9.5
99.04505	31.9
101.02426	0.6
112.98577	0.8
113.02475	1.1
115.07645	3.5
130.58203	0.6
137.00148	0.6
148.46028	0.5
149.06100	2.6
159.06628	10.9
160.05687	1.2
171.08510	0.7
183.06621	0.6
185.02275	0.9
189.09549	8.0
191.05608	0.6
239.05597	3.1
261.03790	0.8
261.09668	0.8
277.11285	0.7
307.34351	0.6
321.19064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01384	100.0
61.56409	0.5
61.68367	0.5
69.93472	0.6
107.05042	1.0
109.02978	0.9
109.06635	0.6
111.04520	1.2
121.06608	0.7
122.03662	1.9
124.05312	2.5
133.06580	9.2
135.08145	0.8
137.06059	1.0
139.07637	15.8
149.06079	2.5
150.41010	0.6
159.86342	0.6
169.08667	2.4
173.40182	0.7
181.08727	3.6
187.11252	3.1
202.28877	0.7
205.12320	2.6
210.09061	5.2
211.09767	1.0
217.12279	2.3
234.17276	0.7
235.13213	0.8
321.14667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.228
Annotation	11(S)-HETE
Peak:m/z	Relative Intensity
57.03444	0.9
59.01391	2.2
61.04866	0.8
65.38437	0.7
65.40799	0.8
73.10495	0.8
83.05037	4.0
99.04514	15.1
99.90075	0.9
108.47794	1.0
108.87917	1.1
111.04501	1.2
125.09718	5.6
128.16869	1.0
135.08113	1.2
151.11301	28.6
165.56281	0.9
167.10800	6.0
213.56395	1.0
221.15506	1.6
274.79324	0.9
275.23773	1.0
301.21750	1.0
319.19547	4.3
319.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2281
Annotation	3-Oxocativiniv acid
Peak:m/z	Relative Intensity
56.67507	0.8
59.01376	0.9
64.42345	0.6
68.11414	0.7
69.03469	3.7
83.47787	0.7
84.02173	4.5
84.89211	0.8
92.65340	0.8
95.05048	3.8
97.06593	4.2
111.08167	10.2
113.09700	3.3
118.33956	0.6
125.06055	0.9
127.07656	12.0
129.69495	0.8
139.11278	1.6
175.29457	0.8
193.15968	1.0
205.15996	4.8
231.17557	6.3
259.20651	1.3
273.22253	7.3
275.23813	100.0
319.22818	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.228
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
53.50992	2.3
56.17941	2.1
59.01388	10.6
59.44886	2.3
60.99303	2.6
66.85352	2.3
68.57532	2.4
71.05020	4.9
74.78522	2.4
79.47272	2.3
83.05061	2.9
89.06208	2.5
101.31779	2.5
104.46684	2.4
189.12819	3.4
225.37524	3.0
247.66528	3.5
271.09808	2.5
273.22284	26.6
275.23755	31.2
293.24918	4.8
319.19397	8.8
319.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2281
Annotation	8(R)-HETE
Peak:m/z	Relative Intensity
59.01388	5.5
63.53914	0.9
74.41190	0.8
90.57536	0.8
110.66939	0.8
111.04542	3.5
116.43161	0.8
147.04561	1.2
179.07487	1.0
237.15079	1.2
273.22302	13.4
277.29678	1.0
301.21707	14.0
319.19620	3.7
319.22818	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	321.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95783	1.8
59.01385	64.7
71.01387	26.9
73.02959	4.6
85.02985	4.3
89.02422	15.9
90.84586	1.9
97.06611	9.7
99.04546	9.7
99.08188	2.7
101.02479	3.2
109.06615	9.4
113.02458	3.7
115.52537	1.9
123.08247	2.0
125.06132	2.6
127.07651	50.9
141.80563	2.1
143.07179	27.0
145.08722	3.0
171.06680	8.1
189.07703	100.0
193.33638	2.5
231.08784	2.4
267.79590	2.0
321.11972	91.7
321.15323	5.5
321.19318	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	319.132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20099	17.2
59.01382	82.7
69.25742	17.6
73.88398	19.4
74.44579	20.3
77.74349	18.5
78.12005	20.8
106.70292	19.8
139.07690	25.0
171.50380	20.6
223.61292	21.6
242.06082	20.8
275.20160	100.0
289.61853	23.8
319.19022	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92164	0.6
54.82193	0.7
57.03459	0.8
59.01377	100.0
71.01379	4.5
72.99316	3.0
73.02946	4.0
85.02971	1.7
89.02461	0.7
99.04534	1.5
101.02414	0.9
103.02208	0.9
109.02926	0.7
112.38567	0.6
123.08166	1.2
125.09718	0.8
153.09209	5.6
161.04530	0.9
162.04561	0.8
163.68195	0.6
169.08675	0.8
171.10263	3.2
215.09224	19.4
233.10228	1.2
275.11459	0.9
319.13870	2.8
319.17416	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	319.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32593	0.6
57.03461	10.6
58.68090	0.6
59.01398	3.2
72.84796	0.8
83.05032	5.1
97.06594	5.0
97.07839	0.7
97.27549	0.8
100.85886	0.8
112.03577	0.8
123.08141	1.6
175.14954	1.3
193.15999	61.5
237.14983	100.0
242.12787	0.9
319.15411	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	319.2279
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
50.26875	1.0
55.88554	0.8
56.82619	0.8
57.03458	1.0
59.01376	2.5
64.43081	0.8
71.05006	1.4
75.21550	0.9
78.88109	1.0
89.88297	1.0
92.10783	1.9
105.85960	1.0
163.11252	1.7
191.14503	1.9
196.28860	1.2
205.15942	13.4
207.17598	8.8
219.17592	6.1
238.25345	1.1
259.20584	1.8
273.22269	35.1
273.25089	2.1
275.20950	1.6
275.23840	19.3
319.19565	3.6
319.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.38107	1.0
54.82580	0.9
69.03455	26.4
69.45853	1.0
69.99683	1.0
71.05029	1.7
76.10202	1.1
76.64776	1.2
77.30708	1.1
84.02172	50.9
95.05026	2.8
97.06561	2.3
99.08175	4.3
104.66821	1.1
105.14939	1.0
107.05061	10.9
111.08221	1.6
124.05305	1.8
125.06075	12.8
126.06857	2.1
127.07641	94.1
138.85843	1.3
140.97929	1.1
167.10788	1.9
193.15987	20.3
195.10315	1.4
231.17557	17.8
247.17072	2.7
248.17900	1.6
249.18562	6.7
291.23315	8.9
319.22815	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	317.2125
Annotation	Echinodolide A
Peak:m/z	Relative Intensity
56.51355	0.5
58.49990	0.5
59.01384	7.8
60.99220	0.5
111.86100	0.6
169.12337	0.7
182.76471	0.6
225.12985	0.6
227.14436	5.4
235.13504	7.1
240.55052	0.7
257.15546	2.6
259.17059	92.4
260.17401	0.9
299.20151	6.0
301.18140	13.4
317.21259	100.0
318.21643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56842	17.2
59.01396	36.2
61.98838	19.9
65.23866	20.0
69.15850	17.2
75.99665	22.2
79.05295	20.5
84.64811	19.8
100.93183	22.6
110.64943	20.4
155.56100	23.0
235.16861	22.1
236.17392	100.0
318.21686	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89816	0.3
59.01373	0.4
68.99573	100.0
74.95525	0.3
87.81125	0.3
96.96025	1.8
112.98568	90.0
135.91812	0.3
152.06454	0.3
160.20773	0.3
162.44850	0.4
188.65280	0.4
189.44550	0.4
242.72963	0.3
255.45375	0.4
297.78577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	23.9
58.44976	0.4
59.01386	23.7
67.62979	0.4
67.87116	0.4
69.03457	0.9
71.01383	1.3
71.05049	0.9
72.99324	0.8
73.02946	9.1
76.75430	0.5
77.03950	0.5
81.03472	2.5
81.95541	0.5
83.01387	3.9
83.05043	2.3
85.02927	0.7
87.04555	0.5
93.03474	2.6
94.73461	0.5
95.01424	0.9
97.02969	1.1
99.04504	9.7
101.06103	1.0
108.02200	1.1
109.02974	3.3
109.06619	2.4
120.02203	3.0
121.02952	6.1
121.06639	0.4
123.04556	1.2
125.02448	100.0
125.09810	0.7
133.02969	5.6
135.04543	0.9
137.02429	11.2
139.04027	2.1
139.07616	1.0
149.02435	3.0
151.00316	0.8
153.09215	5.4
159.04509	0.8
161.02455	28.0
162.03229	3.0
163.00378	1.1
164.01154	26.4
164.02554	0.8
165.01947	20.5
169.08717	0.7
171.10338	4.1
193.01418	2.8
197.04588	4.2
201.05598	0.8
215.07393	0.9
215.09206	4.4
225.05637	0.8
243.06461	0.6
265.83740	0.5
269.04575	1.2
287.05627	4.6
319.08368	1.0
319.14066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01402	4.6
78.95911	1.2
81.03469	1.0
85.02975	1.5
89.02473	1.3
97.06647	1.6
101.02473	1.7
121.02977	1.6
125.02447	1.9
125.06056	2.0
125.09746	2.1
132.67642	1.1
143.07178	2.2
157.86975	0.9
161.04570	1.1
187.04121	1.1
187.06128	1.8
215.03496	1.7
215.09277	3.5
233.04607	1.2
251.84012	1.0
259.08423	1.1
301.03571	5.0
319.04599	1.2
319.10474	7.7
319.13770	1.4
320.63907	1.1
323.04639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04472	1.2
53.00369	1.2
54.83162	1.5
56.68308	1.4
57.03466	3.2
59.01389	41.6
60.99333	1.7
71.01397	3.9
71.05034	7.5
73.02971	3.6
74.88268	1.6
81.03468	2.8
83.05045	7.1
85.02943	2.4
88.98812	18.1
92.65775	1.5
94.73689	1.5
97.06568	2.2
99.04530	7.2
111.08148	2.0
113.06074	2.5
113.09727	3.9
123.08163	7.9
125.09708	41.4
135.08167	1.9
151.07663	2.7
153.09210	24.4
169.08730	13.2
171.10272	44.1
173.08238	11.1
187.09721	9.0
197.08243	3.8
215.09280	100.0
230.50220	1.7
233.10327	62.5
271.10934	2.7
275.11441	28.4
319.13116	14.3
319.17285	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	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42109	0.7
52.66924	0.7
54.73323	0.7
57.03461	1.8
59.01390	100.0
69.03452	1.0
71.01401	2.1
73.02953	7.7
83.05021	1.1
85.02940	0.9
89.02434	1.0
89.20654	0.7
91.26924	0.8
93.07072	1.0
95.04993	0.8
97.06564	1.5
99.04508	5.6
105.76351	0.8
106.11503	0.8
106.86684	0.9
109.06596	9.1
111.08157	12.2
119.35201	0.7
125.02425	4.6
125.06122	0.8
125.08819	1.0
125.09718	27.3
127.07632	6.1
135.08167	1.0
137.06265	0.8
153.09210	9.9
155.07149	4.2
169.08752	1.1
171.10271	64.1
173.08194	46.2
187.09749	1.4
197.08163	4.3
213.05606	1.4
215.09279	46.9
231.75153	0.9
233.10315	38.3
234.10555	0.9
241.05026	1.4
244.29315	0.8
256.07205	1.5
271.09741	1.5
275.11404	28.8
275.14398	0.9
281.73709	0.9
319.13858	1.2
319.17606	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	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.6
59.01377	100.0
60.01704	1.3
61.01821	2.8
61.98834	3.0
69.03449	2.4
71.01396	2.1
73.02939	1.9
73.94537	1.2
75.00872	1.7
79.95740	1.6
81.03457	5.1
82.72063	1.2
83.05022	2.7
85.02946	5.6
85.03773	1.1
92.75764	1.2
95.04996	1.5
96.96008	12.2
97.02955	1.5
97.06593	1.4
99.04523	8.3
103.04002	8.6
111.08192	1.6
123.08158	1.4
129.59653	1.4
199.13390	1.7
209.94911	1.3
215.03787	1.5
229.16446	1.4
255.16129	1.4
265.47903	1.4
269.17609	8.6
275.14554	1.4
287.01944	11.5
315.01358	12.0
315.12750	7.6
330.37509	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.32903	0.3
60.01720	5.5
61.01810	7.5
61.36599	0.4
61.98836	3.5
76.08355	0.3
96.96021	1.3
121.65082	0.3
128.25345	0.3
154.70012	0.3
155.38832	0.3
180.07945	0.7
198.08951	1.9
217.00179	0.4
237.14980	0.5
255.15927	0.5
315.12769	1.4
334.19855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.99324	0.4
151.48679	0.4
174.39313	0.4
276.96854	0.6
290.62579	0.6
336.79929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.32903	0.3
60.01720	5.5
61.01810	7.5
61.36599	0.4
61.98836	3.5
76.08355	0.3
96.96021	1.3
121.65082	0.3
128.25345	0.3
154.70012	0.3
155.38832	0.3
180.07945	0.7
198.08951	1.9
217.00179	0.4
237.14980	0.5
255.15927	0.5
315.12769	1.4
334.19855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.99324	0.4
151.48679	0.4
174.39313	0.4
276.96854	0.6
290.62579	0.6
336.79929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
92.10143	0.3
129.40428	0.2
184.64703	0.3
256.77246	0.3
311.69757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.02396	0.5
79.95755	0.6
96.96006	2.8
97.06606	0.4
125.02434	0.6
131.05023	0.3
145.42020	0.3
149.02452	0.4
151.00189	0.3
153.40681	0.3
153.95523	0.3
159.04384	0.4
169.02916	0.4
187.03995	0.6
203.03577	0.5
231.02997	0.5
241.01463	0.4
253.14255	0.4
259.02411	1.7
287.02014	6.6
315.01495	6.5
315.12646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	1.0
59.01384	100.0
63.02409	6.0
65.00352	2.2
69.03468	1.4
74.49471	1.1
75.64317	1.1
80.31580	1.1
87.04543	1.3
87.26911	1.2
91.01870	1.5
92.10089	6.3
97.17496	1.4
107.01372	2.0
120.99365	1.4
125.02419	9.7
131.05042	4.7
135.00870	1.5
141.03416	1.5
142.82939	1.2
143.05005	6.8
145.02953	2.0
149.02470	6.2
151.00388	1.8
159.04543	8.1
171.04541	3.0
173.02437	2.2
175.04004	5.4
187.04019	9.4
187.63231	1.2
190.07808	1.4
191.03479	2.5
197.02406	1.9
203.03546	9.1
213.02040	8.9
215.03621	9.1
217.01488	1.7
231.02980	5.8
241.01425	2.9
242.02168	1.6
243.03033	6.8
259.02472	14.2
287.02002	76.5
288.02435	3.1
314.97852	2.8
315.01517	76.4
316.01840	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12206	0.2
54.82761	0.3
57.91691	0.3
59.01383	100.0
60.01715	0.6
61.01817	0.5
61.98833	0.7
104.86753	0.3
120.89964	0.4
150.86458	0.3
174.99200	0.4
191.65161	0.3
217.00394	0.4
219.17569	1.5
243.58865	0.3
255.19684	9.3
315.19717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	18.5
61.98825	1.9
71.01396	7.8
72.99297	2.9
89.02464	5.3
95.70360	1.3
96.95975	2.0
101.02460	2.9
109.02981	7.6
110.03311	5.3
113.02502	2.9
115.37495	1.4
123.04526	1.7
124.04031	1.8
125.01189	59.1
126.05623	5.0
136.04056	14.8
138.02057	2.3
138.05623	8.2
152.03522	2.2
153.02007	1.9
153.05525	1.6
154.02391	2.5
154.05109	100.0
303.63980	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	316.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14340	0.2
59.01377	2.1
59.09020	0.2
61.98833	100.0
109.05966	0.3
148.87869	0.3
149.30972	0.3
169.78523	0.3
191.14442	0.3
209.15509	11.3
215.08119	0.2
215.10533	0.3
253.14482	8.2
267.34717	0.3
271.14777	0.3
316.19775	0.4
339.23132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.4
59.01376	5.5
59.90961	0.3
61.98825	100.0
63.28850	0.3
76.57899	0.4
102.17822	0.3
117.63880	0.3
153.29449	0.3
302.53055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1758
Annotation	9beta-Isobutyryloxy costunolide
Peak:m/z	Relative Intensity
54.82904	1.2
57.03456	14.6
58.35711	1.2
59.01384	23.5
60.01744	1.3
61.01814	1.4
61.98835	2.3
65.04564	1.1
66.27815	1.3
71.10258	1.0
78.95911	1.5
81.07104	1.7
83.05029	2.4
87.04523	73.2
87.05063	2.5
96.95995	5.2
101.06088	6.3
109.06502	1.3
132.52080	1.4
137.53871	1.2
150.87103	1.6
151.36443	1.3
169.10092	1.2
209.09688	1.9
211.11287	3.0
213.12970	2.5
227.14435	2.1
229.16040	1.4
237.12863	9.9
237.16536	1.4
238.13689	2.7
239.14381	5.2
253.12384	1.9
253.15974	1.3
257.15445	9.6
259.28152	1.3
271.17108	14.2
273.18445	9.5
317.14386	5.6
317.17590	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	317.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.8
59.01380	8.1
61.98834	7.9
66.48297	0.9
67.05535	7.6
92.10197	1.3
96.96032	7.9
109.06614	2.3
111.04532	2.1
129.07912	1.2
147.04533	100.0
169.08719	52.6
169.10036	1.7
171.52095	1.1
222.31670	1.3
233.76703	1.3
317.14267	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	317.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.7
62.82433	2.1
76.07167	2.3
84.27409	2.1
121.27288	2.1
122.83954	2.3
162.90674	2.3
172.71829	2.2
235.17039	100.0
241.63251	2.3
317.17355	51.6
317.21213	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	317.0302
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
50.25660	0.9
57.03455	5.0
59.01384	10.1
60.01716	1.4
61.01810	1.7
61.98831	8.7
63.02417	6.7
65.00328	9.9
67.67484	0.7
81.03455	1.3
83.01389	13.2
91.01881	0.9
95.01376	8.7
96.96018	1.9
107.01394	17.4
108.02196	4.3
109.02957	100.0
111.00878	1.2
113.18498	0.9
121.74026	0.9
124.01663	6.2
125.02421	13.1
133.02933	3.9
135.00882	8.8
137.02412	1.6
151.00380	47.5
152.01180	19.6
153.00841	1.7
153.01952	25.3
161.02510	1.2
163.00388	47.9
164.01108	1.9
169.01457	2.0
175.03966	1.5
178.99875	23.1
183.04517	1.8
190.99879	23.8
199.04037	2.0
201.02042	1.2
203.03464	1.6
206.99377	16.2
207.02965	1.6
208.00185	9.6
211.04031	5.3
213.01843	2.0
217.05095	1.7
227.03577	14.4
231.03009	2.2
243.02937	1.4
245.04543	4.8
252.84764	1.1
255.03003	11.6
257.79068	1.2
271.02490	5.8
273.04028	1.4
299.02026	11.7
309.89929	1.0
317.03015	6.7
317.14258	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	317.0306
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03460	2.4
59.01401	1.4
63.02421	6.9
63.14733	1.6
65.00349	4.2
72.91498	2.1
83.01402	13.2
89.48362	1.6
92.10164	3.7
105.46167	2.0
107.01415	13.9
108.02187	2.3
109.02217	3.2
109.02970	100.0
120.68959	2.0
124.01698	8.2
125.02487	16.3
130.54701	1.6
135.00912	6.6
151.00401	41.1
152.01176	18.8
153.01970	19.0
163.00410	42.5
178.99901	19.9
181.01430	2.2
183.04474	2.4
187.04074	2.3
190.99887	19.2
199.04076	2.2
203.03543	3.6
206.99371	19.2
208.00223	9.8
211.03949	2.0
227.03494	13.3
255.03056	9.7
299.01935	10.6
317.03131	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	317.0302
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.56394	0.4
53.62664	0.4
59.01396	1.7
60.02863	0.4
61.98835	0.5
63.02408	10.4
65.00330	17.0
68.84591	0.4
81.03471	3.1
83.01392	12.3
85.40061	0.5
107.01393	35.9
108.06225	0.5
109.02956	33.8
115.94852	0.4
119.01404	0.7
123.00874	0.4
124.01667	0.9
125.02461	3.1
137.02441	71.0
149.02432	0.5
151.00375	84.2
152.01036	0.4
155.03519	2.5
163.00362	1.8
164.01135	1.8
165.01952	6.2
169.01439	5.4
178.99866	41.7
187.04059	0.5
190.99802	0.7
192.00676	2.9
193.01424	2.6
227.03500	0.7
243.02946	0.7
245.04553	1.1
248.38950	0.5
271.02451	4.6
289.03027	2.1
299.01987	0.5
299.12338	0.5
317.03046	100.0
318.03256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01394	2.2
61.47158	0.6
64.34762	0.6
71.01404	0.7
73.02936	0.6
76.00764	0.6
77.16892	0.6
81.03467	0.8
85.02944	0.8
95.01401	0.7
96.96008	1.0
108.02181	100.0
109.02966	28.3
117.05611	3.4
152.01166	54.4
153.01944	19.4
163.03955	0.8
165.01952	1.0
315.07266	47.0
316.07248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1091
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.02376	0.3
54.00491	0.3
55.30772	0.3
59.01397	5.2
60.98053	0.3
68.35096	0.4
71.01393	1.4
87.74821	0.4
89.02455	2.2
90.28033	0.4
95.05051	0.8
99.88843	0.4
101.02454	0.7
119.03513	0.6
122.03751	1.0
123.04527	100.0
124.04804	0.7
135.04495	3.0
153.05586	94.8
154.05939	0.6
177.08446	0.4
315.10849	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	315.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03939	5.5
56.35184	5.9
59.01389	100.0
72.99291	6.6
93.67937	6.2
96.96014	64.9
109.02943	13.7
123.04543	12.8
135.04500	11.6
153.01968	44.0
153.05577	24.0
216.90953	9.0
254.85640	14.7
288.77731	6.6
315.14651	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	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	41.5
57.03711	2.4
58.17445	1.5
59.01375	100.0
69.03460	4.4
71.01381	4.7
71.05022	3.8
71.14684	1.7
72.99315	7.8
73.02946	8.8
75.00861	56.9
75.01244	2.7
81.03462	7.9
82.95705	2.0
83.05013	33.7
85.02980	3.0
87.00861	2.0
90.39659	1.7
92.63818	1.9
93.03430	2.2
95.05045	9.2
97.02946	2.3
97.06582	3.7
99.04519	7.2
109.06591	3.3
111.08158	2.0
121.06586	4.3
123.04507	2.3
125.06073	3.6
130.31259	1.9
134.41878	1.7
137.06085	11.8
139.07672	4.1
153.12816	2.2
163.07635	4.1
163.11325	2.8
167.10909	2.0
169.12337	3.8
177.75195	2.0
181.08713	29.9
206.54544	2.1
252.53624	2.1
269.17526	11.5
271.15506	3.8
283.11887	8.5
315.01614	3.8
315.14590	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.18554	0.5
52.37834	0.5
55.30560	0.4
57.37042	0.4
70.11120	0.4
75.00906	0.7
81.03474	0.6
85.02966	0.9
90.04371	0.5
93.03477	0.7
106.21955	0.5
108.02179	100.0
109.02959	42.4
121.02895	0.5
133.02980	0.8
135.02986	1.2
151.04005	0.7
152.01164	57.6
153.01944	28.6
163.04066	0.6
165.01956	0.8
216.06241	0.5
248.53476	0.5
257.24118	0.6
315.07281	59.5
316.07654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01381	26.3
59.01610	1.6
65.03980	3.6
71.01382	2.0
73.02975	1.7
85.02948	2.8
85.51900	1.8
96.96005	25.1
104.41917	1.8
109.02948	100.0
109.03686	3.5
123.04539	10.9
130.30876	1.9
135.00925	2.5
153.01959	52.0
153.05586	10.7
190.54399	1.6
220.67049	1.7
232.97604	2.3
254.85770	3.9
279.49481	2.0
297.28473	1.7
315.07233	19.0
315.14508	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25416	0.8
59.01386	100.0
62.64618	0.8
67.35454	0.9
91.02190	2.1
93.00156	1.2
105.56010	1.1
126.30122	0.9
156.07207	0.9
225.15019	2.0
251.23824	1.1
295.19684	1.9
295.22833	36.2
300.63318	0.9
306.53143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0151
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
50.05265	0.4
53.20180	0.3
55.53055	0.3
59.01384	100.0
60.01711	0.9
60.45202	0.3
61.01831	0.4
61.98842	0.4
63.02402	2.3
65.00333	1.0
71.01375	0.6
73.02933	0.6
78.31454	0.5
80.82181	0.4
81.03466	0.4
83.01382	0.6
90.04904	0.4
92.10815	0.8
92.49209	0.4
107.01379	1.7
107.05067	0.5
115.05534	0.6
117.03568	0.4
119.05022	0.6
125.02427	4.0
131.05019	0.9
135.00879	1.8
137.02405	0.5
139.07684	0.6
143.05026	2.7
145.02934	0.9
147.04527	0.7
149.02463	1.9
151.00395	1.8
155.03519	0.5
159.04546	3.4
161.02435	0.7
163.00359	0.9
163.03975	0.6
169.02925	0.9
171.04536	0.8
173.02438	1.9
175.04031	1.0
185.02513	0.4
187.04019	4.5
191.03497	1.7
197.02336	1.0
203.03506	3.7
213.02010	4.2
214.02753	0.9
215.03505	4.5
231.03058	2.7
241.01421	1.9
242.02214	1.8
243.02995	3.3
255.45313	0.4
259.02493	7.9
269.17548	0.5
271.02448	1.8
287.01999	38.1
315.01532	40.1
315.18103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
55.03253	0.7
57.82850	0.6
59.01390	72.6
59.30215	0.6
60.10891	0.6
61.34888	0.7
71.01406	2.9
91.02225	1.2
92.31880	0.6
94.97398	1.0
127.07644	3.3
153.12872	5.1
158.24837	0.7
179.14354	5.3
251.23750	3.0
253.18069	1.0
295.22806	100.0
300.36987	0.7
313.17245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
62.77191	1.0
78.40061	1.1
100.45069	1.2
117.15083	1.3
125.09687	2.1
151.11299	1.7
154.51822	1.2
280.14630	1.2
295.22781	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
93.43971	0.4
111.54115	0.4
113.87707	0.4
119.01112	0.5
152.24478	0.4
154.15952	0.4
154.48012	0.4
156.50397	0.4
208.14346	0.4
256.81839	0.4
288.91684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.10579	0.5
69.33715	0.4
78.33095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29339	0.3
57.03458	1.5
59.01386	100.0
69.03471	0.5
71.01395	0.4
73.02953	0.5
75.00849	0.6
76.58379	0.3
83.05042	1.7
85.02959	1.4
87.00881	1.5
87.04542	0.4
97.06647	0.4
99.04519	0.4
111.08145	0.7
117.65719	0.4
125.06024	0.4
125.09710	0.5
135.08162	0.4
139.04279	0.3
165.09227	0.6
220.78552	0.3
253.14503	0.4
269.13940	0.6
295.11462	0.5
313.12988	2.2
313.16425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12125	0.3
55.97359	0.3
59.01385	100.0
66.06839	0.3
69.20653	0.3
69.51049	0.3
69.96844	0.3
83.24459	0.3
106.70943	0.3
108.12607	0.3
108.13476	0.4
148.88155	0.4
176.86240	0.4
224.42545	0.4
257.36029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.93399	0.3
70.12130	0.3
76.50906	0.3
78.15104	0.3
78.63354	0.3
88.78594	0.4
123.15623	0.3
332.39304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83069	0.6
57.03469	0.4
59.01384	100.0
67.14695	0.5
92.10204	0.6
95.20348	0.5
127.07661	2.2
140.43059	0.5
165.12860	0.6
183.13911	0.7
190.84148	0.5
253.18042	2.5
306.23587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17187	0.2
59.01388	100.0
63.43555	0.3
69.03516	0.3
71.01373	0.3
72.99300	0.4
73.02931	0.3
75.30733	0.2
75.65488	0.3
76.85067	0.3
102.62917	0.3
213.44734	0.3
225.56616	0.3
313.12994	2.3
325.68591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97083	0.3
59.01375	100.0
60.88345	0.3
63.30163	0.3
71.05014	0.9
97.06549	0.4
99.08102	0.5
124.78539	0.4
151.11234	0.4
169.12323	1.7
171.24625	0.4
176.60321	0.3
253.18028	2.5
291.84998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82715	0.9
57.02197	0.8
59.01383	100.0
60.58130	0.8
71.02582	0.8
91.02241	1.2
225.14911	4.1
228.47456	1.1
251.23709	1.5
292.02444	1.0
295.22815	44.4
298.25015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.28218	0.8
57.03464	2.2
59.01386	61.8
71.41459	0.8
73.69920	0.8
75.70896	1.0
79.70596	0.8
83.05036	0.9
106.80139	1.1
127.11328	3.5
155.60170	0.8
165.12857	2.0
183.13972	5.2
184.82407	1.1
209.93222	1.1
211.13429	21.2
251.23602	1.7
254.55487	1.2
295.22824	100.0
296.23102	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04096	0.5
59.01390	100.0
82.96180	0.6
93.64586	0.7
205.51767	0.6
222.50897	0.7
277.63754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10579	0.5
59.01384	100.0
59.51498	0.6
76.55627	0.7
82.10493	0.6
92.05851	0.6
96.64088	0.6
97.19472	0.6
98.08235	0.6
135.42989	0.7
166.53394	0.7
174.70840	0.7
235.67570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.84763	0.4
72.46114	0.4
92.10724	0.5
106.47033	0.4
113.38091	0.4
115.75672	0.4
121.93642	0.5
127.18834	0.5
134.34082	0.5
168.59125	0.5
317.52701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18937	0.6
59.01378	100.0
61.00129	0.8
61.85944	0.7
68.76538	0.7
85.57362	0.8
92.10099	1.8
243.01018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84527	0.2
57.62625	0.2
59.01388	100.0
60.01709	0.3
61.09838	0.3
64.72747	0.2
64.78146	0.3
67.30212	0.3
88.32862	0.3
91.15982	0.3
118.11822	0.3
147.55492	0.3
280.13242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57129	0.3
55.77297	0.4
58.88362	0.3
59.01389	100.0
59.25335	0.3
60.64504	0.3
179.31316	0.4
235.17003	0.5
253.18129	1.6
269.72495	0.5
281.31052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.03908	0.5
120.11333	0.6
127.56866	0.6
128.05133	0.5
159.43112	0.6
167.71454	0.6
217.16031	0.7
227.42757	0.6
253.18094	0.8
311.36520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83039	0.4
58.39766	0.3
59.01384	100.0
69.59705	0.3
71.87542	0.4
83.37094	0.4
143.76611	0.4
144.00883	0.4
310.52872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.97909	0.4
70.35342	0.4
88.66983	0.4
114.40012	0.4
133.84099	0.4
136.01169	0.4
136.41544	0.4
253.18134	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	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.56468	0.3
63.32269	0.4
91.29584	0.3
115.57519	0.3
173.45021	0.4
225.49843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35560	0.5
57.77892	0.5
59.01387	100.0
61.01804	0.8
70.68702	0.5
72.73753	0.5
74.31781	0.5
108.95612	0.5
112.22559	0.5
113.86945	0.7
134.38203	0.5
158.49052	0.6
175.42238	0.6
257.41980	0.6
264.35110	0.7
319.30957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1292
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
50.44042	0.4
51.07287	0.4
54.82311	0.5
57.03443	3.2
59.01376	100.0
63.05685	0.4
64.34061	0.4
67.01889	0.6
69.03426	0.4
71.01376	1.7
71.05029	0.9
72.99296	0.4
80.50714	0.4
81.03450	4.0
83.05014	10.8
85.02930	0.6
87.00880	0.5
87.04501	0.7
95.05035	1.1
97.06517	0.4
99.00851	0.8
99.08144	4.9
109.06561	0.8
111.04521	0.5
121.06602	0.5
123.08141	6.0
125.06047	0.7
125.09682	0.7
125.46469	0.5
127.03997	9.9
137.09750	0.8
143.07193	0.4
165.12865	0.5
167.07179	0.5
171.02945	2.0
189.12836	4.8
191.10890	0.5
207.13890	6.4
225.14859	0.5
233.11783	0.6
251.12927	5.5
269.13989	2.1
295.11911	8.0
313.12955	33.9
313.16144	1.4
318.70618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43157	0.4
52.46443	0.5
54.29654	0.4
59.01384	68.9
68.93986	0.5
91.02214	0.8
119.52805	0.6
149.09763	0.9
157.54863	0.5
169.12260	0.5
183.11804	7.5
185.00746	2.4
185.13358	5.3
189.59802	0.5
231.13911	100.0
240.96104	0.6
313.14041	12.8
313.17203	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	313.166
Annotation	3,3,6-Trimethyl-5-heptene-1,2,4-triol
Peak:m/z	Relative Intensity
54.99372	0.3
55.01894	0.4
57.03459	0.6
59.01391	100.0
62.97910	0.3
71.01396	4.7
72.99323	0.7
73.02956	2.3
83.01401	0.5
85.02967	3.7
92.74244	0.4
93.35678	0.5
101.02457	2.2
107.05038	36.8
113.02441	0.7
117.52242	0.5
119.26793	0.4
151.00392	1.0
151.04018	1.8
152.25697	0.4
161.04564	1.8
183.10202	0.4
221.13681	0.5
235.13358	3.8
253.14386	0.6
269.13550	0.5
313.12894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.62681	0.4
79.69611	0.3
84.25696	0.3
173.44807	0.4
235.16899	0.4
246.48839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01709	0.4
66.55946	0.4
69.96937	0.4
91.60780	0.3
92.10162	0.8
139.74188	0.4
165.12881	4.4
228.92670	0.4
235.16975	0.7
332.55463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42255	0.4
54.00748	0.4
54.06881	0.4
57.16040	0.4
59.01386	100.0
165.12808	0.6
173.55774	0.5
202.46664	0.6
278.58057	0.5
334.31024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.5
60.24346	1.0
66.85769	0.9
68.16072	1.0
71.01378	1.8
76.89734	1.0
79.06913	1.0
83.05036	1.1
86.22959	1.0
87.00874	63.5
99.08153	1.5
134.03741	4.0
136.05324	1.4
137.02383	1.4
138.03230	2.5
139.00383	2.1
142.71619	1.0
145.08736	5.9
149.06119	2.3
150.03246	2.3
151.04005	14.8
152.81438	1.0
153.05553	1.7
154.02730	2.3
165.01968	7.9
165.05577	40.3
166.06358	12.7
181.05086	8.0
181.08684	4.8
225.07718	100.0
277.12970	6.6
313.09268	10.0
313.12665	2.6
315.28040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0932
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
54.82622	1.4
55.01886	3.1
57.03453	1.8
59.01382	30.8
59.01650	1.6
64.10283	1.3
66.53488	1.1
71.01386	23.9
72.99320	2.1
73.02957	8.5
75.00878	5.9
83.01390	2.3
85.02975	12.6
87.00891	1.7
87.19521	1.4
89.02459	2.2
93.03454	62.3
93.04008	2.3
95.01418	1.4
95.05028	1.7
97.02924	1.5
101.02456	10.9
106.04242	2.9
107.05041	38.3
112.97355	1.3
113.02471	9.3
119.05048	1.9
121.02959	6.9
123.04524	16.6
127.71140	1.3
133.02977	2.8
135.04530	11.1
149.02463	15.3
150.03250	6.5
151.04018	89.0
161.04582	3.2
207.35202	1.7
313.09348	100.0
313.12610	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	313.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03451	0.7
59.01387	13.9
61.91269	0.3
71.01383	9.8
72.99305	1.4
73.02948	3.7
75.00874	0.3
83.01386	1.4
83.47491	0.3
85.02950	6.3
95.01375	0.4
97.02966	0.3
99.00875	1.6
101.02449	5.8
107.05035	100.0
113.02463	4.2
151.04050	4.3
159.02980	0.7
161.04558	6.0
283.17633	0.4
313.09296	1.6
313.12967	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97855	0.3
53.73117	0.3
55.00301	0.3
55.76821	0.3
59.01385	100.0
70.82139	0.3
110.53584	0.3
156.33878	0.3
189.16457	2.6
207.17458	0.4
297.80551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
80.94324	0.4
97.06597	0.4
131.01456	0.3
148.18625	0.4
191.10890	0.7
193.12289	1.8
207.17528	0.4
232.23515	0.3
233.15547	0.7
251.16475	0.8
266.19919	0.3
267.18121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
72.74921	0.3
87.25136	0.3
97.65388	0.4
110.87501	0.4
194.53362	0.4
222.31393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.02418	0.3
62.94178	0.3
64.76649	0.2
90.45628	0.3
111.49323	0.3
115.95206	0.3
135.04520	0.4
145.37373	0.3
146.75290	0.3
172.19365	0.4
251.16553	1.3
276.12753	0.3
284.34628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03461	1.0
59.01385	75.4
77.67624	0.7
82.31278	0.9
83.05032	1.4
87.00905	1.1
94.57641	0.7
125.09726	4.7
127.11262	1.0
128.45935	0.8
134.64217	0.8
135.04485	7.6
138.42120	0.8
139.11288	4.3
141.63025	0.9
143.10797	1.2
144.35664	0.8
149.00949	5.3
153.67104	0.7
155.10805	1.8
167.10786	4.6
171.10277	3.2
179.03505	3.2
183.10233	1.0
197.02779	1.1
207.17520	3.9
213.60489	0.8
249.22141	1.2
251.11258	0.9
251.16521	4.5
265.21704	1.0
275.20120	0.9
280.05743	0.8
293.21286	10.0
311.16696	3.2
311.22333	100.0
312.22552	1.1
319.36029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24587	0.3
59.01385	100.0
60.11350	0.4
63.09121	0.3
99.98755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04238	0.2
59.01392	100.0
64.37930	0.2
92.10075	0.5
98.08768	0.3
110.35001	0.3
135.04463	0.4
168.89044	0.3
174.03622	0.3
177.04259	0.3
179.23148	0.3
207.17484	0.3
218.13068	0.3
233.15457	0.4
251.16649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.61175	0.2
79.95740	0.2
98.00096	0.3
99.08145	0.3
114.40015	0.2
115.33543	0.2
135.04529	0.5
149.00948	0.3
183.01213	9.4
196.69273	0.3
211.13426	0.4
225.08699	0.2
311.16937	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	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58942	0.3
59.01387	100.0
60.19025	0.3
66.11896	0.3
72.03094	0.4
72.25408	0.3
163.11298	1.0
181.12442	0.5
196.23836	0.4
233.15614	0.5
284.24628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44527	0.4
58.37270	0.4
59.01385	100.0
60.01764	0.5
67.84193	0.5
71.81520	0.5
79.69716	0.4
133.54816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31348	0.4
54.28931	0.4
59.01390	100.0
63.65548	0.4
65.23302	0.4
92.10796	0.9
211.06953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26047	0.3
59.01385	100.0
66.28194	0.3
67.54715	0.3
73.19740	0.3
75.07609	0.3
114.39069	0.3
127.27847	0.3
171.10318	0.4
207.47752	0.3
207.84773	0.3
311.22238	1.6
317.65375	0.3
327.06339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44390	0.5
58.93358	0.4
59.01391	100.0
62.42822	0.5
62.67122	0.4
71.22610	0.4
77.83865	0.6
82.91942	0.5
106.88173	0.5
130.21889	0.5
141.81299	0.5
157.68918	0.5
220.11122	0.6
221.15475	9.8
233.15480	2.7
251.16612	4.7
325.66260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
66.24507	0.4
95.38425	0.4
134.62149	0.4
179.33658	0.4
251.16524	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	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09204	0.3
51.57375	0.4
57.51867	0.4
59.01386	100.0
63.37722	0.4
65.45198	0.4
71.05039	0.5
80.82632	0.5
101.02517	0.4
102.23656	0.5
151.11319	0.7
198.37712	0.4
198.94443	0.5
217.26076	0.5
279.65445	0.5
290.92487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32922	0.3
55.34372	0.4
59.01386	100.0
59.08063	0.5
63.32800	0.4
64.77056	0.4
65.25537	0.4
113.73015	0.4
144.68909	0.4
178.40666	0.4
208.56790	0.4
234.77956	0.4
235.85956	0.5
251.16406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86636	0.3
59.01384	100.0
61.98833	0.4
81.95618	0.3
88.11867	0.3
91.35776	0.4
92.65927	0.4
251.16565	0.6
280.35626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.02418	0.3
62.94178	0.3
64.76649	0.2
90.45628	0.3
111.49323	0.3
115.95206	0.3
135.04520	0.4
145.37373	0.3
146.75290	0.3
172.19365	0.4
251.16553	1.3
276.12753	0.3
284.34628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83237	0.3
57.02180	0.3
59.01385	100.0
77.66734	0.3
92.10708	0.4
169.12225	0.3
184.32991	0.3
221.15538	1.5
251.16617	0.5
296.65851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
62.61520	0.3
67.39701	0.3
67.74195	0.3
69.55010	0.3
85.66811	0.3
112.46628	0.4
115.02891	0.4
118.38064	0.4
163.11278	1.9
181.12239	1.5
187.65366	0.4
251.16644	1.5
286.68881	0.4
293.17282	0.3
318.79623	0.4
320.33496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01384	11.6
71.01394	5.1
72.99308	8.6
73.02938	1.4
75.00876	3.4
80.28738	0.7
81.81839	0.6
87.00876	31.4
89.02424	6.1
92.09998	0.8
92.37909	0.7
99.00875	8.5
101.02425	1.2
101.77283	0.7
105.01937	34.9
118.11172	0.7
119.05025	95.9
135.03009	0.8
135.04526	5.1
147.03012	6.7
149.04588	8.2
163.04019	51.0
165.04048	100.0
179.03502	2.9
201.86800	0.8
311.08109	2.5
311.11423	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	311.1141
Annotation	Neomajucin
Peak:m/z	Relative Intensity
50.47411	1.0
53.93040	1.0
55.47497	1.3
57.03454	9.7
59.01390	22.0
66.83949	1.2
69.03498	2.3
71.01402	2.2
72.99303	1.3
73.02969	2.6
75.00893	2.7
79.08248	1.1
80.54475	1.3
83.01385	1.3
83.05039	100.0
85.02963	2.2
92.65766	1.2
95.05067	7.0
97.02950	9.5
97.06568	2.2
104.77934	1.3
107.05026	2.3
107.10966	1.3
109.02971	11.6
109.06607	1.3
111.04519	2.8
111.08203	1.3
113.06100	2.9
115.04019	1.8
117.31897	1.4
119.08668	1.7
121.02931	1.6
121.06622	5.5
122.03764	5.8
123.04520	1.8
123.08177	5.3
124.05258	1.7
127.04025	5.3
130.28416	1.2
131.05031	1.3
133.06587	1.7
135.04543	1.5
135.08134	2.9
137.06099	7.3
137.09694	2.1
139.07643	3.0
147.08159	2.8
149.00879	1.6
149.05983	1.6
151.07680	1.9
155.07167	6.4
159.08124	1.3
159.11876	2.4
161.09723	1.3
175.11215	1.5
177.12889	5.7
181.08725	1.4
183.06625	14.5
187.11307	14.8
205.12466	2.2
223.13341	2.0
267.12405	23.9
272.90335	1.4
311.11441	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
59.01379	100.0
67.08096	0.6
71.01372	10.1
72.99297	4.6
73.02955	3.1
75.45935	0.5
77.98647	0.5
83.01375	1.1
85.02955	6.1
87.00873	2.2
89.00670	0.6
89.02441	3.0
91.02230	4.9
92.10714	0.8
96.96001	2.9
99.00877	0.9
101.02429	8.0
113.02457	5.2
115.36207	0.5
161.04546	8.1
168.56921	0.6
192.48375	0.5
225.01312	0.6
251.11371	15.2
311.08014	2.1
311.11423	0.7
313.06732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88044	0.3
55.33185	0.3
56.31207	0.3
59.01383	100.0
62.27298	0.3
84.33630	0.3
96.89112	0.3
112.94817	0.4
129.30681	0.3
142.00069	0.4
173.97325	0.4
193.06335	0.4
193.12364	0.4
233.15456	1.4
251.16487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14073	0.6
54.29994	0.7
59.01393	5.0
59.60603	0.7
71.01405	3.6
71.45217	0.8
73.70364	0.8
77.52517	0.8
93.03446	1.0
99.00900	5.3
119.05026	100.0
132.36377	0.8
147.02997	5.0
149.00835	1.0
163.04019	90.4
165.04123	2.0
311.07864	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01389	37.6
61.38890	1.2
62.69135	1.4
68.85019	1.3
75.64046	1.1
79.68571	1.4
83.05033	1.4
92.10143	1.7
97.06607	1.4
99.08080	1.5
108.02203	1.4
111.06798	1.5
122.03783	1.4
125.09705	2.7
139.07910	1.3
139.11252	2.5
151.03900	1.5
151.07614	2.1
152.08398	5.7
199.09729	2.6
200.10548	5.5
201.11235	2.3
209.15465	3.3
209.24431	1.7
213.11340	2.3
240.13583	1.6
247.20779	3.1
291.19647	23.0
309.17215	8.7
309.20712	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	309.2074
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03458	2.1
59.01387	31.7
59.82743	1.3
70.19759	1.3
76.57799	1.8
89.57686	1.5
102.85934	1.6
117.42780	1.7
125.09725	3.7
137.09845	2.1
141.09251	2.1
151.07669	3.1
152.08434	3.1
153.09238	2.4
155.10744	1.8
156.64651	1.7
168.05827	1.7
171.10258	2.2
178.52106	1.7
197.42732	1.6
199.09789	1.9
200.10493	2.3
201.11319	2.6
209.15474	3.6
247.20647	6.1
251.82185	1.9
263.20093	2.0
291.19669	14.8
309.17337	6.1
309.20743	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32293	1.0
54.82956	1.3
56.92917	1.0
57.03457	2.6
58.00576	1.3
59.01381	42.5
59.88112	1.2
69.03456	6.5
71.01408	1.3
83.05029	2.1
84.88603	1.2
104.22520	1.1
109.06595	1.3
111.08176	2.8
119.08662	21.2
122.03722	2.0
123.00829	1.3
125.09704	8.1
127.11298	3.0
135.08179	2.3
137.09721	29.3
139.11308	1.5
146.87605	1.2
149.09647	2.0
151.03947	2.4
151.07651	6.0
151.11301	2.8
152.08427	6.7
153.09270	1.7
155.10805	4.9
162.10530	7.4
167.10777	4.8
169.95334	1.4
171.10286	100.0
180.07939	2.0
181.12326	1.3
183.10233	5.6
185.11847	30.4
197.11842	11.3
201.11317	3.0
209.15479	8.4
211.13420	2.7
213.11307	8.0
219.17543	1.7
229.19633	1.4
243.26154	1.3
262.15265	1.3
263.20239	1.5
265.18188	2.0
272.35287	1.4
273.18518	8.6
277.17908	1.3
281.17261	1.3
291.16537	2.3
291.19687	43.9
309.17084	22.5
309.20718	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1711
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
52.86844	0.3
59.01388	100.0
64.35003	0.4
99.00879	2.1
124.77035	0.4
130.60895	0.4
132.79892	0.4
143.56079	0.4
167.10788	7.0
193.36928	0.4
209.15349	0.6
221.11270	0.3
249.14941	0.4
299.19562	0.4
309.12021	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	309.2075
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
54.91395	1.0
55.86685	0.9
57.03453	1.1
59.01384	24.9
77.63291	1.0
79.93574	1.0
92.10924	1.2
95.05026	1.9
97.02957	1.3
97.06599	1.8
101.52103	1.2
108.00890	1.0
108.02180	11.0
113.09729	2.3
115.07643	1.9
122.03712	1.4
123.04481	5.5
125.01226	1.1
125.06147	1.4
135.47856	1.1
141.09227	2.0
152.08406	1.9
165.12817	2.7
181.12329	4.7
183.13922	1.5
193.12328	1.3
195.13844	1.4
209.15460	1.8
211.13403	6.7
221.15500	1.3
240.13618	2.7
247.20758	5.3
249.14886	1.1
264.81979	1.2
273.18640	2.0
281.21231	1.8
291.19720	45.8
309.17365	4.5
309.20746	100.0
310.21194	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03480	2.6
58.07348	1.8
59.01383	32.3
62.08347	1.8
69.03465	2.7
71.05043	2.9
74.82168	1.9
80.02708	10.2
81.03468	4.3
83.05036	27.7
84.02200	10.4
97.06600	8.3
99.08190	12.3
109.06625	5.0
115.07674	3.4
125.09767	4.5
127.11263	2.9
137.09731	66.0
139.11310	14.2
151.03989	2.9
151.07645	4.5
151.11317	3.2
152.08405	3.3
153.09212	9.7
155.10796	45.6
167.10793	9.1
171.10269	63.1
180.04356	4.4
193.12349	23.2
209.11813	3.7
209.15520	4.7
211.13161	2.6
247.20631	3.9
263.20215	2.9
265.21875	9.3
291.19678	100.0
309.17200	9.4
309.20709	81.7
309.23407	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	309.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
59.01384	100.0
60.41118	1.8
64.01537	1.4
69.87190	1.4
71.01380	33.1
72.58656	1.6
72.99294	2.1
73.02972	2.0
75.00885	8.1
76.58465	1.8
78.95894	2.2
83.01414	2.5
85.02963	12.2
87.00834	2.0
89.02440	38.8
90.07652	1.5
93.70164	1.5
95.01390	2.0
96.07847	1.6
96.96016	7.8
96.96951	3.5
99.04513	1.8
101.02441	25.8
103.45408	2.0
111.04604	2.5
113.02474	16.3
119.03503	11.7
129.05598	11.2
146.08168	2.3
161.04588	3.1
168.89078	1.5
186.43919	1.7
237.06168	3.1
249.09814	2.3
253.18364	2.3
309.11966	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17455	1.8
57.03475	2.5
59.01394	100.0
60.56318	2.0
63.23049	1.8
74.96199	5.3
76.57871	2.1
83.05048	20.6
85.23722	2.1
92.91439	2.5
99.08160	4.9
104.57304	1.9
108.11122	2.2
111.08189	2.9
125.09727	44.1
127.11301	5.0
137.09703	5.8
139.11259	3.3
140.55022	2.2
152.08331	2.7
165.12857	3.0
191.05696	2.5
207.17557	57.3
209.15488	5.1
231.13936	2.9
249.13445	4.8
251.16539	83.1
265.13525	5.8
278.67633	2.4
309.12415	28.9
309.17230	5.5
309.20798	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	309.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86885	0.2
54.06124	0.3
59.01385	4.3
61.56081	0.3
72.73261	0.3
74.63863	0.3
89.75537	0.3
92.10755	0.7
95.37270	0.3
130.45197	0.3
148.05313	49.7
149.05949	0.3
152.08382	0.4
165.05559	0.5
179.01723	6.8
180.04292	100.0
181.04680	0.6
209.15422	0.5
257.15497	0.5
309.15094	4.0
309.20630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42908	0.3
52.47672	0.4
54.89331	0.4
59.01385	100.0
62.06033	0.4
66.84676	0.3
71.01374	0.8
86.14693	0.4
89.02443	1.7
92.10072	1.0
101.02440	0.8
101.57941	0.4
179.83394	0.4
180.29082	0.5
199.60710	0.4
238.09294	0.4
307.14117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47421	70.5
52.03921	49.7
55.78563	60.6
59.01382	100.0
63.37143	52.1
63.71385	54.1
75.81671	56.6
77.74280	57.8
77.75178	52.2
78.49720	61.4
81.36752	55.7
83.09238	60.5
83.57775	57.1
93.57787	56.6
175.61913	79.0
183.57101	64.8
271.15454	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	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.82851	0.3
55.71020	0.3
58.40477	0.4
61.01790	0.3
70.98705	0.3
113.09637	0.4
138.78763	0.3
167.86134	0.3
289.47079	0.4
307.22845	100.0
308.23190	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	309.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	0.7
61.88448	0.5
68.93565	0.6
72.99286	4.4
81.81709	0.6
86.71892	0.6
88.98805	1.4
100.43182	0.5
109.06586	0.8
126.21333	0.6
143.08673	3.2
145.10226	18.3
151.07631	1.4
157.10252	4.7
159.08171	1.2
163.11243	2.6
173.09784	2.5
175.11299	17.8
193.12318	1.4
219.10318	1.4
237.11343	3.1
241.39694	0.6
265.10809	4.1
309.09848	100.0
328.40738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65797	1.0
72.99323	4.2
88.98801	1.0
99.04420	0.9
114.40923	0.8
118.77298	1.1
143.08670	3.3
145.10239	16.8
157.10204	1.8
159.08115	1.5
163.11314	1.4
173.09750	1.4
175.11295	16.8
193.12300	1.4
202.51067	0.8
219.10228	1.3
231.11351	0.8
237.11322	3.2
265.10873	3.6
307.34698	0.8
309.09848	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	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.00331	0.8
55.01888	1.8
57.03466	0.9
58.00600	1.6
59.01384	100.0
61.96125	0.8
71.01380	36.3
72.99311	4.9
73.02946	17.4
76.74315	1.0
77.57331	0.9
78.69160	1.2
82.86777	1.0
83.01405	1.9
83.05039	1.7
85.02952	11.0
89.02441	34.7
89.02994	1.2
92.10179	1.1
95.01397	5.4
96.45216	0.9
96.96004	1.1
99.00858	1.9
101.02442	23.5
111.04507	2.1
113.02440	14.8
117.01936	27.4
119.03497	11.6
129.05583	14.1
137.51448	1.0
147.06633	7.5
161.04526	1.6
191.05630	5.5
213.42480	1.0
288.43210	1.0
298.44620	1.0
309.11963	91.4
318.73676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
60.47739	0.3
69.03465	0.6
85.02953	2.4
103.48954	0.3
107.05025	0.7
111.04548	0.5
112.14220	0.3
113.02435	3.8
133.02946	2.6
134.03748	3.3
135.04529	100.0
145.05080	0.7
161.02443	4.3
175.09752	1.9
179.03517	65.9
180.03857	0.4
202.74860	0.3
289.07428	1.4
307.08316	8.6
307.14026	0.6
307.17624	0.8
318.21518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
59.96751	0.3
74.99072	5.7
90.39365	0.3
91.02193	3.4
92.10133	0.7
93.00123	5.2
132.64088	0.3
149.00949	4.4
150.13609	0.3
159.08461	8.2
161.06389	3.4
185.29231	0.3
192.98074	0.4
206.99754	2.2
209.01292	3.3
217.07201	0.6
222.44980	0.3
223.02863	53.3
225.00885	0.4
241.03955	0.8
243.41234	0.3
275.05936	0.4
289.07697	2.3
291.09140	100.0
292.09189	1.3
307.12314	3.2
307.19217	0.4
309.10168	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	307.1402
Annotation	NSC-224070
Peak:m/z	Relative Intensity
56.86715	1.3
57.74423	1.3
59.01387	52.9
61.16867	1.2
71.01379	19.3
75.96465	1.2
76.62839	1.2
85.02965	3.2
87.00906	1.5
89.02453	23.2
95.01422	1.4
99.08167	26.5
101.02460	12.0
113.02476	6.5
119.03503	6.0
127.07669	6.3
129.09174	2.0
135.88609	1.6
140.93855	1.3
141.09256	2.5
145.08713	70.1
156.00560	1.4
307.14029	100.0
310.33731	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.52179	1.6
58.33248	1.5
59.01393	7.6
64.53246	1.5
65.94747	1.5
76.14090	1.6
80.95702	1.7
92.10783	5.5
138.88899	2.0
141.01663	2.1
305.24896	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	306.998
Annotation	(R)-Mevalonate 3,5-bisphosphate
Peak:m/z	Relative Intensity
63.56749	0.1
66.50038	0.1
67.21265	0.2
71.01385	0.4
75.59550	0.2
78.95906	0.4
79.95747	1.5
94.83236	0.2
96.96004	100.0
98.95565	1.2
99.00915	0.2
112.98796	0.7
114.39394	0.2
115.00324	0.2
133.01428	0.3
133.05034	0.2
142.99840	0.7
163.66423	0.2
173.00916	0.2
173.04588	0.2
191.10863	0.3
209.06709	0.2
247.29443	0.2
259.15591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0827
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
57.03450	0.9
59.01391	1.6
71.05036	1.2
72.99304	20.7
85.02968	1.6
87.33164	0.9
101.02478	1.2
104.41537	0.9
107.05040	1.6
109.06607	8.1
114.39792	0.9
115.87073	0.8
120.05820	1.4
121.06573	9.5
123.08176	1.9
133.06604	4.4
135.08167	5.2
147.08182	1.8
149.06097	5.8
149.09723	23.2
158.07387	10.6
161.06136	1.5
162.03246	5.9
163.07669	4.6
163.11284	1.8
173.06107	1.1
173.09715	55.3
174.06859	5.4
175.04027	1.3
175.07646	4.4
176.04802	1.8
176.08446	5.6
177.05582	16.6
189.09218	2.1
191.07175	6.8
191.10797	29.6
201.09201	1.5
203.07127	4.3
214.28452	0.8
219.10130	2.0
219.31760	0.9
245.08272	1.2
263.09256	6.1
307.08279	100.0
308.08679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.8
57.03450	5.9
58.00588	1.5
59.01386	100.0
59.55748	1.3
61.98846	1.8
71.01386	38.5
71.05041	1.6
72.99309	1.6
73.02961	6.1
81.03483	1.6
81.07111	6.2
83.01408	3.1
83.05051	1.4
85.02961	15.2
87.00880	2.1
87.04523	5.0
89.02444	30.4
97.02949	1.4
99.04510	3.0
101.02460	22.6
101.06028	1.5
102.01469	1.4
109.02952	1.9
113.02444	12.4
119.03509	13.1
125.02478	2.3
125.06068	2.1
127.07679	1.6
137.02449	2.6
138.05586	1.6
143.07083	1.6
161.04597	2.2
173.11710	4.5
201.11304	5.4
219.12440	24.0
232.92522	1.6
261.13394	6.6
305.12497	23.3
305.19638	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	305.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58225	46.0
53.40279	53.8
71.05018	77.4
73.42634	53.9
101.20483	52.3
129.10112	56.1
267.15863	100.0
302.41913	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75085	11.5
59.01389	100.0
63.36758	12.5
68.19043	13.2
69.52646	13.8
73.76464	12.2
77.99368	15.3
112.15678	13.7
114.40227	14.9
163.11288	19.3
193.91008	15.2
223.13412	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45475	37.1
50.64941	36.8
59.01395	100.0
62.35721	41.6
64.62350	38.1
65.96469	42.4
100.79644	39.0
186.79118	48.9
247.83698	49.2
306.25305	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60949	8.4
59.01385	100.0
69.02880	7.7
87.37376	8.3
92.10825	18.6
122.03764	12.4
141.01700	43.2
193.15973	29.7
213.83859	10.5
235.17050	42.7
305.17697	17.2
305.21436	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	305.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60949	8.4
59.01385	100.0
69.02880	7.7
87.37376	8.3
92.10825	18.6
122.03764	12.4
141.01700	43.2
193.15973	29.7
213.83859	10.5
235.17050	42.7
305.17697	17.2
305.21436	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	305.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21699	6.6
51.05518	7.9
52.19384	8.1
54.51952	6.8
59.01384	100.0
61.98838	8.0
69.72453	9.1
71.01393	13.4
73.19482	7.6
92.10258	12.5
96.96004	55.8
97.02947	7.9
98.95578	94.5
98.96172	8.2
98.96464	7.7
99.92577	69.2
111.74567	7.5
115.92059	39.5
116.92850	14.2
125.02459	13.0
127.07650	11.3
130.08759	15.9
145.98779	9.7
148.93436	8.4
173.08191	58.2
199.00711	47.4
219.12302	13.5
278.25061	8.4
305.12332	43.2
305.15811	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2284
Annotation	Samandarine
Peak:m/z	Relative Intensity
51.31208	0.6
54.82931	0.7
59.01385	4.1
63.51308	0.7
63.53703	0.7
65.32275	0.6
72.36874	0.7
86.06113	43.8
105.70403	0.9
125.89010	0.7
129.42546	0.8
131.80453	0.8
141.01657	1.0
164.15565	0.7
166.99818	0.7
167.34863	1.0
172.88336	0.9
200.54935	0.8
230.51501	0.9
232.76637	0.8
291.66129	0.9
304.22858	100.0
305.23203	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	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
55.68623	0.7
55.73990	0.7
57.03462	9.7
67.66360	0.9
69.03461	0.9
70.79079	0.8
74.69144	0.7
81.03462	3.9
83.01410	5.1
85.01085	0.8
89.98465	0.9
92.97632	0.8
93.03433	3.1
95.01397	3.3
95.05022	6.0
97.02971	4.9
107.05025	1.1
109.02946	18.2
111.04539	5.6
121.02964	2.0
123.00890	7.5
123.04546	1.4
124.01683	4.8
125.02436	100.0
135.04529	1.4
137.02432	26.5
138.03273	3.4
139.04013	25.7
139.04997	1.6
145.06653	1.1
146.03902	0.9
147.19504	0.8
149.06129	1.7
151.04037	1.1
161.02498	3.3
164.01128	7.3
165.01930	17.5
166.02640	1.5
167.03491	22.8
173.05922	1.3
175.04015	1.6
176.04846	1.4
177.01933	1.7
177.05605	4.8
179.03493	14.4
191.07271	1.2
196.77255	0.9
201.05576	1.5
203.03549	1.1
219.06659	14.2
221.04463	6.2
243.06715	0.9
261.07730	4.8
305.06741	44.0
322.97202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68973	0.7
53.67051	0.9
61.68837	0.8
66.02793	0.9
68.82520	0.9
70.69438	0.8
74.69393	0.8
79.14722	0.9
82.40972	0.8
92.10822	1.7
104.99201	0.8
111.04539	1.8
131.13312	1.0
138.56328	1.0
303.23328	100.0
304.23636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78143	0.4
54.08882	0.3
67.38222	0.4
74.34468	0.5
82.97292	0.4
92.10048	0.8
99.04522	2.2
141.98462	0.5
229.82263	0.5
303.23337	100.0
304.23694	2.3
307.55627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55766	0.7
59.63541	0.9
64.35082	0.8
66.55276	0.8
75.36496	0.7
98.53669	0.9
118.54517	0.9
303.23334	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18897	0.5
54.60826	0.5
59.01394	69.4
60.01726	8.9
60.89077	0.7
61.98842	100.0
63.65644	0.6
72.12715	0.6
79.84827	0.6
80.55667	0.7
101.99407	0.6
115.02547	0.9
116.02660	1.6
117.00478	1.2
117.02266	1.6
117.94999	0.6
118.00580	2.8
118.36112	0.7
119.00187	4.9
134.97098	1.0
159.01521	8.5
160.01625	20.5
161.01202	20.6
161.98969	16.3
162.01537	4.6
167.63905	0.7
201.02626	1.6
202.02821	5.0
203.00595	0.7
203.02306	5.6
203.63548	0.7
203.99968	4.1
204.02861	1.3
262.01627	1.4
303.02576	1.0
304.00006	9.0
304.02808	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	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82991	0.5
58.02987	74.5
68.65849	0.5
78.55688	0.5
87.85510	0.6
92.10148	0.7
105.76743	0.5
108.72791	0.5
112.78900	0.6
164.40668	0.6
168.13951	100.0
173.12973	0.5
212.12984	3.4
304.19351	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52674	1.3
53.93674	1.1
55.01894	2.8
56.34895	1.2
57.03459	13.8
57.23843	1.3
58.00605	3.1
59.01384	100.0
65.00346	1.3
69.03446	2.5
71.01398	6.0
71.05038	2.5
72.99326	6.4
73.02959	9.2
78.89480	1.2
81.03458	2.9
81.13496	1.3
83.05031	47.9
93.03484	1.7
95.05051	7.6
97.06584	36.0
99.04540	2.4
106.04277	5.9
107.04987	1.4
109.06627	10.1
113.06135	2.3
121.06585	15.6
123.04456	1.5
125.02439	16.6
125.09730	2.0
139.11314	1.7
155.10799	15.3
167.03490	1.6
167.10768	2.0
171.10077	1.7
175.03955	2.3
179.10887	1.8
187.09772	1.8
199.09837	2.0
217.10825	6.8
235.25749	1.4
241.05179	1.7
243.12466	2.6
267.16068	1.6
273.17126	2.5
285.04010	5.9
288.91415	1.8
303.05136	1.7
303.14612	5.3
303.18115	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1814
Annotation	oscr#10
Peak:m/z	Relative Intensity
56.66938	4.6
57.03465	20.3
59.01381	100.0
71.01380	10.8
73.02946	22.2
83.05016	7.4
87.04512	25.6
97.06551	7.2
99.04508	37.4
109.06592	6.2
111.08176	6.9
113.47819	5.6
115.18003	4.8
121.06631	5.5
139.07657	6.0
157.08696	6.8
169.08673	8.0
170.66792	4.9
289.21915	5.9
303.18112	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	303.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.3
57.03447	12.3
58.00594	9.6
59.01376	100.0
64.36301	1.4
69.03451	7.9
71.01373	2.3
71.05027	2.3
72.99296	8.0
73.02956	1.9
81.03438	3.6
81.84842	1.5
83.05018	58.2
85.42411	1.3
87.04521	1.9
92.10822	6.3
95.05013	9.7
97.06580	43.2
99.04474	1.9
106.04261	2.4
107.04976	2.0
107.93667	1.4
109.02981	1.6
109.06586	9.6
111.04503	1.8
121.06566	16.8
123.04514	3.1
123.08154	2.1
125.02416	10.0
132.63864	1.5
139.04016	1.9
139.07625	3.1
167.10634	2.1
169.12766	1.9
209.11800	1.5
211.05173	1.7
266.29700	1.4
285.04135	2.6
303.17960	7.7
305.12186	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	303.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89565	1.7
53.56055	1.5
54.25336	1.7
57.98124	1.8
59.01376	26.5
64.49638	1.9
64.49986	1.9
69.03452	24.3
76.74232	2.0
84.15089	1.9
85.90251	2.3
92.10761	4.7
93.28428	2.2
113.02445	31.7
151.64783	1.9
175.83984	2.4
179.63477	2.0
180.62009	2.4
221.15523	100.0
259.20853	2.8
303.15863	36.8
303.19659	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	303.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09851	19.9
56.42981	18.3
56.58937	18.8
59.01398	100.0
59.64312	19.9
65.04314	20.5
267.15878	36.1
287.93948	23.7
297.61752	26.7
326.13037	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09851	19.9
56.42981	18.3
56.58937	18.8
59.01398	100.0
59.64312	19.9
65.04314	20.5
267.15878	36.1
287.93948	23.7
297.61752	26.7
326.13037	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34639	1.1
55.01889	1.8
57.03457	17.2
58.00613	3.2
58.95692	1.0
59.01386	29.3
69.03456	18.8
71.01408	8.6
71.05013	14.4
73.02965	7.6
81.03072	1.6
81.03445	12.4
83.05028	10.9
84.02190	7.7
85.02949	10.8
85.06581	3.2
87.04516	17.2
88.06853	1.2
89.02472	1.5
91.05531	2.1
92.10867	2.3
93.03479	3.1
93.07120	5.7
95.05054	6.1
97.02973	2.9
97.06590	21.8
99.04529	7.5
101.06165	1.4
101.91628	1.3
107.05054	15.1
109.06594	100.0
111.04526	1.6
111.08183	5.4
113.06108	2.5
115.03986	1.7
115.07656	2.5
117.05602	1.7
121.06584	9.6
123.04559	1.9
123.08203	2.0
125.02439	2.3
125.06136	1.9
127.07627	10.8
137.02444	3.0
139.07687	7.7
140.00572	1.6
155.07079	1.7
155.10771	1.4
161.09793	1.9
164.08408	1.6
167.10762	5.8
175.09760	2.9
179.10760	9.8
185.11813	23.8
197.11842	28.4
209.12047	1.3
215.12947	14.4
225.11417	1.4
243.12393	23.0
303.11020	2.0
303.14594	10.4
303.18082	56.8
303.21420	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	303.1815
Annotation	oscr#10
Peak:m/z	Relative Intensity
57.03455	40.8
57.30929	3.1
59.01382	66.2
69.03471	12.4
71.01382	34.6
71.05022	11.4
73.02942	100.0
81.03460	9.0
81.07103	9.6
83.05028	17.9
85.02959	15.0
85.06575	4.0
87.04530	16.2
93.03432	2.5
95.05019	10.7
96.96012	24.8
96.96572	3.0
97.02956	3.6
97.06601	15.1
99.00891	3.9
99.04512	39.4
101.06082	5.2
103.03997	11.0
109.06625	10.4
111.08191	3.8
113.06081	9.3
115.04057	2.7
121.06590	4.8
123.08164	5.8
125.06128	3.2
127.07656	11.5
133.10252	4.5
139.07645	9.9
149.09676	3.9
151.11331	18.3
157.08704	2.5
167.10960	3.2
181.12390	3.9
199.13364	21.8
203.12868	3.7
211.13367	3.0
215.12953	3.2
273.17136	12.3
285.16962	3.2
303.09088	9.3
303.14661	7.6
303.18170	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74212	0.4
51.19726	0.4
54.26704	0.4
56.92868	0.5
57.03451	20.6
59.01387	5.7
60.87846	0.4
63.02413	1.0
65.00326	6.0
69.42648	0.5
78.82697	0.5
78.83244	0.5
81.03500	0.8
83.01379	9.1
83.05059	0.6
93.03457	1.2
94.10117	0.5
107.01391	6.3
108.02211	0.9
109.02976	4.9
111.00914	0.7
121.02939	2.1
122.03712	0.7
123.04510	7.9
124.01648	4.2
125.02441	100.0
137.02428	1.0
139.04019	2.3
143.05095	0.7
146.03720	0.8
147.04558	2.3
149.02415	5.5
150.03214	7.3
151.00385	12.5
151.04025	9.4
152.01149	8.8
153.01950	12.2
161.02440	1.0
161.06111	1.2
171.04480	0.6
171.71902	0.5
173.02356	0.8
174.03206	5.4
175.04001	15.9
177.01949	11.8
178.99878	7.2
181.01457	1.1
187.03967	0.8
188.04799	2.6
189.05501	5.2
193.05006	3.2
197.93301	0.6
199.04022	7.8
201.01945	3.4
213.05592	2.2
215.03682	0.6
216.04323	0.6
217.05067	10.0
231.06587	0.8
241.05098	5.6
243.02898	0.8
257.04825	0.8
259.06073	4.7
275.05722	5.0
285.04071	44.6
286.04376	0.7
303.05270	5.7
303.18127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13827	72.5
63.41569	89.4
71.82555	98.2
91.07869	86.6
174.33304	100.0
251.34120	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24708	11.4
52.01694	13.2
59.01381	100.0
65.97343	12.7
75.08610	13.9
98.61697	14.1
102.99454	16.5
122.03802	15.1
123.04603	15.8
127.52925	14.3
181.74438	13.6
189.16498	18.6
200.22618	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	303.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81619	13.7
58.28953	16.4
59.01386	100.0
74.39648	14.9
92.10147	39.4
93.69542	15.2
102.33709	15.7
141.83029	17.4
145.33546	19.7
232.53664	18.2
233.88417	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	303.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27169	0.2
57.92710	0.2
59.01379	0.6
72.99303	2.1
77.56557	0.3
79.95743	1.7
92.10097	0.3
96.96009	100.0
99.08100	0.3
115.07643	3.0
124.07301	0.3
129.05577	1.9
132.98195	0.5
137.02489	0.3
138.87138	0.2
143.07135	1.4
144.76859	0.3
151.23578	0.3
171.61238	0.3
172.29900	0.3
177.61566	0.3
185.01328	1.4
190.98619	0.3
197.24850	0.2
199.02956	0.5
203.02394	1.0
205.07216	3.4
217.03969	0.6
227.02466	2.9
245.03468	1.8
247.05006	3.7
291.03995	0.3
296.67746	0.3
303.04037	1.7
323.58444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
51.68761	0.6
51.71856	0.5
53.50565	0.6
59.01378	4.6
61.98839	3.1
62.61520	0.6
68.41621	0.5
78.06095	0.6
112.72964	0.6
113.30669	0.7
114.80819	0.6
151.00360	2.2
219.97736	0.8
235.72639	0.7
269.19202	5.5
299.20148	1.2
301.03589	0.8
301.21762	100.0
302.22052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79056	0.2
59.01379	0.3
66.73273	0.2
67.65522	0.2
72.97333	0.2
76.48732	0.2
78.95913	1.3
79.95735	1.9
93.85847	0.2
96.96007	100.0
134.20361	0.3
142.99878	0.4
147.71538	0.2
160.60194	0.3
173.00890	0.3
179.89293	0.2
244.63541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82497	0.5
57.03435	0.5
57.52183	0.4
59.01373	2.2
71.01369	6.8
78.95893	100.0
79.95727	1.1
83.01376	0.6
85.02943	11.0
87.00868	3.1
93.03445	3.7
96.95990	67.8
96.96943	43.8
99.00858	2.7
100.83719	0.4
101.02431	0.5
110.97624	3.0
110.98523	49.5
111.00874	2.2
112.98770	5.0
115.00356	0.6
120.72485	0.4
121.91117	0.4
124.98770	2.3
127.03973	2.4
137.02441	0.5
142.99855	33.5
173.00880	17.3
173.04456	0.8
189.32994	0.4
191.05611	77.3
205.03510	2.5
295.42871	0.5
320.16721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	oscr#3
Peak:m/z	Relative Intensity
55.76833	2.5
57.03453	37.2
57.18448	2.3
57.43139	2.4
59.01386	80.4
69.03477	17.1
71.01395	14.5
71.05032	14.3
73.02949	36.9
79.05537	6.3
83.05033	43.7
85.02962	5.1
92.10795	3.3
95.05033	4.3
97.02960	5.5
97.06603	17.3
99.04520	15.5
105.60278	3.0
109.06636	7.1
111.08166	12.0
113.30910	2.9
127.07656	16.4
129.05516	5.1
137.09729	22.7
141.05605	6.5
143.23618	3.5
155.07175	5.7
165.61349	3.5
173.08174	4.7
207.13925	14.9
227.07260	4.0
240.04295	7.3
255.06686	23.3
267.27316	3.3
269.13974	19.1
270.08981	6.7
291.62061	3.5
301.16577	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	301.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00965	0.3
52.98565	0.2
53.75544	0.2
58.10624	0.3
60.97519	0.7
74.99078	0.4
78.66811	0.3
95.79424	0.3
134.99399	7.6
136.97363	3.3
143.05406	0.4
159.08525	2.0
161.06410	8.0
185.83157	0.3
199.92609	0.4
201.04210	0.7
203.05692	4.6
205.03622	1.9
214.33771	0.3
215.05704	1.4
217.07243	100.0
218.07266	0.8
222.97234	0.4
235.08374	0.4
259.19513	0.4
261.06247	0.5
285.13513	39.6
301.16638	85.7
302.16867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
59.01392	0.8
61.40567	0.7
63.19915	0.6
73.54472	0.6
77.51678	0.7
79.61890	0.6
85.88439	0.6
103.96635	0.7
105.62458	0.7
107.60546	0.7
143.24228	0.8
151.00345	0.8
301.03415	0.7
301.21762	100.0
302.22000	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	301.1599
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
55.13285	0.4
57.60897	0.4
58.58130	0.5
59.01389	3.2
61.98856	0.5
81.33564	0.5
121.02956	0.7
143.03835	0.5
151.00368	0.8
181.27844	0.5
181.68582	0.6
223.90018	0.5
235.22714	0.5
286.13467	1.9
297.36252	0.5
301.03448	2.2
301.16016	100.0
302.16415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	oscr#3
Peak:m/z	Relative Intensity
54.78177	3.0
55.01894	5.9
56.41894	2.4
57.03444	44.7
58.00605	2.6
59.01384	65.2
61.30289	3.0
69.03474	19.0
71.01402	20.5
71.05029	11.6
72.99327	4.5
73.02961	33.9
75.00881	2.6
78.96329	3.1
81.03480	17.1
82.42418	3.0
83.05025	22.7
84.02181	5.0
85.02976	18.5
85.06596	6.5
87.00896	3.4
87.04519	7.8
92.10122	3.3
95.05043	19.1
97.02960	13.0
97.06586	31.7
99.04546	22.0
107.05033	18.4
109.06614	18.2
111.04541	4.1
111.08160	13.2
113.06102	16.6
121.06622	5.9
125.06081	24.1
127.07652	5.6
135.08139	6.9
137.06076	3.9
137.09740	24.9
139.07683	5.5
141.05635	4.1
147.08153	5.2
149.09671	3.4
153.09222	5.8
153.46503	2.8
157.08772	8.7
165.09155	16.5
169.08641	3.4
173.08232	11.9
175.11192	4.5
180.35486	3.6
183.10286	4.2
195.10257	4.4
207.13808	3.3
217.12386	3.9
217.50037	3.0
222.17993	4.0
241.91763	3.3
269.14014	3.6
283.15640	4.0
301.16516	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	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85144	1.1
57.03460	9.7
58.99987	1.2
59.01391	27.5
59.25282	1.1
61.00892	0.9
63.02415	11.9
65.00334	26.3
66.80224	1.0
71.01387	2.9
71.05058	1.5
73.02963	1.8
78.63094	1.1
83.01411	13.7
83.05042	100.0
85.02963	1.4
92.10706	1.7
93.03481	7.8
94.42324	1.2
96.96003	1.3
97.06596	1.5
97.19295	1.3
102.82539	1.3
107.01408	38.0
109.02974	1.9
109.06604	1.8
109.80642	1.3
121.02963	31.6
124.01611	1.4
139.04022	2.9
149.02426	5.7
151.00385	87.4
161.02383	1.6
163.04016	2.1
164.01143	1.3
169.01453	5.0
175.04033	1.5
178.99892	24.9
184.64404	1.2
245.04584	1.9
269.39484	1.5
273.04019	2.9
301.03583	94.0
301.16687	2.8
302.03802	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.20650	0.8
58.97443	0.9
63.02408	13.9
65.00334	22.2
68.54834	1.0
74.50345	1.1
82.37283	0.8
83.01396	11.0
88.55024	0.9
92.65816	1.2
93.03468	7.1
97.09132	1.0
97.59270	1.1
104.22890	1.0
107.01401	36.4
109.02969	4.5
121.02961	31.7
128.08406	1.0
138.69142	1.1
139.04022	2.3
149.02483	5.2
151.00385	85.4
163.03975	1.4
164.01140	1.4
169.01459	2.1
178.99861	28.0
193.01454	2.2
229.05042	1.3
245.04619	2.2
273.03912	6.5
301.03586	100.0
314.62262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0932
Annotation	Tachioside
Peak:m/z	Relative Intensity
59.01392	7.0
59.71447	0.5
71.01400	2.4
74.99111	1.4
75.48545	0.5
89.11497	0.6
94.83334	0.6
95.01389	6.1
96.96011	11.5
99.06506	0.6
101.02463	0.9
113.02467	0.9
119.05061	0.8
121.03010	2.5
123.00902	100.0
124.01705	5.8
137.02460	1.2
138.03247	45.4
139.04027	8.9
149.02472	0.7
161.04552	1.2
163.03984	0.7
166.02806	0.7
181.05109	3.8
190.41159	0.6
193.04944	1.2
196.39656	0.7
241.08360	5.3
301.09427	1.4
323.89859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21872	1.1
59.01389	29.4
61.20659	1.3
71.01393	2.3
74.99116	2.9
85.02958	1.9
93.03486	1.7
95.01400	6.8
96.96012	68.2
121.02989	2.8
123.00890	100.0
124.01671	2.7
135.04669	1.4
136.99126	2.4
137.02435	2.0
138.03249	52.2
139.04036	18.4
151.05193	1.8
158.99832	1.5
181.05078	2.1
222.32492	1.3
241.08354	25.4
250.12254	1.5
290.75284	1.4
299.17593	1.3
301.09491	1.5
301.12952	1.7
301.16357	1.6
321.41937	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	301.1599
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
52.68925	0.7
59.01390	4.6
61.98846	4.7
79.68196	0.7
89.84097	0.6
92.10735	1.5
107.01385	1.6
121.02932	1.4
134.95523	0.7
151.00414	3.5
202.55090	0.8
241.83209	0.7
256.61832	0.9
271.11337	20.9
286.13663	76.1
300.26315	1.7
301.00027	1.3
301.03329	2.9
301.16031	100.0
301.26505	1.7
302.16394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26661	0.3
69.03458	0.5
71.01413	0.6
74.69949	0.3
75.85562	0.3
79.95757	0.9
87.77956	0.4
96.96019	100.0
97.02990	0.4
105.27395	0.4
163.49377	0.4
197.75270	0.4
203.01984	3.0
224.37930	0.4
247.64854	0.4
293.03564	0.4
301.02390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.47173	0.3
59.01385	35.0
61.98832	0.4
69.31900	0.3
69.32294	0.3
79.95734	14.7
95.95232	13.4
96.96011	100.0
100.69416	0.4
103.71228	0.3
121.38800	0.3
132.98166	0.5
169.12430	0.6
174.99254	8.1
201.02573	0.5
211.50610	0.4
217.00334	20.0
271.02478	0.6
299.13254	97.9
300.13550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74970	4.0
56.34178	4.4
57.03464	6.5
57.17353	4.3
59.01385	100.0
63.48070	4.3
73.52702	5.1
75.00871	9.3
99.04530	7.7
172.56279	5.0
174.99277	12.4
195.13855	10.3
217.00369	39.2
239.12872	11.3
271.02515	22.3
299.02237	19.0
299.14929	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	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85086	1.6
57.03468	2.8
57.74056	1.6
59.01384	100.0
73.02969	2.5
76.57387	1.9
78.98613	9.4
94.98106	2.2
97.31554	2.1
121.90726	1.8
167.14418	8.3
174.99277	15.9
211.13487	3.8
217.00327	41.3
239.12878	3.1
299.01712	2.5
299.13016	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
52.37189	0.2
54.83061	0.2
55.43263	0.2
55.61234	0.2
56.76082	0.2
59.01389	1.5
65.70226	0.2
66.44381	0.2
68.34774	0.2
101.67428	0.2
110.39738	0.2
146.04266	0.2
168.75328	0.2
174.99266	0.3
217.00240	0.5
297.83942	0.2
299.20200	100.0
300.20538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
52.46685	0.5
55.01889	1.2
57.03456	3.0
58.00607	2.2
58.50701	0.5
59.01384	100.0
71.01380	44.8
72.99313	3.4
73.02966	2.9
83.01414	1.2
83.05066	0.8
85.02953	11.7
87.00879	1.5
88.76034	0.6
89.02443	46.7
95.01389	3.5
101.02443	18.3
107.05026	1.2
113.02450	14.3
117.00918	0.7
119.03510	19.0
119.05002	13.2
125.06068	1.0
131.03526	1.0
137.06068	4.2
143.03474	1.3
149.04559	0.8
161.04576	1.1
177.09157	0.9
179.05659	1.0
210.63680	0.6
232.29199	0.6
299.11386	9.9
299.15015	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	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
54.72636	0.3
55.01892	0.8
57.03181	0.3
57.03449	0.6
59.01385	11.0
60.58691	0.3
71.01379	10.3
72.99301	0.5
73.02962	2.2
81.03482	0.7
83.01373	0.8
83.18933	0.4
85.02950	4.4
89.02461	3.5
91.98497	0.4
93.03460	4.3
95.01401	0.7
96.69869	0.4
101.02435	4.7
106.04256	6.1
107.05035	1.8
108.02155	0.5
113.02451	3.2
119.03546	0.6
119.05034	7.2
135.04555	0.5
136.01683	0.7
137.02472	8.8
137.06087	100.0
149.16203	0.4
161.04536	2.5
162.17000	0.4
179.03505	3.8
210.91229	0.5
213.84418	0.4
239.05620	1.7
299.07855	8.0
299.11142	1.0
300.77191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01484	3.6
57.03466	22.8
59.01382	44.4
66.64825	3.8
69.03439	4.1
71.01366	5.7
73.02955	7.9
75.71300	3.9
83.05020	8.3
85.02975	6.8
95.05063	5.0
97.06624	6.6
99.04511	5.3
101.06093	23.7
108.02171	6.3
109.06596	7.6
121.06615	7.3
123.04552	23.1
131.07158	20.2
151.61028	5.0
152.70132	4.9
157.10167	10.2
166.06366	10.6
175.93558	5.3
181.08711	6.3
193.12498	5.6
219.13889	7.2
227.25258	5.4
241.07317	11.6
255.12367	6.2
263.11313	9.5
294.15265	6.1
299.11368	33.5
299.14987	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	299.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13350	1.0
55.01880	1.5
58.00594	1.9
59.01374	100.0
62.03392	1.0
71.01369	49.0
72.99320	2.1
73.02944	1.4
83.01371	1.8
85.02928	10.5
86.54850	1.1
89.02433	37.6
92.10044	1.4
93.03434	10.4
95.01370	2.5
101.02429	21.4
113.02422	18.1
119.03503	16.2
119.04992	35.0
122.95777	1.3
137.02435	13.1
137.06062	2.8
138.05592	2.1
153.62915	1.1
166.47479	1.3
175.58748	1.2
179.05644	1.8
250.70686	1.2
299.11240	6.9
299.15042	5.8
305.97821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1133
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01886	1.3
57.03450	1.7
58.00603	1.1
59.01075	3.4
59.01375	100.0
68.45660	1.2
71.01373	40.6
72.99319	2.9
75.22204	1.2
78.81121	1.1
83.01397	2.1
83.32954	1.2
85.02930	9.8
86.55369	1.5
89.02428	52.0
95.01413	1.9
101.02417	17.7
113.02431	16.1
119.03522	16.5
119.04997	35.2
137.06073	2.8
161.04568	1.6
179.05597	1.4
186.22336	1.4
187.87357	1.3
256.10779	1.3
273.96320	1.3
299.11258	5.7
299.14621	1.7
313.31360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.6
57.03466	0.6
59.01389	3.2
64.21706	0.5
66.91299	0.4
71.01389	5.4
72.99335	1.1
73.02957	2.8
81.03472	0.9
82.35928	0.5
85.02950	4.2
91.25204	0.4
92.10213	0.8
93.03492	1.9
95.01372	0.9
96.96017	11.1
99.00918	0.5
101.02451	2.2
106.04253	6.7
107.05038	2.8
108.02137	0.6
113.02485	2.9
119.05023	6.8
135.04509	0.7
137.06090	100.0
157.10281	0.8
161.04578	3.4
201.11263	1.0
219.12202	0.6
221.08102	0.5
299.08038	4.6
299.11383	2.6
299.14786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
54.82713	0.7
59.01385	6.1
69.30004	0.6
75.00697	0.5
78.44003	0.6
101.15167	0.5
116.92854	0.7
146.68533	0.5
155.14513	1.0
183.13918	1.1
199.13434	6.3
279.23370	10.1
295.22791	0.9
297.24390	100.0
298.24805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.69873	0.4
54.72554	0.5
57.03438	0.5
59.01385	7.2
63.62342	0.5
77.34448	0.5
78.59979	0.4
92.65494	0.6
96.39130	0.5
100.21298	0.6
183.01086	0.8
197.15398	1.8
199.13422	0.8
235.16893	0.8
279.23343	6.9
295.22906	0.9
297.24387	100.0
298.24710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.57541	0.5
52.23154	0.5
53.24734	0.6
59.01397	1.1
74.09431	0.5
86.60843	0.6
92.43803	0.6
113.09721	1.0
183.13887	8.3
199.13576	0.7
214.41611	0.5
279.23346	13.8
295.22833	2.2
297.24390	100.0
307.37976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0201
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
54.82797	0.8
59.01389	1.8
60.66617	0.8
63.02393	6.4
65.00326	4.5
67.01330	0.7
74.82743	0.9
78.95579	0.7
100.71232	0.8
100.84351	0.8
107.01420	7.0
109.02965	9.6
115.05582	1.1
131.05067	0.8
133.02972	14.9
135.00902	1.3
135.91063	0.9
143.05064	4.7
145.02951	0.9
147.04509	1.5
155.04974	1.6
157.02930	3.8
171.04539	11.6
173.02463	1.4
175.03989	5.9
187.03940	4.4
197.02469	1.8
198.03249	2.1
199.04024	23.5
201.01993	7.1
202.88300	0.8
203.03546	1.5
215.03513	8.9
226.02716	3.3
227.03568	6.9
242.02289	1.7
243.02985	9.1
255.03035	0.9
261.84601	0.9
271.02530	99.9
282.01999	1.0
299.02011	100.0
300.02359	1.5
322.10889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72544	1.0
54.21354	1.0
72.00922	4.8
74.02485	15.6
79.95734	40.7
80.96511	32.3
82.43656	1.1
86.02473	25.6
92.05093	5.5
96.95988	10.3
112.79486	1.2
130.06613	2.8
131.03775	18.4
132.04552	27.1
136.89558	1.3
144.04570	44.4
146.06140	2.0
157.07710	50.9
158.06113	25.7
160.04045	2.5
171.05728	2.0
173.07199	11.2
175.08810	2.2
183.89206	1.2
184.04033	1.8
201.06725	8.5
202.05168	8.0
212.00227	2.7
212.24536	1.5
219.07777	91.7
226.01862	1.4
237.03410	9.5
255.04488	7.2
274.54199	1.3
281.02295	2.9
282.00833	3.0
299.03476	100.0
304.22009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
54.28572	1.3
55.18449	1.2
57.03459	1.4
58.00572	1.4
59.01386	83.1
71.01383	36.9
72.99310	2.5
73.02950	2.5
76.00417	1.2
83.01432	2.3
85.02950	11.3
89.02444	30.3
93.03459	32.7
95.01394	1.9
96.96047	1.7
100.58775	1.3
101.02438	14.4
106.04261	7.3
107.05035	2.2
110.09819	1.4
113.02461	17.0
119.03533	9.5
119.05032	6.8
121.02888	1.3
135.04539	2.7
136.01639	9.4
137.02460	66.2
137.06093	100.0
149.02533	1.8
151.03995	6.4
161.04616	2.0
179.03514	30.1
209.04503	1.8
217.00392	1.9
228.68147	1.3
239.05750	11.9
257.19171	1.5
299.04388	2.0
299.07788	53.5
299.15027	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	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01385	0.4
62.72620	0.3
71.01394	0.5
76.57979	0.4
93.03455	100.0
96.96039	0.5
102.79221	0.4
108.73428	0.4
137.02443	64.3
178.67319	0.4
199.61308	0.4
215.46667	0.4
219.07790	0.4
299.07690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
51.61709	0.3
52.62906	0.3
55.01878	0.6
56.49455	0.3
57.03445	1.6
59.01385	30.1
64.34873	0.4
71.01380	13.3
72.99321	0.9
73.02940	0.5
83.01385	0.7
85.02937	3.9
89.02441	14.6
93.03453	100.0
95.01420	1.7
101.02445	5.0
113.02483	5.5
119.03525	5.4
119.05018	9.8
137.02448	96.7
138.05579	0.6
217.00346	1.8
299.08105	0.8
299.11514	1.9
299.15143	1.8
311.33502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15670	1.0
56.88604	0.8
57.03468	5.2
59.01389	16.3
62.87257	0.8
69.03456	1.3
71.01379	12.2
71.05038	1.7
72.99323	2.3
73.02969	2.2
73.32528	0.9
78.95907	1.4
81.03419	1.0
83.05048	0.9
85.02974	4.0
85.06599	1.7
87.00892	1.0
87.04517	3.9
93.03452	5.6
96.96007	100.0
101.02445	4.5
101.06124	1.1
106.04257	3.5
107.05094	1.2
109.06573	1.1
113.02449	1.9
115.07664	1.2
119.05016	7.0
129.09241	1.9
134.03688	2.0
137.02477	5.5
137.06082	98.5
149.06076	1.3
154.82240	0.9
157.10225	6.5
161.04536	2.0
174.99251	1.1
183.10309	1.6
196.63272	1.0
201.11351	14.4
201.13007	1.7
217.00298	7.9
219.11990	8.1
219.14197	11.5
233.42688	1.0
255.12637	1.2
299.08084	51.6
299.11417	7.3
299.14664	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	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28969	0.4
54.05140	0.3
58.37193	0.3
59.01382	100.0
76.65741	0.3
77.51239	0.3
85.92055	0.3
112.71547	0.4
144.77956	0.4
147.00598	0.3
156.43498	0.4
197.08266	0.3
203.80005	0.4
274.97974	0.4
279.58868	0.4
307.73584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75713	0.2
57.03448	0.6
59.01382	100.0
59.45113	0.2
61.98838	0.3
64.51897	0.2
75.74305	0.2
89.51427	0.3
92.10767	0.3
106.06622	2.5
108.08206	0.3
117.75452	0.3
134.06119	17.7
136.07683	8.2
169.63397	0.3
188.99487	0.3
207.10243	0.5
237.09961	0.3
251.16493	2.1
297.12460	7.2
297.16003	0.4
297.17169	0.3
313.07922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01385	100.0
59.71526	0.2
73.94578	0.2
85.03467	0.2
87.81896	0.2
94.71255	0.2
117.00277	0.2
207.17487	0.4
211.58310	0.2
262.20926	0.3
279.65411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35395	0.3
55.07887	0.3
56.46279	0.3
59.01384	100.0
61.62036	0.3
114.39081	0.4
135.34734	0.3
150.95789	0.3
198.91835	0.4
247.90974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36516	0.4
53.91793	0.4
57.03447	0.6
59.01385	100.0
60.63218	0.5
61.33157	0.4
63.72636	0.4
71.01381	0.7
78.45231	0.5
85.02971	0.9
92.10818	1.0
95.05016	0.6
111.04490	0.8
145.56615	0.5
183.35628	0.5
191.14369	0.5
213.53732	0.4
214.59880	0.5
219.13884	2.1
237.14906	0.9
251.16475	0.7
257.59656	0.6
297.13449	2.3
297.16791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92665	0.1
57.03480	0.2
59.01393	100.0
74.46774	0.2
79.75311	0.2
83.05035	0.2
85.02974	0.2
97.06583	0.2
121.39806	0.2
123.08135	0.2
131.28668	0.2
153.09207	0.3
165.12732	0.2
169.59871	0.2
193.15950	1.1
221.15547	0.3
237.14969	2.0
242.30751	0.2
274.58365	0.2
297.10580	0.9
297.17221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48085	0.2
57.20760	0.2
59.01385	100.0
60.01723	0.4
70.12801	0.3
71.13602	0.3
77.75507	0.3
95.51208	0.3
136.92590	0.3
137.98904	0.3
138.25746	0.3
156.05893	0.3
191.14439	0.4
193.16048	0.5
219.13895	5.6
237.14960	5.1
256.00909	0.3
297.17102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.12473	0.3
62.05565	0.3
71.76618	0.3
76.58498	0.2
91.61383	0.3
105.87164	0.3
121.25990	0.3
121.96998	0.4
144.68634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83237	0.3
59.01385	100.0
59.93835	0.2
70.48589	0.2
72.69744	0.2
73.02954	0.2
74.58864	0.2
81.79204	0.2
83.05023	0.5
83.25961	0.2
85.02931	0.3
127.03986	0.3
151.11285	0.4
195.13870	1.3
237.14975	1.4
239.12839	0.9
251.16502	0.5
297.13647	0.4
297.17065	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	297.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37456	0.2
59.01384	100.0
64.64473	0.2
89.79446	0.2
92.10181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92828	0.4
53.10589	0.4
57.03457	0.9
58.12045	0.4
58.45612	0.4
59.01390	100.0
59.53375	0.4
60.32250	0.4
65.33415	0.4
68.21384	0.4
71.01389	0.8
73.79976	0.4
75.71913	0.4
79.45934	0.5
83.05029	0.9
92.65928	0.5
95.05017	1.1
123.08162	0.7
135.08144	0.6
155.00137	0.6
161.25705	0.5
163.03278	0.5
197.99023	0.5
205.12445	0.6
253.14412	0.9
279.12592	0.6
297.13425	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	296.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13308	1.7
59.01391	100.0
63.21761	2.0
64.15594	2.1
92.10789	4.5
116.54626	2.0
116.88815	1.9
128.68356	2.2
129.96506	2.3
150.72931	2.0
288.00571	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	297.0981
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
53.45588	0.6
57.03463	1.2
59.01386	37.3
71.01379	16.4
72.99323	4.7
83.78235	0.6
85.02977	3.2
87.59195	0.7
89.02445	17.1
91.05505	0.7
113.02435	1.4
116.04885	0.7
119.04306	0.7
119.05024	6.1
127.94711	0.7
135.02977	1.6
139.07657	0.8
147.04532	100.0
165.05571	35.9
193.59340	0.7
196.19225	0.8
209.11903	1.4
217.37108	0.8
294.54742	0.7
297.09872	43.4
297.13290	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	297.1344
Annotation	Amoenin
Peak:m/z	Relative Intensity
54.28297	1.4
57.03448	33.3
57.88384	1.4
59.01382	100.0
59.84243	1.4
69.03458	2.0
71.01378	2.9
71.04993	1.8
73.02932	3.7
73.68670	1.5
81.03458	3.3
83.05041	4.0
85.02963	1.7
85.06586	23.8
87.04505	19.7
89.02457	2.9
89.68878	2.0
92.10077	3.1
93.03423	2.4
95.05022	8.2
97.06571	19.2
98.03722	7.5
99.04517	3.4
107.05003	8.0
108.02161	14.1
109.02913	3.2
109.05867	3.4
109.06581	45.5
111.04527	15.0
111.08190	2.3
112.05312	1.8
113.06093	8.6
119.05000	3.8
121.02974	2.9
122.03720	2.6
123.04488	2.0
123.08156	2.4
125.06062	25.8
125.09667	2.8
126.03213	3.2
127.07623	7.9
133.06540	2.7
135.08125	7.6
137.06076	27.7
147.04507	11.8
149.06006	1.9
149.09686	2.1
150.08556	1.9
151.07721	4.1
151.11310	1.9
153.09151	2.1
155.07112	3.7
164.08372	3.0
165.09207	4.2
165.12813	2.7
177.09227	30.5
187.11113	2.2
189.12724	1.9
192.07919	3.6
192.11516	1.7
193.12291	9.9
195.10265	39.4
205.12306	2.5
207.13861	15.9
210.08975	15.7
217.12370	6.9
223.13402	2.9
235.13402	18.8
253.10596	3.7
253.14517	17.8
297.09821	12.8
297.13394	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.72362	0.3
54.09645	0.4
56.04732	0.4
57.03456	0.6
59.01389	5.5
62.21583	0.4
67.90571	0.4
82.39983	0.4
92.10876	0.8
113.09715	2.6
113.92673	0.4
126.99274	0.5
169.37770	0.5
179.14354	0.9
181.12250	0.7
195.13910	19.3
224.53777	0.5
245.12115	0.4
255.53419	0.5
259.20581	0.6
277.21725	21.6
289.17667	0.4
295.22812	100.0
296.23117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05169	0.9
55.35419	0.8
59.01389	1.9
63.10878	0.8
63.28155	0.8
63.95484	0.8
64.95534	0.8
68.97186	0.9
70.00999	0.8
75.56386	0.7
78.53022	1.0
97.06595	1.5
104.59925	0.8
111.08144	0.9
117.96193	0.8
146.60242	0.9
159.49428	0.9
171.10275	34.7
183.10271	10.1
277.21744	47.9
295.22815	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.8
59.01404	4.4
71.01368	0.8
76.74488	0.5
77.59492	0.6
78.71371	0.5
90.51114	0.6
98.95623	1.2
113.09751	3.5
179.14484	0.9
183.13864	4.0
195.13930	28.4
207.44801	0.6
223.24763	0.5
277.21744	24.3
295.22824	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
50.32002	0.6
54.83279	0.6
57.03468	1.1
59.01377	8.4
60.24622	0.6
73.32687	0.6
77.25126	0.7
87.89866	0.7
92.10777	1.5
98.86053	0.7
112.40314	0.7
136.53648	0.7
141.12907	1.1
153.12817	0.7
165.27232	0.7
169.12320	3.0
197.11865	1.7
245.11691	0.8
251.23767	1.0
277.21698	12.4
295.22803	100.0
296.23172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1917
Annotation	Kikkanol F monoacetate
Peak:m/z	Relative Intensity
51.54259	0.1
54.41700	0.2
59.01387	100.0
67.43111	0.2
71.01394	0.3
101.37032	0.2
122.79250	0.2
149.95671	0.2
168.67326	0.2
250.53609	0.2
295.15964	0.3
295.19281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04137	0.2
53.36065	0.2
53.48763	0.2
55.44322	0.2
57.05269	0.2
59.01384	100.0
73.35601	0.2
77.32574	0.2
92.10818	0.3
97.05035	0.2
128.57257	0.3
133.56186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
62.81013	0.3
68.54942	0.3
92.10101	0.6
93.40656	0.3
96.92268	0.2
110.08737	0.3
123.95703	0.3
151.40742	0.3
157.90915	0.3
295.15372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
74.72505	0.3
114.39137	0.3
119.04999	0.4
130.49463	0.3
224.31482	0.3
248.67262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.24854	0.3
59.97775	0.3
66.61876	0.2
70.68455	0.3
90.84798	0.3
92.10173	0.7
115.34568	0.3
228.82956	0.3
245.76692	0.3
295.15723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07121	0.5
57.03440	0.5
57.04487	0.4
59.01382	2.6
64.35006	0.5
66.11653	0.5
69.45546	0.5
69.97260	0.4
72.07487	0.5
75.20341	0.5
87.84465	0.5
111.08182	0.5
116.41048	0.5
118.09856	0.5
127.11299	2.1
153.12860	1.0
154.42291	0.5
155.22383	0.5
160.87463	0.5
165.12837	2.2
213.72383	0.6
225.47331	0.6
236.62660	0.6
251.23901	0.7
288.91638	0.5
295.22821	100.0
296.23172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82951	0.6
54.87212	0.6
55.01880	1.4
55.84855	0.7
57.03449	1.1
58.00610	1.5
59.01386	100.0
71.01381	36.3
71.01775	1.1
72.99313	1.4
73.02952	2.9
76.48583	0.7
83.01389	1.6
85.02960	9.3
89.02442	39.2
92.10154	1.5
95.01418	3.7
96.10087	0.7
96.96052	1.0
97.66330	0.7
99.95236	0.9
101.02438	18.9
102.72606	0.8
113.02441	12.0
114.71079	0.8
119.03496	12.5
122.72971	0.8
140.07715	0.7
194.40227	0.8
258.38248	1.0
295.10388	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17228	0.3
54.56439	0.4
59.01377	100.0
63.01036	0.4
71.01368	0.8
72.46469	0.4
72.99294	7.3
73.02939	0.7
73.07027	0.4
81.34397	0.4
82.77309	0.4
83.05035	0.5
91.00361	0.6
93.03436	0.7
101.02449	1.9
102.01391	0.4
111.04521	0.6
113.02480	0.5
116.51064	0.6
119.05025	0.5
121.02936	36.5
123.76605	0.4
155.03497	0.7
169.77237	0.4
173.04475	0.6
235.11855	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	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01379	1.4
73.02971	0.4
85.02975	0.6
101.02436	0.7
102.52465	0.4
113.02504	0.4
113.98581	0.4
116.71220	0.3
147.42818	0.4
161.04556	0.5
235.11842	2.9
280.67685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1917
Annotation	Kikkanol F monoacetate
Peak:m/z	Relative Intensity
57.03462	0.5
59.01390	100.0
65.06700	0.3
70.83146	0.3
101.31294	0.3
117.35705	0.4
119.05025	0.8
163.04030	1.6
175.14925	1.7
208.17990	0.5
271.39694	0.4
295.19171	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	293.1762
Annotation	1-O-Acetylageratriol
Peak:m/z	Relative Intensity
54.83199	0.7
57.03458	9.8
59.01390	19.1
105.52036	1.0
120.05808	20.0
131.47562	1.0
133.06555	1.5
136.08925	6.6
139.11275	1.0
146.05563	1.1
152.04826	6.1
163.11298	100.0
163.96007	0.8
173.09558	0.9
175.11316	7.8
192.11485	1.3
193.15967	7.7
200.73508	0.9
221.15457	1.9
233.15498	93.5
249.18512	2.0
293.17581	2.1
302.46957	0.8
302.50967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45710	0.2
59.01387	1.0
68.99588	0.2
76.58467	0.3
79.95734	2.2
87.87542	0.3
96.14636	0.3
96.96004	100.0
153.40225	0.3
187.23544	0.2
192.11569	0.5
193.15948	0.4
210.93002	0.3
220.14699	2.8
221.15511	4.9
236.10571	3.1
283.59418	0.3
290.75897	0.3
293.17960	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82860	1.2
59.01375	3.2
72.97531	3.0
72.99296	12.9
77.19047	1.3
83.58345	1.3
87.00871	15.9
90.98590	100.0
96.95998	1.4
117.00191	2.2
135.01186	3.3
145.06931	63.2
149.68399	1.5
161.06445	2.8
163.07976	56.0
179.00197	27.2
188.68480	1.5
189.05901	11.5
207.06989	15.3
233.08614	18.0
251.09538	11.8
277.07599	7.9
295.08627	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39661	0.5
55.01877	1.6
56.62398	0.6
57.03448	3.3
58.00602	1.0
59.01383	86.3
60.99300	0.9
67.37631	0.7
69.03451	0.9
71.01381	34.7
71.05023	0.9
72.99313	2.6
73.02933	6.5
75.00872	5.6
75.49703	0.7
83.01382	4.0
85.02939	17.8
87.00872	3.4
87.04523	8.2
88.98798	10.2
89.02438	41.8
95.01392	3.1
99.00874	1.2
101.02444	22.5
112.98790	1.4
113.02449	14.4
115.03999	15.0
118.55179	0.7
119.03493	10.1
120.99642	6.1
127.64676	0.7
131.03491	1.4
133.05070	28.4
142.99828	1.4
145.05109	5.8
161.04556	4.4
163.06119	6.0
173.00916	1.5
179.05663	0.9
193.24077	0.6
216.68657	0.8
221.06741	1.1
235.08238	0.8
237.06145	1.2
277.09467	0.8
295.10376	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	291.197
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.62272	0.3
51.49592	0.4
55.04703	0.5
59.01395	0.8
60.21360	0.4
60.54662	0.3
63.84426	0.3
77.52471	0.4
81.40955	0.4
88.38257	0.4
97.06583	0.5
98.35268	0.4
106.04241	0.5
148.08867	0.8
150.10539	0.8
151.11304	0.5
163.11267	1.7
165.12849	21.9
165.14285	0.7
170.90623	0.4
191.14442	0.7
217.15947	0.4
231.14055	0.5
247.20674	12.6
273.18631	7.8
291.19690	100.0
292.19974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.57400	0.3
59.01387	3.9
65.57925	0.3
73.02943	72.7
110.70018	0.3
116.92858	0.6
117.53677	0.3
121.02905	1.5
177.37808	0.3
208.93187	0.4
209.04495	0.4
291.19681	100.0
292.20023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20510	0.6
55.01892	1.8
56.41595	0.8
58.00596	1.3
59.01384	64.7
61.74216	0.8
62.77398	0.7
63.65602	0.7
71.01380	27.3
72.00931	0.8
72.99349	1.0
73.02975	1.2
75.37348	0.8
83.01403	1.5
85.02949	7.7
85.06592	23.4
87.00861	1.3
89.02440	25.3
89.02932	1.4
92.10182	1.3
95.01390	1.7
100.00391	6.3
101.02448	16.8
108.21932	0.8
113.02454	12.4
113.06094	4.3
115.07643	3.6
115.08472	0.9
119.03497	10.1
127.07670	3.4
131.07141	74.4
144.02890	0.9
148.06326	5.3
161.04536	0.8
173.08189	0.9
179.05652	1.2
228.37560	1.0
237.21848	1.0
254.98199	1.1
293.12476	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	293.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33808	0.9
53.92861	0.9
54.05378	0.9
59.01395	1.9
61.13894	1.1
65.12725	1.0
65.98515	1.1
68.99577	1.1
73.23937	1.1
80.50504	1.3
82.01800	1.1
83.10724	1.3
85.50237	1.3
88.97125	1.1
95.93286	1.4
96.95972	1.3
132.48615	1.1
135.03261	1.2
145.10579	100.0
148.05292	1.4
149.06053	11.9
180.04257	1.7
192.11449	1.4
220.14709	5.9
221.15433	6.7
236.10536	7.4
293.15683	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
71.01409	3.1
74.17979	0.7
96.43434	0.7
123.55389	0.7
134.99399	1.0
136.67430	0.8
144.76781	0.8
149.00967	14.6
149.82838	0.9
154.77512	0.7
174.41780	0.8
176.10378	0.8
177.09222	4.9
182.24368	0.8
192.11557	5.6
196.07181	0.8
205.12410	5.6
209.72037	0.8
217.07224	26.0
217.09219	1.3
220.14697	38.7
221.15486	61.7
233.10361	43.6
236.10568	32.6
293.17618	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	291.1087
Annotation	Itoside L
Peak:m/z	Relative Intensity
54.96562	2.0
57.03461	4.6
58.00581	2.8
59.01385	100.0
61.98860	2.1
64.35539	1.8
69.03519	2.5
71.01386	47.6
72.99314	2.5
73.02950	3.8
81.87425	2.1
85.02991	13.0
85.44886	2.0
85.95615	1.7
87.00899	2.6
89.02451	40.0
96.96036	4.5
99.04549	4.6
101.02458	17.0
105.09927	1.9
111.04556	3.4
113.02473	12.4
119.03503	11.7
128.19463	2.0
129.05618	2.7
139.07664	2.7
157.08698	2.3
159.06662	7.4
203.70200	2.0
203.88441	2.0
214.20609	2.3
229.23296	2.2
291.10846	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	291.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
73.14922	37.0
75.47739	38.0
82.09627	49.8
112.05909	42.6
164.83983	39.2
263.55829	40.7
289.05319	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	289.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
66.67981	22.7
70.29981	21.8
77.16434	28.4
176.41191	25.4
198.63631	26.5
245.15384	53.6
289.14569	38.1
289.18216	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59243	0.3
57.06310	0.3
57.14011	0.3
59.01383	0.7
65.76694	0.3
79.78052	0.3
85.02972	1.8
85.49833	0.3
93.03441	0.5
112.35535	0.3
117.03482	3.5
119.05024	100.0
120.05424	0.4
135.43413	0.3
145.02950	8.9
159.49809	0.3
163.04018	57.7
179.36092	0.4
201.24178	0.4
201.32762	0.3
228.84055	0.4
273.07504	0.5
291.08795	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89433	0.8
52.63487	0.8
55.01887	1.4
57.03447	1.1
59.01385	33.3
71.01385	14.5
72.99332	4.4
73.02935	1.8
77.59523	1.0
81.03461	1.8
83.01385	1.7
83.05035	16.1
85.02965	4.3
85.06584	4.1
85.38318	0.9
87.00908	1.4
88.98786	1.9
89.02430	11.9
101.02457	5.9
111.04513	18.8
112.76598	1.1
113.02468	2.3
119.03528	1.8
128.11334	0.9
129.05583	100.0
143.07536	0.9
154.89047	1.0
161.04549	1.5
201.86482	1.0
278.65762	1.3
291.10913	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1091
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01893	2.2
57.03463	1.4
59.01390	35.7
60.99317	1.4
63.13950	1.0
66.75454	1.2
71.01390	16.7
72.99322	5.3
83.01412	2.4
83.05058	14.5
85.02988	7.2
85.06611	6.0
88.98827	2.4
89.02458	10.3
96.96018	2.5
98.83475	1.3
101.02463	6.6
111.04544	23.6
113.02480	6.3
119.03506	1.1
129.05586	100.0
207.61394	1.3
231.08784	1.2
270.32904	1.4
291.10901	60.1
313.20508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83130	20.2
55.78777	14.5
59.01407	100.0
62.07190	13.5
69.25092	17.4
80.15228	15.9
85.10021	15.4
117.17187	19.4
121.06647	18.5
122.10172	17.0
251.12971	37.3
253.14534	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58134	1.9
57.03445	2.5
59.01388	100.0
64.71059	1.9
69.13306	1.9
78.13657	2.0
91.52789	1.9
92.10716	2.7
97.02932	2.7
103.36160	2.3
111.08171	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	289.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30440	19.5
52.11249	20.8
59.01391	100.0
79.05584	22.0
80.27528	28.3
107.66595	23.6
109.02933	26.9
110.99445	22.7
113.21406	22.8
128.00877	21.6
148.49402	23.5
153.00783	26.1
170.65273	22.0
191.44894	32.4
289.14368	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54592	9.6
55.35750	9.6
59.01393	62.1
60.29222	11.0
72.95963	11.1
101.55099	13.4
128.91588	10.7
147.04520	100.0
156.72997	11.5
240.04094	16.4
294.18381	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	289.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83130	20.2
55.78777	14.5
59.01407	100.0
62.07190	13.5
69.25092	17.4
80.15228	15.9
85.10021	15.4
117.17187	19.4
121.06647	18.5
122.10172	17.0
251.12971	37.3
253.14534	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.9
59.14712	11.5
71.01408	26.4
76.66071	15.0
90.20492	14.3
92.66537	14.0
103.24138	16.9
135.38914	13.2
179.21570	14.4
180.28458	14.7
191.10791	80.8
215.99622	21.6
216.64847	17.8
251.16557	89.3
263.60413	17.3
289.18347	100.0
305.06195	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.36515	1.2
57.03464	13.0
69.03457	3.0
72.37695	1.4
80.02686	2.0
81.03466	15.3
82.48125	1.5
82.61823	1.5
83.01382	13.7
92.10102	4.9
93.03455	7.5
95.05029	17.6
97.02943	29.7
108.02192	3.0
109.02215	3.4
109.02958	97.0
121.02946	12.2
122.03733	8.2
123.04524	72.8
125.01521	2.0
125.02448	48.7
131.05049	1.5
135.04512	7.4
137.02443	33.9
138.03224	3.1
139.04019	8.0
145.02963	2.4
146.03726	3.3
147.04530	2.4
149.02422	14.1
150.03226	3.5
151.04002	32.9
159.04527	12.2
160.05302	2.8
160.31398	1.8
161.02406	2.0
161.06056	13.6
162.03273	3.3
163.04007	6.3
164.01195	9.4
165.01942	12.5
167.03465	2.6
172.60091	1.7
173.06117	2.6
174.03119	1.7
175.04015	7.8
175.07658	10.7
179.03493	14.3
185.05966	2.0
187.03999	16.4
188.04829	13.3
189.12982	1.7
199.07758	2.3
201.05582	2.7
202.06395	3.9
203.07190	36.5
205.05055	20.2
221.08209	14.3
227.07216	3.7
245.08217	49.3
247.06100	3.0
258.00687	1.7
273.80981	1.6
289.07214	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	289.0721
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.25506	1.8
57.03458	11.6
59.01395	3.0
81.03482	11.5
83.01407	10.5
84.00262	2.5
90.74424	2.4
93.03498	3.3
95.01340	3.0
95.05051	11.5
95.62322	2.5
97.02936	24.2
109.02960	81.4
109.03680	3.8
110.45557	2.7
121.02959	11.1
122.03764	4.8
123.04520	57.3
125.02433	39.7
135.04510	4.3
137.02460	27.2
139.04027	10.8
145.02956	5.3
149.02473	12.7
151.03978	25.3
159.04515	6.0
160.05267	4.1
161.06076	15.9
162.03242	3.7
163.04050	3.9
164.01147	13.8
165.01949	10.9
175.04062	5.9
175.07684	2.7
179.03514	15.0
187.03978	16.9
188.04745	8.9
202.06393	3.9
203.07176	31.6
205.05104	14.0
221.08255	6.2
245.08218	43.3
260.40070	3.0
289.07181	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	289.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.6
72.99304	0.7
77.84984	0.1
79.95744	1.6
85.06596	0.2
90.70222	0.2
92.10094	0.2
96.96007	100.0
101.06078	3.8
101.70007	0.2
111.00880	0.2
115.04008	1.5
129.05576	0.9
132.98210	0.2
145.05084	0.6
147.03439	0.2
170.99789	0.2
189.00676	0.2
191.01958	0.2
191.05627	4.0
213.00777	0.3
231.01854	0.9
233.03532	0.8
289.02444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0328
Annotation	D-Sedoheptulose 7-phosphate
Peak:m/z	Relative Intensity
54.52954	0.1
56.09826	0.1
59.76445	0.1
71.01382	0.5
78.95896	5.2
79.95731	1.7
85.02954	0.4
87.00868	0.1
92.33145	0.1
93.03474	0.1
96.96002	100.0
96.96906	8.8
99.00901	0.1
103.22526	0.1
112.98783	0.2
124.98809	0.1
127.04009	0.1
142.99861	2.7
167.36511	0.1
173.00890	1.3
191.05611	5.2
270.98605	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99788	1.1
57.03457	10.5
73.72383	1.4
81.03452	9.3
83.01377	12.4
89.98636	1.5
93.03427	2.2
95.05001	13.5
97.02941	22.8
98.77316	1.3
106.21230	1.4
106.35490	1.3
108.02169	2.5
109.02940	79.2
121.02925	9.1
122.03708	2.9
123.04501	64.9
125.02430	41.6
125.54688	1.4
128.60715	1.4
135.04518	5.8
137.02417	21.9
139.04005	10.3
145.02943	2.9
146.03708	2.5
147.04478	2.8
149.02423	13.4
150.03198	7.0
151.04002	25.0
159.04474	10.1
160.05307	5.8
161.06033	12.6
162.03224	3.1
163.03969	3.2
164.01111	8.6
165.01913	6.9
167.03444	3.3
169.00487	1.4
175.04019	5.3
175.07597	3.4
179.03487	13.9
185.06090	2.3
187.03972	15.1
188.04756	8.5
199.07729	2.1
201.57635	1.5
202.06378	3.0
203.07144	26.0
205.05092	15.0
208.21825	1.4
221.08171	10.7
227.07074	5.5
230.05853	2.0
245.08131	38.7
247.06088	1.9
289.07159	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	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03461	3.9
57.33275	1.5
58.00619	3.5
59.01389	100.0
60.54132	1.8
69.03445	14.5
71.05024	20.0
72.99325	3.4
81.07140	2.0
83.05039	17.2
83.66438	1.8
85.06601	6.5
97.06603	4.4
99.08175	8.4
100.40648	1.9
105.07111	9.8
107.05010	2.2
109.48722	1.9
111.08192	9.8
111.14922	2.0
121.06621	1.9
123.08164	92.4
125.06085	2.7
129.49792	1.7
151.11226	2.0
155.10832	4.0
156.31084	1.7
169.12303	14.3
177.63783	1.9
181.12357	10.0
193.12335	47.0
211.13365	4.2
227.12912	2.1
229.14400	3.4
287.18683	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.8
57.03454	17.1
58.00590	1.9
59.01386	23.9
69.03452	12.6
70.78177	1.0
71.01395	1.4
71.05023	28.5
72.99353	1.1
73.02956	6.3
77.76406	1.2
81.03468	2.0
83.05019	25.7
85.06580	4.9
87.04507	11.2
93.07089	4.1
95.05003	1.8
97.06580	6.0
99.04504	2.6
99.08145	9.7
105.07106	2.6
107.05048	1.8
108.90132	1.2
109.06583	7.3
111.08149	25.9
121.06580	5.4
123.08135	36.1
125.06054	2.4
125.09720	1.7
127.07608	1.5
129.09206	2.3
137.09682	2.7
139.07590	1.7
141.09184	1.9
155.10747	2.7
163.11221	6.0
169.12448	1.5
174.64311	1.1
179.10829	1.9
181.12323	18.0
186.92953	1.2
193.12372	11.3
193.13821	1.3
199.13400	13.5
199.14961	1.4
211.13330	7.6
229.14415	6.2
251.16321	1.3
287.15161	5.7
287.18610	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	288.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04926	0.1
52.07197	0.1
54.30407	0.1
59.01398	0.2
71.01382	0.8
71.58630	0.1
78.95914	7.1
79.95750	1.7
80.23351	0.1
80.42037	0.1
80.78886	0.1
85.02985	1.0
86.57362	0.2
87.00887	0.3
92.10724	0.2
93.03439	0.2
96.96017	100.0
96.96925	12.8
99.00895	0.3
111.00900	0.2
112.98837	0.3
124.98795	0.3
127.04016	0.2
142.99870	4.0
173.00923	2.6
191.05637	9.6
203.71089	0.1
213.36789	0.2
241.76212	0.2
270.98593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32422	0.1
54.00814	0.1
54.19075	0.1
58.20309	0.1
59.82007	0.1
71.01382	0.2
78.95900	4.1
79.95724	1.7
92.45406	0.2
96.96005	100.0
96.96902	6.9
140.66563	0.1
142.99869	1.9
173.00945	1.2
199.41174	0.2
226.35445	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06380	1.4
57.03457	3.9
58.00628	2.8
59.01382	100.0
62.78337	1.6
64.34735	1.7
65.26926	1.9
65.29970	1.6
71.05035	4.2
72.99282	3.6
73.02950	2.9
81.03458	8.3
81.07117	4.0
83.05056	3.0
87.04506	2.3
97.06606	2.5
99.04499	15.9
105.07098	4.9
111.08183	3.2
121.06567	2.0
123.08163	24.1
149.31238	1.8
150.69414	1.9
196.09715	1.9
199.13370	2.9
205.81973	2.1
217.14439	20.7
287.15115	7.2
287.18643	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63229	0.7
57.03475	5.5
58.00619	7.2
58.25328	0.8
59.01391	100.0
64.35225	0.8
71.01397	3.5
71.05040	4.0
72.99316	5.6
73.02966	4.6
81.03455	10.0
81.07097	3.9
83.05080	2.0
85.02981	1.6
87.04529	1.0
88.66705	1.0
92.10238	1.4
97.02989	2.1
97.06603	1.2
99.04510	20.5
105.07145	3.9
109.06615	1.1
111.08146	1.1
121.06593	1.4
123.08153	19.0
124.75040	0.9
128.79088	0.8
141.09238	1.1
160.13107	0.9
199.13414	4.1
217.14479	16.8
267.13202	0.9
287.18658	26.2
299.87289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03454	17.7
58.00603	9.2
58.37285	1.7
59.01387	100.0
69.03449	12.3
71.01393	8.5
71.05022	21.4
72.99323	7.6
73.02942	36.1
81.03445	2.3
83.05031	19.1
85.02969	2.7
85.06607	7.2
87.04516	10.1
93.07082	2.0
93.34993	1.4
95.05038	1.8
97.06606	6.2
99.04518	6.8
99.08155	9.3
101.06107	2.1
101.15145	1.8
102.10764	1.4
105.07090	3.1
109.06592	6.9
111.08160	22.5
121.06628	2.5
123.08154	57.2
125.06099	2.3
127.07652	3.8
136.36122	1.8
137.09752	1.8
137.68860	1.7
141.09181	2.2
151.11305	7.3
155.10760	2.8
157.08699	1.6
163.11288	3.1
169.12350	15.0
181.12372	12.1
193.12369	24.5
199.13391	8.8
211.13370	3.5
221.15611	3.0
229.14439	8.6
266.85828	1.8
287.15375	4.0
287.18658	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	24.8
59.01385	61.2
64.55156	1.4
69.03465	2.6
71.01390	3.5
71.05031	15.6
72.99308	1.8
73.02962	7.8
81.07098	6.6
83.05042	10.2
85.02973	3.3
85.06612	6.9
87.00873	4.0
87.04516	100.0
95.05032	3.2
97.06598	11.2
99.04535	6.3
101.06117	1.9
107.08680	7.7
107.74195	1.8
109.06602	7.1
111.08167	3.4
120.50810	1.9
120.68171	1.7
121.03011	1.6
121.06615	2.3
123.08168	16.8
123.57323	1.8
125.09734	1.9
127.07644	3.7
127.47334	1.5
141.09216	6.7
146.31316	1.6
147.11823	2.5
153.09203	2.5
165.12816	3.8
183.13919	10.3
220.07350	2.4
249.11450	2.3
263.98502	2.0
269.13928	2.0
287.15048	16.3
287.18625	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	287.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01276	1.6
54.81966	2.2
55.01884	1.9
55.15299	1.7
57.03469	18.2
58.00597	1.9
58.03791	1.8
59.01379	27.2
69.03459	16.0
71.01389	7.7
71.05005	24.6
72.99352	2.0
73.02946	42.1
81.03442	2.6
81.07108	2.9
83.05017	27.0
85.06606	4.9
87.04516	13.8
97.06574	4.0
99.04511	8.9
99.08163	8.0
101.06094	1.8
109.06590	4.0
111.08185	24.4
123.08150	31.8
125.06087	3.5
125.09700	2.8
127.07662	3.1
137.09810	2.8
141.09145	2.9
151.11261	8.3
155.10799	4.8
163.11299	8.9
169.12263	2.8
179.10857	3.5
181.12329	18.3
193.12334	13.0
193.92522	2.2
195.13921	3.1
199.13408	8.6
211.13321	4.8
221.15492	2.7
229.14410	5.0
245.31186	2.2
287.18610	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	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.58294	0.4
53.21247	0.4
57.03465	2.5
57.20104	0.4
59.01391	100.0
60.99320	0.5
71.05016	0.7
73.02974	0.5
78.95384	0.4
81.07137	0.5
91.62372	0.5
97.06621	0.6
99.04539	2.5
109.06625	0.6
111.08199	1.2
123.08204	1.8
127.07645	0.7
141.09219	0.8
157.99730	0.5
165.12868	2.2
167.10736	0.6
207.13942	2.3
209.11852	5.9
225.15051	3.7
227.12932	36.1
269.13959	9.8
287.15067	58.7
287.18573	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	287.1868
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
52.05870	0.4
52.39166	0.4
54.81237	0.4
55.01897	0.6
57.03455	2.9
58.00608	0.8
59.01385	20.1
60.43426	0.4
71.01376	8.4
72.99306	0.6
73.02953	6.5
75.67803	0.5
83.05057	0.8
83.85728	0.4
85.02966	1.1
85.06594	0.7
87.04531	0.9
89.02466	0.5
97.06615	0.6
99.04475	0.7
108.02227	0.7
111.08208	0.6
115.07690	1.7
122.03705	3.8
123.08152	0.8
135.08064	0.5
137.09753	0.7
151.11336	0.6
153.12880	5.1
165.12781	0.6
169.12375	0.7
177.09154	0.8
181.12393	3.9
181.15833	0.5
183.13960	2.4
191.14449	2.0
193.12440	0.7
193.16032	2.0
195.13853	2.6
203.14423	9.8
205.15912	3.8
211.13455	0.6
215.14420	4.5
219.13924	11.2
221.15482	18.4
225.14963	5.0
231.13907	1.9
233.15498	7.5
249.14980	7.7
267.16153	1.8
269.17484	0.9
285.17026	0.6
287.18692	100.0
288.18939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40918	7.9
55.13983	8.3
56.34381	8.1
59.01386	100.0
67.35125	8.7
83.05003	11.7
85.50760	10.3
98.95655	9.4
123.08147	11.6
191.19145	9.7
191.38512	10.3
213.22638	9.6
253.47205	12.5
266.53827	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	287.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44821	2.2
57.03464	2.6
59.01389	35.1
60.57022	2.9
61.98830	3.1
63.94057	2.4
65.84383	2.4
67.71554	2.8
73.02943	5.7
83.05042	5.3
96.96004	26.2
115.07654	5.4
123.08174	6.0
165.12918	20.3
167.10814	15.5
191.12901	2.6
191.14325	20.5
207.13954	27.1
207.17392	3.4
233.15529	12.8
241.23795	2.9
249.14952	13.1
251.12927	12.0
251.16599	48.9
286.23935	41.2
287.18750	10.7
287.24295	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	287.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13268	10.5
59.01384	100.0
71.01395	12.3
75.50269	15.7
113.29424	14.2
123.00897	16.0
152.01189	63.4
193.80168	14.1
263.52451	13.3
281.46289	12.9
287.13010	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
58.00598	0.4
58.37138	0.2
59.01385	100.0
69.03454	0.4
71.01379	0.6
71.05022	1.5
73.02942	1.5
83.05025	4.4
87.00877	2.4
97.06609	0.7
97.66607	0.3
99.04523	0.7
101.06065	0.5
121.06534	0.3
123.08176	4.5
125.02374	0.4
139.07674	0.3
139.11319	0.6
141.09192	0.4
149.63614	0.3
153.12898	0.6
163.11357	0.3
181.12369	0.3
187.03874	0.3
193.12376	0.7
199.13420	1.6
207.13948	0.4
225.14966	0.5
243.16043	2.6
269.13989	0.4
271.97540	0.3
287.15070	1.2
287.18628	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	287.0563
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
52.12117	1.2
57.03457	3.8
58.60853	1.2
59.01402	2.1
61.54507	1.5
65.00309	1.4
66.40689	1.3
67.01911	1.7
69.03483	3.0
77.03964	1.5
79.48779	1.6
79.95549	1.8
83.01399	19.7
84.97675	1.3
93.03461	13.9
93.66699	1.6
95.01363	1.9
97.02985	3.6
101.71922	1.4
107.01421	1.4
107.05045	2.9
108.02186	1.5
109.02959	27.7
121.02960	41.0
123.04526	2.7
124.01660	10.3
125.02443	34.7
130.04279	2.0
131.05061	2.1
133.02954	3.0
135.04541	19.3
137.02457	100.0
145.06645	2.6
146.03752	2.7
147.04530	12.2
148.05356	3.1
149.02466	39.9
149.06108	8.5
150.03236	8.2
151.04004	3.9
153.51039	1.5
158.03709	7.0
159.04538	28.4
161.02481	13.6
163.04037	2.6
164.01175	3.8
165.01915	15.7
172.05276	12.4
173.02626	1.7
173.06105	21.1
174.03185	3.7
175.04036	35.5
177.01958	3.8
177.05585	16.8
183.04483	10.1
189.05563	8.9
191.07059	1.8
195.26048	1.6
197.06152	5.6
199.04066	6.9
200.04787	3.5
201.01915	2.7
201.05626	34.3
203.03508	10.7
207.86224	1.5
213.05583	1.7
215.07132	8.0
216.38184	1.4
217.05103	8.1
219.06633	14.3
225.05592	5.7
227.03564	2.5
241.04994	2.6
243.02943	2.4
243.06651	7.7
245.04436	3.0
258.05331	7.1
259.06183	25.7
269.04697	1.8
287.05554	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	285.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39046	0.4
59.01392	100.0
60.71569	0.5
71.01402	1.7
81.03439	0.6
83.05032	5.2
89.02447	2.2
92.10801	0.9
101.02462	0.5
109.17950	0.4
113.02390	0.5
118.12853	0.5
119.03577	0.5
119.05031	13.6
120.99651	14.0
121.07186	0.4
122.32594	0.5
124.17302	0.5
125.71355	0.5
207.15063	0.4
223.90361	0.5
225.16119	14.3
254.10570	0.5
285.04156	0.9
285.13757	0.8
285.17145	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.07185	0.4
53.62788	0.4
56.35269	0.3
58.18709	0.4
59.01389	2.1
60.84033	0.4
61.98841	2.0
70.02985	0.6
74.06120	1.1
74.69013	0.4
83.99810	0.4
92.10190	0.6
118.05120	0.8
138.13635	0.5
203.37943	0.5
240.23352	3.0
242.21301	2.1
251.16447	0.6
268.22952	0.7
286.23901	100.0
287.24258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95566	1.4
52.16714	1.6
55.01885	9.1
55.32243	1.7
57.03454	23.7
59.01383	27.2
64.02204	2.0
64.79901	2.0
69.03465	10.5
71.01382	4.8
71.05029	14.4
73.02932	20.2
77.99411	1.7
81.03457	14.4
83.05012	21.3
85.02966	2.4
85.06598	4.3
87.04469	2.6
95.05038	12.0
97.06581	100.0
97.07196	4.5
97.89844	2.0
99.04521	25.4
99.85019	1.9
107.05010	2.4
108.56022	1.8
109.06591	19.7
111.04546	2.9
111.08183	2.3
113.06086	4.7
115.92915	2.1
121.06564	10.0
123.08165	4.2
127.07642	3.4
137.09740	3.6
139.07692	3.4
139.11240	1.9
141.09198	3.2
149.09636	3.4
151.02499	2.1
151.07660	2.2
153.78633	2.0
155.10780	4.8
161.09778	2.6
163.11320	2.4
179.10722	3.5
179.14452	2.2
185.11848	25.3
205.58684	2.1
267.15826	2.3
285.10153	2.1
285.13608	7.2
285.17068	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	5.3
51.76394	4.9
55.01897	60.8
57.03463	6.0
59.01396	8.6
69.03450	7.5
71.05042	14.4
77.59251	5.4
81.03461	7.5
81.16279	5.8
83.05025	100.0
83.05403	6.3
97.06491	5.7
99.04524	11.9
104.63174	5.4
107.05045	24.1
114.40196	6.3
121.06561	43.9
123.08141	54.2
193.13457	6.0
219.13934	11.0
285.04114	43.7
293.38168	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35103	1.0
55.01883	1.8
55.04831	1.1
56.03773	1.2
57.03465	7.5
58.00637	1.1
59.01401	11.7
66.79533	1.2
69.03474	1.2
69.10776	1.2
71.05028	6.2
73.02965	6.4
81.03457	12.0
83.05048	2.8
84.02190	1.7
85.02960	4.3
85.06610	2.5
87.04507	8.3
95.05033	6.7
97.06599	2.8
99.04509	12.2
109.06635	2.7
109.71849	1.1
113.06067	1.5
115.05101	1.3
121.06581	2.0
123.08185	1.6
133.06606	1.4
137.09746	1.5
145.57483	1.6
151.07629	1.8
155.14493	1.3
161.09686	2.4
163.11232	1.6
167.49733	1.3
176.23759	1.2
203.14452	1.5
207.13814	1.4
213.12927	1.4
225.11304	1.9
231.13945	2.8
241.14464	5.9
249.15082	1.4
267.16058	7.1
285.17099	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	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83125	2.6
56.96825	1.9
57.03462	10.7
59.01389	16.6
62.29403	2.2
69.03459	3.5
71.05022	3.5
73.02938	2.9
80.06885	2.3
83.05042	3.9
83.81291	2.1
84.02223	2.1
85.06612	15.3
85.12764	2.3
92.67126	2.2
95.05059	2.7
97.06617	10.0
102.18336	2.4
108.65465	2.6
109.06599	18.3
111.08158	82.6
124.98006	2.3
125.09761	21.1
139.07689	9.2
154.20863	2.7
181.12346	100.0
205.15921	4.2
249.14769	2.7
270.20105	2.7
285.17099	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
57.03457	1.3
63.02397	0.9
65.00337	0.7
65.03964	1.1
69.03466	0.8
73.02963	1.0
80.02660	0.6
83.01401	0.5
83.05028	20.5
87.04030	0.6
87.04523	1.2
91.01908	0.7
93.03473	4.4
93.07090	1.0
107.01405	1.5
109.02937	0.9
115.07634	0.7
117.03468	1.0
121.02956	0.7
121.06567	0.9
131.25716	0.6
133.02928	0.6
137.02472	0.8
137.28874	0.7
143.05051	0.8
145.02960	0.8
151.00423	1.2
155.04999	1.0
157.06561	0.8
159.04497	2.3
161.02492	0.9
169.06543	0.9
171.04517	1.3
185.06108	2.6
187.04041	2.9
201.05606	0.8
211.04041	0.6
214.02748	0.9
215.03601	0.7
219.13966	0.6
227.03558	0.9
229.05080	3.4
239.03470	1.3
285.04080	100.0
285.17255	2.6
286.04306	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	285.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
58.00595	3.2
59.01387	100.0
67.30305	0.7
70.55536	0.6
71.01388	45.7
72.99316	1.7
83.01397	1.0
85.02968	8.7
87.00890	1.3
89.02448	57.0
95.01401	4.1
101.02453	16.4
103.57925	0.7
104.24748	0.9
113.02466	13.6
119.03510	19.4
119.05009	15.4
120.99675	15.6
123.04482	1.0
126.39407	0.8
143.03622	2.6
161.04591	4.5
177.09192	1.8
179.05672	10.6
267.25171	0.8
285.03989	1.0
285.10062	0.9
285.13559	1.8
285.16953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56834	1.4
55.01897	11.2
55.09202	1.5
57.03450	19.5
59.01387	22.6
69.03472	10.1
71.01414	3.5
71.05017	27.3
73.02967	8.8
81.03456	97.2
81.07113	7.8
83.05048	12.6
84.02155	14.9
85.02949	2.7
85.06569	2.5
93.03443	2.7
95.05022	9.0
97.02927	2.1
97.06574	16.6
99.04513	100.0
106.04226	2.3
107.05045	3.0
109.06597	7.6
111.08158	2.1
115.07635	1.9
121.06587	4.1
123.08186	2.8
124.05258	1.8
137.09654	2.4
139.07733	2.1
149.09653	2.1
163.11295	17.3
176.00162	1.8
181.12367	7.9
229.46751	1.9
239.17407	1.8
248.11807	1.7
251.16663	2.1
285.13797	2.8
285.17047	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	283.1917
Annotation	Actinolide B
Peak:m/z	Relative Intensity
52.97614	0.5
59.01385	6.8
63.41257	0.5
69.04859	0.6
71.97991	0.6
95.05049	1.0
97.78071	0.6
110.77985	0.6
113.06102	0.6
121.06564	1.1
135.08063	0.7
137.09721	66.5
185.58504	0.7
189.16507	1.2
201.02562	4.1
205.15947	4.8
207.17567	25.2
251.16547	18.5
283.19177	100.0
283.25974	5.1
284.19577	0.8
302.19064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0408
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.80374	0.3
53.57089	0.2
57.03463	1.3
58.00637	0.3
59.01389	2.7
59.15770	0.3
63.02416	1.5
64.71494	0.3
65.00329	4.0
68.26577	0.3
69.03482	0.6
71.01394	1.2
71.05031	1.3
72.56994	0.3
73.02946	2.1
73.24972	0.3
81.03472	0.7
83.01360	2.1
83.05043	1.2
85.02953	0.5
85.06599	0.3
93.03498	0.4
95.05051	0.4
97.06600	1.6
99.04501	0.7
105.03503	0.5
107.01401	6.8
109.06631	0.7
115.07655	0.5
121.02991	1.3
121.06576	0.5
123.08162	0.6
129.82005	0.3
132.02179	0.4
133.02963	43.6
137.09744	8.8
139.07677	0.4
139.11192	0.3
145.02980	0.4
149.02454	5.0
151.00398	11.5
151.11275	0.4
153.09224	0.3
167.10704	0.3
169.01422	0.4
171.04546	0.5
175.04007	6.5
179.14468	2.2
184.24649	0.3
185.06068	0.3
187.04065	0.5
189.05577	0.4
193.64450	0.3
197.06122	0.7
198.03236	1.3
199.04054	5.2
201.01985	2.3
201.28938	0.3
213.05656	0.5
215.03539	1.2
217.05112	2.7
223.04041	0.4
223.13387	0.7
225.07719	1.9
229.05118	0.3
241.05075	1.5
241.14574	0.4
243.02994	1.2
257.04602	0.7
267.12384	0.3
267.16025	0.7
284.15997	0.3
285.04089	100.0
285.13452	3.7
285.17096	5.8
286.04486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06050	3.8
54.83215	4.4
57.03464	29.3
59.01382	55.0
69.03455	10.9
71.05051	7.9
73.02976	5.9
76.58639	4.2
81.03469	7.1
83.05050	5.5
85.02957	5.4
95.05036	20.3
97.02929	46.7
98.03767	28.5
99.04527	27.6
108.02197	9.8
109.03034	5.9
109.06586	45.6
122.03738	6.4
127.07641	10.5
130.82143	5.6
135.08211	5.2
137.06145	7.9
139.11243	4.5
151.11298	25.6
151.36456	4.2
153.01944	6.1
153.12843	8.5
159.08255	5.3
161.09782	20.3
165.12962	4.7
179.14458	5.9
181.05086	7.8
195.17612	5.7
201.02553	6.5
203.14464	79.4
221.15479	69.6
223.13448	24.2
239.16656	35.4
247.13411	7.4
265.14566	35.6
266.15311	61.7
283.15527	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	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.50287	0.2
55.77513	0.3
59.01382	8.7
66.76826	0.3
69.20226	0.3
71.01390	0.3
73.02962	0.4
83.05013	0.6
106.04271	0.4
107.05036	96.5
108.05392	0.6
111.08129	0.3
123.01075	0.3
123.04567	0.4
131.40120	0.3
147.08209	0.4
163.11302	100.0
164.11592	0.6
165.67395	0.3
165.98640	0.4
166.71431	0.3
169.53415	0.3
201.02574	4.2
221.15526	0.4
283.17090	65.0
283.26379	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	283.1917
Annotation	Actinolide B
Peak:m/z	Relative Intensity
55.62380	0.8
56.97063	0.8
62.50638	0.8
64.76906	0.8
69.72100	0.8
71.52122	0.9
72.15515	0.9
109.21067	1.1
112.40717	0.9
113.24743	0.8
137.09723	59.2
147.06305	1.0
185.00537	1.0
205.15984	2.2
207.17577	19.8
251.16611	7.7
283.19168	100.0
303.21185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75724	3.5
57.03457	100.0
59.01395	20.7
69.03481	6.6
70.45818	3.3
71.01380	9.6
71.05028	29.4
71.05368	3.7
73.02953	16.8
75.92703	3.4
83.05045	4.3
84.25928	4.4
85.02950	7.8
95.05025	7.6
97.06564	4.7
99.04538	5.7
111.08174	4.7
115.04034	39.9
122.52474	3.9
123.08075	4.7
135.08173	48.8
135.87453	3.9
137.09717	6.0
139.07613	5.1
149.09737	9.0
167.14444	5.2
203.14432	5.9
221.15469	19.7
249.15176	4.0
252.61008	4.5
262.55411	4.8
265.14630	4.5
283.15509	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
52.17370	0.6
57.03463	42.0
59.01405	6.6
59.46979	0.6
60.99295	0.8
69.03465	1.7
71.01392	1.8
71.05029	3.1
72.02174	4.2
72.99333	0.7
73.02956	4.9
81.03466	1.0
83.05049	5.2
85.02953	8.4
87.04514	8.4
91.70945	0.7
92.10773	1.8
95.05005	1.6
97.06612	4.5
99.04549	0.9
99.08157	10.4
109.06599	3.2
111.04515	0.9
111.08147	4.8
113.06103	0.8
123.08171	1.9
125.05999	0.8
125.09683	1.3
133.10245	4.0
137.06033	1.1
137.09726	3.4
147.08167	0.8
151.11279	7.3
153.09184	1.3
158.68532	0.8
163.11272	1.5
165.09219	1.1
165.12837	1.0
170.72032	0.7
177.12903	2.7
179.10814	1.3
181.12395	1.4
195.10229	1.4
197.11865	1.8
203.14374	1.6
221.15437	3.5
233.01961	0.9
239.16594	1.2
255.02965	1.2
265.14560	3.5
283.15527	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	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83935	0.8
56.21057	0.7
57.03454	36.3
59.01383	25.3
69.03441	0.9
71.01394	3.4
71.05032	1.5
71.85098	0.9
73.02960	1.7
83.05016	1.9
85.02945	1.2
85.06605	2.0
90.50635	0.8
92.10687	1.2
97.06577	1.0
99.04517	1.4
108.02209	3.7
109.06580	1.6
113.02435	1.0
123.08167	1.4
135.08243	1.0
137.06126	1.0
137.09747	6.3
151.11282	4.1
153.02017	1.1
158.39777	1.0
163.11287	1.3
169.12454	0.9
179.14421	4.0
181.05038	1.1
183.10149	0.9
189.12875	6.9
191.14442	1.5
201.02568	3.9
203.14584	6.8
203.16177	1.0
205.16003	100.0
221.15514	14.3
222.16058	0.8
223.13350	1.6
239.14485	1.0
239.16470	7.9
243.36530	0.9
244.39467	0.8
265.14465	4.4
266.15216	8.5
283.15591	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	283.1553
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.35320	0.9
54.82900	1.1
57.03452	36.2
57.03713	1.6
59.01387	17.2
59.01596	0.9
59.98528	2.1
65.62742	1.0
70.53214	1.1
71.05016	1.2
72.73225	1.1
73.02930	1.3
84.11884	1.2
85.06611	2.3
89.40010	1.2
91.18936	1.0
95.05077	2.0
99.04555	1.2
109.06592	10.8
111.08172	20.7
123.08158	1.8
126.82375	1.3
137.09766	1.8
138.06885	1.3
138.30986	1.1
145.05077	1.6
151.11284	1.5
155.07225	5.1
161.13361	2.3
163.07661	1.3
163.11290	1.8
167.06364	1.1
168.73822	1.3
169.30949	1.2
179.14438	4.7
181.12350	7.5
187.14920	2.2
189.12857	5.0
191.14484	1.5
193.12354	6.8
201.02512	2.1
203.14502	2.9
205.16005	100.0
221.15477	9.5
223.13452	1.5
225.11411	5.1
239.16585	1.5
240.06517	1.3
283.15536	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	283.1552
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
50.92978	0.7
57.03463	1.7
59.01391	2.3
69.03457	4.5
71.01366	1.3
71.05032	2.2
73.02931	8.8
81.03466	2.0
83.05043	4.4
85.02957	4.0
95.05004	1.5
99.04526	1.7
109.06604	4.0
110.99979	1.1
111.04522	1.6
111.08161	2.4
112.05304	2.3
123.08175	4.2
135.08168	8.1
137.09724	2.3
139.11295	1.9
140.08450	1.8
147.16118	1.1
149.09660	1.1
151.11298	30.2
153.09210	14.2
153.12808	1.1
155.10841	2.0
165.12840	4.0
181.12358	4.6
183.10310	1.6
183.13953	4.7
197.11862	4.0
209.11884	1.9
221.15524	9.3
227.12947	23.1
266.38760	1.0
283.15540	100.0
293.92236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1549
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
50.58946	6.3
53.60342	5.8
57.03447	75.6
59.01377	72.8
59.34179	7.1
60.78911	5.9
66.40569	6.1
69.03450	13.8
71.05025	15.0
81.03443	48.7
83.01417	6.3
83.05032	14.8
84.02182	10.1
85.02948	48.7
95.05020	9.8
95.35944	6.7
97.02951	30.3
97.06576	11.7
99.04507	80.8
104.59608	7.7
107.08656	34.2
109.06595	7.2
111.04511	9.1
111.20689	6.4
113.41087	5.9
115.03983	8.3
121.06593	9.7
122.03734	8.4
123.04625	6.3
123.08153	41.1
124.05295	37.0
125.09705	56.0
135.08180	9.6
137.09756	10.8
141.09216	7.3
149.09717	68.3
151.11316	9.6
159.40091	6.8
161.09676	9.6
162.06935	8.1
165.09268	6.9
167.10738	26.3
201.02585	9.1
203.14372	12.2
205.12325	32.0
213.87004	7.1
219.13707	6.9
221.11859	7.1
221.15462	15.7
247.13438	8.6
265.14343	15.7
276.85590	8.0
283.15518	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	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39135	0.4
59.01385	100.0
61.98841	0.4
65.09641	0.4
75.77267	0.6
79.58602	0.5
83.71695	0.4
83.74393	0.4
87.57133	0.4
97.47793	0.5
115.02554	0.7
139.94266	0.7
140.91800	0.5
141.18445	0.5
157.03590	5.0
159.01529	4.7
163.06110	0.5
201.02585	73.3
211.44809	0.5
230.94130	0.4
239.44928	0.5
246.76703	0.4
283.26407	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	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79870	1.4
59.01385	65.8
66.84824	1.8
70.82803	1.7
71.05015	1.9
73.02975	2.2
83.05039	1.8
87.00877	100.0
92.10806	4.2
100.90215	2.0
107.05035	2.3
108.02209	4.6
119.05046	4.0
121.06618	7.4
123.04539	4.4
124.01655	2.3
125.06075	4.6
135.04532	20.0
136.05330	18.3
151.07669	8.8
151.11330	2.5
151.79463	1.9
152.63625	2.2
155.50638	1.9
161.99939	1.9
177.12819	7.9
195.06662	93.9
195.13847	2.9
221.08211	3.4
231.82837	1.9
239.12903	12.5
253.07149	2.0
263.33908	1.8
283.08310	24.0
283.11911	19.2
283.15524	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	283.1553
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
54.83352	1.6
57.03452	10.2
59.01383	45.7
67.01935	1.8
68.99818	2.1
69.03455	42.6
71.01402	3.1
71.05028	8.7
73.02967	3.3
80.02694	2.3
81.03475	4.3
83.01388	1.9
83.05049	11.7
85.02962	8.3
92.67037	1.7
93.03455	11.2
95.01398	10.4
95.05018	17.9
96.02163	2.9
97.02945	100.0
107.05021	2.1
109.02982	3.9
111.04510	16.6
112.46509	1.9
113.02492	2.0
113.06102	8.9
115.04016	8.0
115.07655	2.6
121.02945	14.3
121.06592	2.7
123.08160	3.7
124.01630	2.5
137.02419	3.9
139.04042	31.3
142.03149	2.0
143.10808	3.8
149.09688	1.7
153.12868	2.1
163.07620	3.9
178.06364	2.2
179.10764	2.2
181.49875	1.9
201.02583	19.9
205.08717	3.1
208.77766	2.2
223.13408	11.1
248.54932	1.9
251.16493	2.4
258.23108	2.2
261.54852	1.8
265.14496	28.0
283.15610	55.0
283.26492	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	281.1759
Annotation	Gelcohol
Peak:m/z	Relative Intensity
57.03466	3.8
59.01389	6.6
69.03465	0.5
71.01403	0.3
73.81889	0.3
77.30640	0.3
80.02768	0.4
81.71130	0.3
83.05041	0.6
85.02987	0.5
135.04591	0.4
137.09685	0.5
147.08139	0.9
149.09723	0.6
161.09807	0.5
163.07657	0.5
163.11325	9.5
165.12846	8.6
187.14915	0.6
189.12843	4.7
203.14421	1.4
205.15985	8.3
219.13963	3.2
221.15486	0.6
223.36557	0.4
244.14838	0.4
249.14960	1.5
281.17603	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	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.23349	0.8
56.66854	0.8
57.03457	1.7
59.01385	12.5
61.98839	0.8
64.59995	0.8
69.03439	1.1
71.01376	1.3
74.70522	0.9
83.05048	2.2
92.10729	2.2
94.48664	0.8
95.05029	1.5
96.07131	0.9
108.83533	0.9
112.17833	0.8
113.06120	1.6
121.06576	1.7
135.08163	86.5
137.09761	9.1
146.26561	1.0
147.06552	1.1
171.64038	0.9
175.14803	1.0
181.95190	1.1
187.14911	9.5
189.95177	0.9
203.14352	1.5
205.15987	39.9
205.17900	2.0
220.35368	1.0
241.19153	1.0
249.14970	14.7
267.77597	1.0
281.14273	4.5
281.17590	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	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
54.38226	1.3
57.03449	2.8
59.01384	42.6
59.71748	1.1
69.03426	1.3
71.01395	2.3
71.05015	1.2
78.67564	1.2
82.36358	1.2
83.05032	1.9
83.95724	1.0
85.02969	1.4
95.63558	1.3
96.25728	1.1
107.05064	1.7
113.06104	1.8
116.92860	1.3
119.08620	1.3
121.06613	1.3
123.04516	1.8
123.69547	1.3
126.55080	1.2
135.08159	55.6
137.09731	8.7
148.41245	1.2
153.12787	1.6
187.14899	5.7
203.14561	1.4
205.16011	28.0
219.13820	1.6
219.17615	1.2
237.18660	5.0
249.14961	15.6
281.14157	7.6
281.17584	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	279.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00251	7.7
50.33497	8.1
52.96041	6.2
55.74642	8.3
59.01388	62.5
59.47012	7.3
71.01398	35.1
71.65784	7.4
72.99310	14.0
85.02972	9.4
92.10164	9.2
96.95999	100.0
101.02468	10.4
103.82645	11.1
108.99512	8.5
115.04019	20.7
117.66531	10.6
124.17061	7.9
164.07188	8.1
203.11743	10.1
279.05481	13.3
279.10178	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	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
56.67053	0.8
58.00600	1.2
59.01385	68.7
60.04229	0.9
69.88435	1.0
71.01381	27.3
71.05005	11.0
72.99300	1.6
73.02962	1.7
75.00890	1.0
80.65739	1.1
85.02957	6.6
87.00902	1.3
89.02439	28.8
95.01382	1.1
96.95998	1.0
99.04507	16.4
101.02437	13.9
113.02456	9.6
117.05568	44.5
119.03500	10.3
159.06670	1.2
219.12358	5.6
233.34015	1.0
238.48926	1.1
243.52435	0.9
279.10873	100.0
280.11053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
64.88393	1.3
65.11614	1.5
72.99043	1.3
75.46114	1.1
116.85321	1.7
130.28734	1.5
141.71249	1.7
200.32301	1.4
204.14119	1.4
279.23312	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	281.1396
Annotation	3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Peak:m/z	Relative Intensity
57.03460	22.4
59.01384	45.5
69.03481	27.8
71.01408	7.0
83.05057	25.5
83.91235	5.9
85.06615	12.3
92.10060	6.4
92.28592	5.4
95.05042	12.9
97.06608	22.5
99.04573	9.0
107.05078	8.1
109.06599	8.7
119.19130	5.1
123.08194	8.3
149.09755	20.4
217.12389	6.7
219.13902	40.7
237.15027	26.9
281.14023	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	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
54.55323	1.2
55.95863	1.2
57.03442	1.9
59.01383	33.2
60.10193	1.2
69.03449	2.8
71.01416	1.7
72.99304	1.7
83.05022	2.7
85.02969	1.3
135.08170	67.9
137.09729	8.5
142.31245	1.4
187.14961	6.3
201.12918	2.1
205.15988	35.4
219.13881	2.7
219.17497	2.1
249.14998	20.6
256.96143	1.5
281.14188	6.3
281.17593	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.50365	1.8
131.44392	1.9
134.39671	1.7
137.63200	2.0
189.94858	2.4
250.69226	2.0
277.21732	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	279.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29265	0.8
52.43916	1.0
54.74599	0.9
55.01894	0.9
56.51292	1.0
57.03164	1.1
57.03210	1.0
57.03455	62.3
59.01384	98.5
65.45591	1.0
69.03510	1.5
71.01378	28.8
71.05037	7.4
72.99326	4.4
73.02962	4.7
75.00879	16.5
83.01402	1.8
83.05038	2.0
85.02936	8.6
89.02437	23.1
95.01408	1.2
96.95997	9.3
98.95572	3.8
99.00874	1.3
99.04515	100.0
101.02443	40.9
101.06083	18.3
107.05051	1.6
111.04562	1.3
113.02428	8.0
117.05556	11.8
119.03542	1.9
123.04542	2.3
125.06104	5.0
129.05580	16.2
131.03496	2.2
135.03003	49.2
147.06641	53.0
161.04565	97.5
219.08829	5.0
219.12408	20.6
279.07327	15.2
279.10889	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83138	0.6
59.01385	0.5
75.41616	0.5
78.95915	49.9
96.95966	4.3
96.96967	100.0
97.51096	0.5
120.48226	0.5
190.43170	0.4
251.73091	0.5
275.91748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97877	0.3
59.01392	0.4
62.65801	0.3
66.86952	0.4
75.00878	1.9
76.84117	0.4
78.75958	0.4
78.95905	53.7
79.95734	0.5
90.28112	0.3
90.67029	0.3
96.96032	26.5
96.96960	100.0
136.96935	0.4
179.05672	3.0
213.01962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.093
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
51.49497	2.2
54.32699	2.1
55.01888	17.4
57.03458	12.2
59.01384	73.6
59.30947	2.8
71.01379	100.0
71.01765	3.4
71.05025	6.0
73.02938	33.9
78.95884	4.6
83.01402	13.9
85.02953	61.5
87.00886	4.7
89.02473	6.3
95.01395	6.3
96.96004	64.5
96.96983	14.3
99.00878	4.8
101.02440	55.1
111.04531	3.0
111.37725	2.6
113.02439	34.8
115.04012	32.5
159.02969	4.3
161.04555	18.3
194.86330	3.1
197.43211	2.7
217.10854	3.0
233.10245	4.1
269.63428	2.7
269.94086	2.8
277.09338	13.0
280.32956	3.2
283.49295	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	277.1293
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
56.53804	0.6
59.01394	36.8
66.15155	0.5
71.01396	13.0
76.34679	0.7
85.02979	2.8
88.51239	0.7
89.02445	15.6
99.08159	35.2
101.02431	0.9
127.07655	1.6
145.08719	100.0
202.92656	0.7
263.52890	0.8
277.12939	51.6
298.92212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	alhpa-tocopheronolactone
Peak:m/z	Relative Intensity
57.03468	11.5
59.01382	6.9
73.02942	2.3
88.34045	1.5
89.38425	2.0
111.73154	1.8
120.05815	19.9
133.06645	3.0
152.04839	8.1
154.06303	1.9
163.11290	100.0
175.11281	10.3
195.13911	2.5
202.64543	1.6
205.16019	10.3
233.15501	18.8
277.14474	90.1
277.18005	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	277.1445
Annotation	Hyrtiosenolide B
Peak:m/z	Relative Intensity
51.40862	2.2
55.40330	2.1
57.03458	3.6
58.78608	2.1
59.01379	9.6
60.33586	1.8
83.05052	5.7
95.04996	2.5
97.06586	15.2
102.50233	2.5
107.05023	4.2
109.77848	2.3
120.05834	13.1
133.06619	5.4
135.08167	99.9
135.09204	4.4
139.07614	2.5
147.08159	11.5
149.27525	2.8
152.91714	2.7
163.11261	37.4
173.09680	25.7
191.10809	4.9
194.92860	4.1
194.95551	5.9
201.09251	24.3
201.12822	2.9
205.12326	22.1
205.15955	4.8
231.13901	17.7
249.14969	100.0
259.10770	4.7
259.13397	81.6
277.14453	33.2
277.17532	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	275.1139
Annotation	Clandonensine
Peak:m/z	Relative Intensity
57.03472	6.2
59.01386	61.4
59.01690	2.2
66.85777	1.6
71.01402	2.7
71.05035	11.2
73.02939	3.2
75.00904	2.1
75.13483	1.6
78.65416	1.5
79.77609	1.6
80.72483	1.5
83.05034	2.4
97.02936	2.7
97.06566	2.3
99.04527	2.1
109.06634	3.1
113.09771	2.6
123.08189	3.8
125.09721	39.3
135.08188	2.7
143.10802	2.3
146.77788	1.8
151.07642	2.4
153.09221	26.4
162.74103	1.7
169.08702	9.0
171.10274	33.5
173.08250	3.2
186.05534	1.9
187.09808	8.9
197.08296	4.0
215.09286	100.0
233.10345	62.7
275.11374	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Clandonensine
Peak:m/z	Relative Intensity
57.03452	1.3
59.01379	100.0
86.33427	1.2
88.47853	1.0
92.10638	1.6
97.06565	2.1
98.87719	1.1
99.04498	2.5
102.95727	1.0
109.06579	7.7
111.08153	9.8
125.09702	20.8
127.07625	8.8
146.61140	1.1
151.07657	1.3
153.09227	11.6
155.07138	3.9
171.10248	55.1
173.08159	30.2
182.99004	1.2
197.08136	4.2
212.39954	1.1
215.09245	38.9
215.12666	8.3
233.10281	29.7
275.11356	21.1
285.36877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31329	0.2
57.90227	0.2
59.01391	8.6
92.10752	0.3
106.38685	0.3
116.92850	0.3
121.12017	0.2
167.49205	0.2
183.91785	0.2
193.12358	100.0
194.12773	1.1
225.94759	0.3
275.12692	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	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30129	0.2
53.03944	0.2
61.99295	0.2
77.66459	0.2
78.95894	18.6
79.95734	0.2
80.48672	0.2
84.56802	0.2
94.08560	0.2
96.95998	22.0
96.96915	2.7
104.13535	0.2
134.96078	1.2
136.93999	43.6
137.94037	0.2
148.99817	0.2
151.92648	0.3
178.94919	8.2
178.96431	0.3
196.92657	0.3
198.90565	20.1
214.93675	3.0
216.90681	100.0
217.90787	0.4
234.91762	25.0
240.91589	5.4
258.92340	12.4
276.92685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03463	0.6
59.01394	3.0
59.91311	0.6
68.57918	0.5
83.43970	0.7
83.73277	0.6
92.10208	0.8
103.02663	0.6
137.95114	0.6
220.88228	0.6
225.22258	4.7
253.21806	2.7
269.21326	1.3
271.22809	100.0
294.72614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1345
Annotation	oscr#7
Peak:m/z	Relative Intensity
59.01384	15.4
73.02943	2.6
83.05043	3.6
96.86397	1.9
97.06589	7.7
98.00089	4.7
99.00896	3.1
99.08182	1.7
101.06113	2.4
105.47937	2.0
114.51737	2.0
125.09723	7.6
139.11296	2.8
151.11287	28.0
152.73209	1.9
165.12851	18.6
167.14418	100.0
174.89557	2.0
185.15448	4.6
193.12369	3.3
211.13454	35.0
229.14418	13.7
255.12416	71.5
270.85690	2.1
273.13467	89.1
273.16434	2.9
273.20557	3.5
281.36017	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	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
54.78356	0.7
57.03461	4.1
57.98651	0.8
59.01386	24.1
59.01654	1.4
66.74998	0.7
69.03468	1.4
71.01397	4.1
71.05018	1.0
73.02943	7.5
83.05055	4.4
85.02968	4.9
85.06626	3.5
87.04536	3.6
95.05057	1.1
97.06561	2.1
99.04547	1.5
115.04070	0.9
123.08163	1.0
127.76078	1.0
137.09731	1.7
139.11304	5.5
151.11192	1.2
153.12883	1.6
165.12881	6.9
167.14366	0.9
169.12372	3.6
176.08452	1.5
179.14430	1.4
181.12291	1.6
183.13878	2.1
185.13330	1.8
187.14938	26.6
189.12898	1.8
203.14458	1.2
205.16019	11.6
213.11409	1.2
213.14981	1.0
223.17101	2.0
227.12892	1.7
233.15564	4.3
241.18044	1.4
271.11853	3.1
271.15533	6.1
271.19177	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	271.1917
Annotation	Actinopolysporin A
Peak:m/z	Relative Intensity
57.03450	29.8
69.03158	2.7
69.03446	22.6
71.05023	36.3
83.05058	11.9
85.06631	6.3
87.04509	62.4
92.10746	3.8
97.06618	3.1
109.06591	12.5
113.09740	11.4
116.06396	2.8
127.07671	34.6
147.11757	10.6
155.10747	4.5
163.81099	2.6
165.12880	11.4
183.13921	100.0
195.14020	3.8
239.95601	2.9
271.19147	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
54.01495	0.6
57.03457	4.3
59.01390	1.2
66.88726	0.6
68.75566	0.6
71.01391	5.4
73.02944	4.1
85.06615	1.2
87.04554	1.3
99.00869	0.8
111.08134	1.2
134.23604	0.6
137.09738	6.4
139.11320	0.9
153.12860	9.2
155.14412	0.7
165.12848	2.8
167.14450	3.5
177.12918	0.7
191.14413	1.0
195.13930	6.4
209.15570	1.0
217.16003	1.5
235.17014	4.9
253.18019	5.2
271.15726	7.0
271.19171	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	271.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84729	0.7
54.29511	0.8
54.83188	0.7
55.01900	0.7
57.03455	5.4
59.01383	14.2
63.02396	6.4
65.00325	11.9
71.01366	6.9
71.05052	1.1
73.02944	1.8
75.00874	0.9
83.01390	6.9
83.05024	2.0
85.02972	3.4
85.06576	1.1
87.04532	1.3
93.03448	4.4
97.06589	0.9
98.27964	0.8
99.04501	1.0
103.58298	0.9
107.01393	18.0
107.05125	0.9
109.06627	1.3
111.08182	1.4
117.03447	1.3
119.05022	46.1
120.05354	0.7
121.02893	0.7
125.09750	1.0
127.07632	1.0
134.64040	0.8
137.09749	6.3
139.11267	1.0
151.00381	37.3
151.11336	1.0
153.12877	9.3
153.96559	0.7
161.06111	0.9
165.01956	1.1
165.12857	3.8
169.01421	0.9
177.01918	4.1
179.14362	1.6
181.12338	1.1
183.13994	1.2
185.06123	1.2
187.04008	3.7
191.14481	7.1
195.13908	4.7
205.15933	0.8
217.15991	5.5
219.14001	1.2
227.07231	1.0
235.17027	6.5
253.14410	1.5
271.06174	38.8
271.15610	12.9
271.19165	100.0
272.19568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93889	0.8
53.27727	0.7
56.08435	0.9
56.13439	0.8
57.03445	2.1
59.01375	31.0
59.01656	1.9
70.79382	0.9
71.01392	7.1
71.04998	1.0
72.46754	0.9
73.53867	0.9
76.40971	1.1
94.31541	0.9
108.75801	0.9
109.06588	1.5
111.08151	1.2
125.02418	8.1
132.69060	0.9
135.57298	0.9
137.09700	5.5
151.11259	1.3
153.12831	26.2
165.12805	3.7
170.35091	0.9
177.12862	1.8
179.14386	2.0
181.12260	1.1
181.15923	13.2
191.14412	12.1
209.15469	57.7
213.15062	4.7
225.14981	16.9
227.16498	4.9
236.59032	1.0
253.14420	27.9
271.15503	100.0
271.19012	14.2
283.38708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51334	0.5
53.01312	0.5
57.03457	1.2
58.00599	1.5
59.01382	8.8
71.01380	7.0
72.99307	3.4
73.02943	0.9
75.00884	1.0
79.48705	0.6
85.02905	1.1
85.06589	0.6
87.00891	1.0
97.06612	2.8
99.04500	0.8
101.60107	0.7
109.06567	1.0
111.08138	1.2
115.07667	1.7
137.09735	3.6
139.11273	4.2
150.92262	0.6
151.11299	1.7
153.12860	19.0
165.12868	1.3
167.14482	5.4
169.12354	1.2
169.15964	0.6
179.14433	6.8
181.12367	15.2
181.15990	3.0
183.13930	0.7
189.12767	1.1
191.14441	6.0
195.13910	1.2
197.15565	4.9
204.08078	0.7
207.13950	2.9
209.15462	8.9
225.15057	5.7
227.16583	1.3
235.13379	3.3
253.14423	6.8
255.83994	0.7
271.15549	100.0
279.38803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1189
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
58.63854	1.7
59.01375	14.9
72.14106	1.5
73.02944	1.7
95.05054	3.7
101.06070	21.1
106.04243	2.1
107.05056	7.7
110.05984	1.8
139.04005	18.2
151.04028	32.8
163.11267	2.8
165.12831	37.0
183.11429	2.3
183.13908	72.3
209.11768	12.9
225.78735	1.7
227.12935	16.8
253.10826	100.0
271.11917	27.7
271.15491	8.9
271.18533	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	271.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10619	1.1
53.46132	1.1
56.58890	1.1
57.03462	14.5
57.06404	1.1
59.01390	25.0
60.49994	1.1
61.48214	1.3
63.96781	1.1
71.01368	2.8
71.05030	9.2
72.44999	1.2
72.99326	3.0
73.02946	1.2
78.90004	1.1
83.05016	2.4
85.06624	1.5
87.04485	1.3
97.06576	1.6
99.04534	2.5
109.06599	1.3
113.06152	1.4
115.04018	12.9
125.09736	5.4
127.07616	1.4
137.09747	2.4
139.11282	2.0
151.11295	1.7
155.10747	2.1
165.12827	1.9
170.21410	1.2
179.14420	7.4
182.78262	1.3
191.14474	10.1
209.15526	34.1
227.16611	2.3
237.18648	14.3
253.14499	11.5
258.17654	1.5
271.15555	100.0
271.18857	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28973	1.6
57.03466	4.0
59.01384	16.0
59.01642	1.6
60.34741	1.3
69.03474	13.6
71.01403	4.2
72.99320	2.8
83.05048	3.0
83.28492	1.6
85.06615	2.6
87.00887	3.0
87.04539	1.8
92.10093	2.1
92.66080	1.8
95.05008	1.8
97.06613	2.5
109.06599	6.8
111.08176	3.8
115.07661	4.4
118.39211	1.6
125.09724	2.5
127.07606	6.1
139.11334	7.2
153.12865	14.2
165.12892	2.1
167.14357	3.3
179.14375	3.0
181.12372	14.3
183.13905	3.0
191.14363	6.8
197.15527	2.1
207.13936	3.5
209.15477	6.6
218.85806	1.8
225.15103	3.3
235.13348	2.3
253.14539	3.5
271.15582	100.0
271.19135	16.0
291.47916	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	271.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44889	0.4
75.23229	0.4
78.95902	39.0
79.95746	1.9
96.96011	100.0
96.96961	66.9
112.98968	0.4
124.98768	0.6
125.22681	0.5
142.99881	5.6
173.00882	2.2
221.93736	0.5
283.06277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0226
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
52.81003	0.3
58.44719	0.2
61.50189	0.2
62.80169	0.2
64.88115	0.3
65.27610	0.2
71.01396	1.2
78.95903	53.5
79.95742	0.4
84.09673	0.3
96.96014	34.5
96.96970	100.0
99.00868	0.3
124.98839	0.4
142.99855	7.3
151.94910	0.3
173.00902	3.3
188.63087	0.3
201.32756	0.3
256.92227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.92971	0.7
57.03459	1.0
59.01402	4.9
63.02402	15.9
65.00330	23.8
69.03455	0.9
71.05041	1.1
83.01402	14.6
85.02982	1.9
93.03457	18.2
97.06592	1.2
101.06128	1.1
107.01391	34.9
111.48648	0.7
117.03460	1.0
119.05024	100.0
120.76794	0.8
145.02914	1.4
151.00381	71.2
155.47783	1.0
156.49812	0.9
161.06126	1.9
163.72171	0.9
165.01903	3.8
169.01445	3.6
177.01898	10.7
185.05998	1.1
187.04036	4.7
189.50066	0.9
227.16283	1.1
271.06143	84.6
271.15469	11.2
271.18500	3.6
290.16861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00481	23.6
51.81465	20.2
58.84164	20.3
59.01382	61.0
70.99638	29.8
78.95914	43.3
87.00883	32.0
96.96011	100.0
101.36603	25.7
117.97662	23.6
152.91708	35.9
160.45392	23.2
220.19336	28.4
279.04739	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96606	0.3
54.88833	0.3
56.97109	0.3
57.03449	0.9
59.01384	100.0
73.98206	0.3
78.11362	0.4
79.05537	0.5
79.12263	0.4
83.05048	0.4
91.33232	0.4
97.06590	15.8
99.04530	0.4
120.95697	0.4
127.45135	0.4
131.08669	0.6
132.35889	0.4
141.05640	0.5
149.09793	0.5
167.10756	3.9
174.01680	1.8
211.09724	1.6
213.53383	0.4
271.11899	1.5
271.15228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	37.2
59.01386	17.8
69.03448	19.7
71.05018	11.1
73.02614	2.6
73.02931	24.8
75.68855	2.5
76.56283	2.4
83.05038	10.5
84.02186	3.7
85.06579	6.1
93.07114	3.4
95.05031	13.0
97.06565	5.3
99.04514	11.8
109.06596	5.2
111.08173	10.8
113.06099	4.3
114.42925	3.2
116.33914	3.0
123.08138	3.3
147.11798	21.0
189.12865	21.7
207.13896	3.4
215.14514	3.6
221.15514	3.3
222.32466	2.9
225.14932	4.5
239.16597	2.9
251.12967	4.6
269.14386	6.4
269.17560	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	270.9769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76940	0.2
63.88387	0.3
64.20554	0.3
66.83972	0.3
70.54919	0.3
71.01378	0.6
77.12798	0.3
78.95904	46.2
79.95746	2.7
96.96014	100.0
96.96963	84.9
110.49728	0.3
124.98822	0.4
142.99863	5.6
162.18300	0.3
173.00983	2.2
222.00047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03455	12.4
59.01377	5.5
60.38152	1.3
60.83578	1.0
68.12949	1.2
69.03461	1.3
70.01879	1.3
71.01364	1.6
71.05015	4.5
73.02949	7.9
81.03458	1.4
83.05041	7.9
85.02972	1.8
85.06580	1.9
95.05033	2.4
97.06581	23.4
99.00874	6.6
99.40832	1.2
100.25385	1.0
111.08141	2.0
115.80596	1.4
120.05814	1.4
123.04530	4.8
123.08203	3.7
125.09714	5.9
126.47233	1.1
135.08185	15.1
151.11316	1.2
159.08188	5.0
165.12843	2.7
171.08156	2.8
172.08875	2.6
181.16000	2.0
189.12721	1.5
191.14404	5.8
205.16014	1.9
207.13852	8.4
215.14449	58.7
225.15021	32.4
226.91443	1.2
233.15488	21.4
269.14050	14.2
269.17599	100.0
288.99121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	Fercoperol
Peak:m/z	Relative Intensity
55.01900	4.1
57.03449	29.5
58.08460	3.5
59.01390	48.6
69.03477	20.8
71.01407	7.6
71.05037	19.4
73.02948	70.9
79.51369	3.6
81.03473	24.2
81.07123	22.9
83.05034	26.6
85.02980	7.0
85.06619	5.5
92.10053	4.5
93.24641	3.7
95.05026	28.8
97.06572	33.1
99.04549	25.1
99.86997	4.7
101.02463	16.6
109.06606	56.1
111.08161	31.4
113.06151	5.5
121.06576	6.9
123.08114	13.8
133.06624	5.3
137.06070	42.1
137.09688	5.2
139.07683	62.6
149.09767	5.6
151.07664	8.9
151.11243	5.6
163.11302	9.3
169.08685	13.7
181.12280	5.0
196.57542	4.2
207.13901	6.1
215.14432	14.0
225.14931	7.9
233.15573	8.0
251.12816	4.2
269.13980	37.9
269.17603	100.0
270.93146	4.5
277.03445	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	269.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43155	2.1
57.03460	6.2
58.00640	2.2
59.01398	5.2
69.03466	3.2
71.05032	5.6
71.21053	2.3
73.02956	3.8
76.57926	2.6
81.03452	3.6
83.05048	3.9
84.02172	4.1
85.02936	2.8
97.06608	2.9
99.04534	3.3
109.06584	3.6
113.16183	2.3
113.89721	2.4
137.09732	3.8
151.11331	3.8
155.49278	2.9
169.12352	34.0
177.12906	16.7
179.94789	2.5
193.12395	6.2
195.13924	50.3
203.14464	5.8
207.14058	3.0
221.15640	6.2
225.15071	4.0
239.16525	69.9
240.02382	2.3
242.47159	2.6
251.16508	10.6
269.14072	10.8
269.17612	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	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.3
57.03458	24.6
59.01384	30.8
63.76427	3.5
63.86105	3.2
64.26088	3.1
69.03468	17.0
71.01396	17.5
71.05016	44.6
73.02947	39.9
73.03288	3.4
80.62321	3.0
81.03456	98.6
81.07112	20.2
81.47339	3.4
83.05031	30.4
84.02182	7.5
85.06606	4.0
92.10864	3.4
94.36683	3.4
95.05042	19.9
97.06597	25.5
99.04516	89.3
101.02415	4.9
107.05048	5.8
109.06606	37.8
110.62140	3.7
111.08173	5.9
113.28654	3.6
121.06615	8.6
137.06096	22.2
139.07672	49.3
139.94681	3.4
146.59131	3.4
151.07709	5.0
163.11327	8.3
163.63054	3.5
169.08711	13.3
180.59393	3.6
189.12833	3.5
197.51427	3.4
199.13435	7.0
207.13921	35.4
225.14934	18.4
250.31859	4.2
258.78723	3.5
269.13962	100.0
269.17535	36.0
271.51559	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	269.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	46.2
59.01385	10.5
64.07097	10.0
65.25311	8.2
69.03469	12.4
73.02963	17.0
83.05031	13.2
85.02969	9.5
85.06609	16.2
95.05016	100.0
97.06559	15.1
101.91322	10.0
113.06085	12.1
115.07646	88.4
124.05333	38.6
141.09206	9.6
151.11206	12.5
163.11353	73.4
181.12381	12.4
269.17529	16.8
288.80591	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	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.39597	0.8
54.82970	0.9
55.21471	0.9
55.26414	0.8
59.01386	8.6
74.22637	0.9
80.20074	1.0
83.05026	11.0
85.44007	1.0
87.00871	100.0
90.04489	0.9
93.22519	0.9
95.83984	1.0
99.08161	13.2
103.72382	1.0
111.08252	1.1
123.08188	1.6
125.09718	25.2
127.11321	1.2
137.30380	1.1
146.83810	0.9
165.12897	1.1
165.88376	1.2
178.23433	1.0
207.17523	18.0
216.86499	1.0
249.06519	0.9
251.16536	33.3
269.17700	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	269.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41877	2.2
57.03461	11.9
69.03485	3.1
71.05045	4.7
72.22609	2.0
73.14162	1.9
79.66842	2.3
81.03452	2.8
92.10162	4.3
121.06656	3.1
123.08168	5.4
135.46191	2.6
169.12358	54.1
189.96394	2.3
211.13344	2.7
229.84804	2.7
251.16466	5.5
269.14325	3.5
269.17633	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	269.1759
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
54.23356	3.0
55.56772	3.7
57.03455	14.1
58.00618	3.3
59.01402	18.1
65.55359	3.2
69.03466	3.8
71.01386	4.3
71.05029	4.4
71.72554	3.7
72.99299	3.6
73.02966	27.9
85.02957	67.7
85.06604	4.8
87.04520	100.0
95.05019	19.5
97.06596	6.5
111.08156	4.4
115.07664	25.6
137.09756	4.3
139.11249	5.0
151.11237	7.6
153.12871	74.6
163.11327	7.1
181.12347	39.0
183.13950	37.3
191.14426	3.8
207.13957	5.3
209.15511	54.4
233.15479	8.9
251.16568	15.2
269.17612	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
56.96235	8.3
57.03471	37.3
58.00610	7.6
59.01384	18.2
69.03481	12.4
69.04889	9.8
71.05041	20.9
73.02930	11.6
83.05064	12.7
85.06607	13.4
89.03561	10.1
92.10718	8.8
95.05022	100.0
97.06593	18.1
115.07669	71.7
120.05759	8.7
123.08132	8.7
124.05308	37.9
124.81355	8.0
131.16141	7.6
141.09241	11.7
151.95897	10.8
163.11316	62.8
164.63742	8.3
181.12419	13.3
195.13992	10.6
251.16635	11.0
269.17627	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
57.03462	28.5
58.00593	5.4
59.01398	29.4
59.84853	4.1
69.03450	7.1
71.01390	8.7
73.02954	50.6
83.05045	10.0
85.02955	84.5
85.06624	12.0
87.04523	97.3
92.10100	11.3
95.05027	39.3
97.06618	11.3
103.86248	5.3
107.13120	5.3
113.06112	5.9
115.07648	50.1
124.05331	9.4
137.09744	20.7
139.11354	5.8
151.11336	10.3
153.12866	100.0
163.11285	43.0
174.70306	5.4
181.12325	43.5
183.13954	39.0
198.74420	5.7
209.15503	68.5
213.67226	5.5
233.15469	6.5
251.16544	10.6
264.58099	6.2
269.17569	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	29.0
55.32428	3.7
57.03448	5.2
59.01385	7.6
69.03457	9.7
70.93161	3.8
71.05031	18.7
72.29717	4.1
81.03474	4.4
83.05032	30.0
85.06609	7.4
90.33498	4.6
97.06602	8.7
108.05281	4.4
111.08173	100.0
111.44086	4.2
125.06086	6.0
163.11308	7.9
172.93581	4.0
190.55995	5.0
203.74083	3.9
229.22389	4.2
269.17554	9.0
277.87076	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	37.2
59.01387	7.2
67.81292	6.1
69.03462	53.2
71.05018	100.0
81.03448	64.3
81.07111	7.9
83.05042	29.4
84.02158	8.2
85.06607	10.5
87.04539	12.3
88.25674	6.3
96.43244	6.6
97.06592	9.5
99.04528	29.8
99.08140	48.3
107.04997	6.8
109.06586	29.3
111.08163	41.7
121.06598	10.1
121.37934	6.5
123.08179	15.7
133.95743	6.6
135.72771	6.2
141.09225	24.6
151.11298	13.7
155.10841	7.0
160.54816	7.1
163.11292	67.1
169.12364	54.5
179.10721	11.1
181.12363	40.9
199.13422	8.1
226.42892	7.3
233.15591	8.3
251.16577	9.9
269.17630	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	29.4
58.06593	2.1
59.01389	5.3
62.05410	2.2
62.62836	2.0
69.03471	10.1
71.05034	13.6
72.91917	2.2
81.03467	3.3
83.05043	14.0
83.10542	2.5
85.06618	5.3
86.16560	2.3
95.05035	4.1
97.06606	19.2
99.04517	100.0
109.06612	5.1
111.08167	11.3
121.06635	4.5
123.08144	30.9
125.09680	3.9
127.07666	4.0
130.68552	2.5
137.09749	2.8
139.07661	5.5
142.51553	2.1
143.33167	2.7
152.08485	4.9
155.10771	2.5
163.11307	9.6
169.12315	4.0
186.37608	2.4
196.55411	2.4
207.13890	2.7
219.61963	2.5
225.11395	4.6
239.12927	32.5
239.16756	3.7
251.12926	89.2
269.13943	50.7
269.17035	5.4
275.37039	2.7
289.28464	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	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.7
57.03459	37.8
66.76914	3.7
68.96031	4.0
69.03457	55.6
71.05021	100.0
81.03442	68.4
81.07106	8.9
83.05052	21.3
84.02195	22.4
85.06614	18.3
92.10153	6.0
97.06602	21.2
99.04497	43.0
99.08160	59.3
104.62968	3.9
106.65196	4.0
107.05009	5.3
109.06596	26.7
111.08168	8.5
123.08199	8.6
127.07679	22.0
139.90204	5.1
141.09254	21.7
144.99171	4.5
145.10239	10.2
151.11299	20.4
163.11302	74.6
169.12325	91.5
179.10783	21.0
181.12375	10.4
233.15428	8.9
242.10652	4.5
251.16650	19.7
269.17642	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98835	100.0
64.84129	0.3
66.44336	0.3
69.47937	0.3
71.01374	0.3
108.03551	0.3
109.21499	0.3
143.00052	0.3
172.47482	0.3
272.81573	0.3
273.98856	0.3
282.04321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47124	1.4
57.03463	3.0
58.38877	1.6
59.01392	12.3
59.89848	2.0
60.99287	2.1
71.01396	11.1
71.05035	3.9
72.73524	1.9
73.02959	2.7
81.03465	7.2
81.07109	2.6
83.05051	11.7
85.06600	3.3
87.11098	1.9
95.05029	3.6
97.06560	13.3
99.04539	8.8
99.08195	2.5
109.06596	8.4
114.39421	2.0
116.92332	2.0
121.06600	2.3
123.08169	4.7
123.61646	2.2
125.09735	3.2
137.09756	4.1
139.07684	8.2
141.09218	4.6
153.09225	1.9
169.08772	3.2
177.52974	1.9
181.16031	4.7
185.66878	1.8
190.78693	1.9
207.13947	35.4
225.14986	15.3
269.13980	100.0
269.17557	20.1
274.06815	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	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47124	1.4
57.03463	3.0
58.38877	1.6
59.01392	12.3
59.89848	2.0
60.99287	2.1
71.01396	11.1
71.05035	3.9
72.73524	1.9
73.02959	2.7
81.03465	7.2
81.07109	2.6
83.05051	11.7
85.06600	3.3
87.11098	1.9
95.05029	3.6
97.06560	13.3
99.04539	8.8
99.08195	2.5
109.06596	8.4
114.39421	2.0
116.92332	2.0
121.06600	2.3
123.08169	4.7
123.61646	2.2
125.09735	3.2
137.09756	4.1
139.07684	8.2
141.09218	4.6
153.09225	1.9
169.08772	3.2
177.52974	1.9
181.16031	4.7
185.66878	1.8
190.78693	1.9
207.13947	35.4
225.14986	15.3
269.13980	100.0
269.17557	20.1
274.06815	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
58.00601	54.2
59.01385	21.5
59.62801	1.5
59.98518	2.8
63.14857	1.6
71.01398	2.8
73.02945	27.8
83.04985	2.0
83.62639	1.7
84.77944	1.8
91.35806	1.5
94.70733	1.6
97.02966	2.9
100.71472	2.0
106.68513	1.6
107.05025	3.0
135.08157	2.0
141.09209	3.5
149.09726	4.5
153.09219	2.1
163.11296	2.0
180.78957	2.6
203.14308	2.3
205.16055	16.2
223.17078	100.0
233.15521	3.6
235.13431	4.2
249.14896	3.8
267.16077	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08232	1.1
57.03454	12.9
58.38251	1.1
59.01381	8.3
69.03474	1.2
72.99318	4.8
73.02962	1.5
83.05040	5.0
95.08681	5.0
99.04531	1.4
109.06615	1.6
110.44466	1.2
111.08157	2.3
121.40708	1.1
134.64577	1.3
137.09676	8.2
139.11284	1.4
149.09753	1.3
165.12863	2.1
193.12379	1.3
193.15953	4.8
195.17567	7.7
205.15999	12.4
221.15529	1.6
223.17108	5.2
249.15001	7.2
267.16046	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	267.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	6.4
58.00610	7.4
59.01406	18.3
61.80251	2.7
69.03506	3.4
71.05007	3.6
73.02940	5.1
75.00872	2.9
80.70150	2.6
83.05054	18.8
87.45515	2.7
95.05041	4.8
98.03762	19.8
109.06596	91.7
111.04566	11.8
121.06631	3.5
127.07651	100.0
139.07715	4.7
161.09695	4.5
178.60934	3.0
186.82321	3.0
189.12912	5.6
191.14421	37.2
205.16048	14.9
219.13885	3.9
221.15533	4.2
223.17072	15.0
245.11835	2.9
249.15062	13.0
267.16016	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	5.5
59.01385	80.1
62.62551	1.7
67.01942	2.1
69.47429	1.3
71.05022	3.4
83.05027	100.0
84.14267	1.5
85.06596	1.3
93.07117	2.4
109.06551	1.7
127.18821	1.5
135.08197	2.5
149.09740	2.1
151.11293	1.8
165.70847	1.6
179.14258	1.5
205.15990	9.3
212.32835	1.7
221.15596	2.2
223.16702	1.7
249.14955	8.2
257.78235	1.8
267.16025	36.5
283.80933	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.3
57.61750	1.4
58.00599	19.5
59.01384	9.9
65.69593	1.4
69.03474	2.6
71.01393	2.4
73.02948	53.1
74.92927	1.4
83.05049	1.6
85.02962	2.2
95.97501	1.4
97.02949	1.3
99.08101	1.7
103.89975	1.5
109.06627	3.4
117.74358	1.5
118.95072	1.9
123.08169	6.8
139.45505	1.5
141.09169	1.7
193.15973	7.6
197.12074	1.9
199.73965	1.7
201.85622	1.6
205.15950	10.7
223.17053	42.5
230.24969	1.5
249.15056	2.0
267.16049	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10773	2.3
52.92897	2.3
55.77142	2.8
57.03460	4.6
58.00603	36.5
59.01394	14.4
64.13893	2.6
69.03481	4.9
71.01388	23.5
72.99351	2.9
73.02920	3.3
83.05049	5.9
84.02171	4.2
85.02979	4.1
89.02501	3.5
97.02970	15.1
151.11301	4.9
161.09756	4.1
175.11313	6.3
179.10849	4.3
189.12790	4.1
205.15990	39.0
223.17027	60.1
243.47498	3.4
249.14999	5.7
267.16055	100.0
285.47726	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55317	2.6
54.82774	3.0
57.03460	7.7
58.89404	3.1
59.01384	33.3
69.03497	3.2
71.01385	6.2
83.05035	8.2
98.03746	13.2
108.02200	8.1
109.06626	37.1
125.09737	7.4
127.07662	59.9
137.09776	3.4
157.11313	3.1
189.16432	4.9
191.10657	3.1
199.68953	3.5
205.15932	33.2
221.15414	8.0
223.16995	18.1
249.14922	4.9
267.16040	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	267.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53002	2.3
57.03458	3.9
58.00601	83.5
73.02950	6.5
83.05045	4.6
96.20284	2.8
121.06609	4.6
126.61136	3.4
149.09744	3.8
149.89081	3.0
176.71176	3.3
189.12875	6.9
203.14439	12.5
205.15996	68.4
206.16241	3.8
219.13882	3.7
219.68533	3.0
223.17052	100.0
267.16034	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08752	1.0
57.03456	64.6
59.01390	3.3
76.25516	1.2
77.97325	1.2
82.91721	1.2
92.10194	1.6
107.82298	1.2
109.06597	1.3
135.08173	1.4
151.11319	2.5
165.12860	15.3
189.12881	5.6
194.35376	1.4
195.13989	1.5
203.14580	9.4
205.15991	51.5
221.15559	1.8
223.17014	6.6
224.25710	1.3
249.14902	5.3
267.16031	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	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70038	0.8
57.03448	1.6
59.01378	1.8
68.76586	0.8
84.02171	1.2
103.17548	0.8
107.05025	0.9
113.85870	0.9
117.12939	0.9
124.06288	1.0
135.08182	1.7
160.01309	1.0
161.27782	0.9
205.15994	21.5
223.17075	100.0
249.14890	1.2
267.16046	57.9
268.16324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	14.6
58.00617	2.4
58.10331	2.1
59.01385	40.7
71.01405	10.2
71.76273	2.0
72.02163	14.5
73.02956	12.9
76.57738	1.9
87.11057	2.2
91.07894	2.1
92.10738	2.9
96.44494	1.8
111.08179	3.0
114.39610	2.2
137.09790	3.5
139.11140	2.5
147.08211	3.1
151.11296	3.2
153.12808	2.4
163.11298	8.1
165.12874	4.4
167.14360	2.5
179.14413	8.0
189.12929	13.9
193.12375	53.9
203.14507	3.7
205.16028	42.8
207.13826	4.6
217.99634	2.1
218.66107	2.3
221.15375	2.3
223.17087	62.5
235.13380	12.7
249.14951	9.6
262.63760	2.2
265.20789	2.2
267.16052	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	267.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67502	1.4
53.00943	1.4
54.69868	1.9
54.85820	1.6
55.01884	1.5
57.03457	24.7
59.01387	51.6
69.03475	10.1
69.75120	1.9
71.01377	2.9
71.05020	4.3
73.02944	3.0
80.02666	2.5
81.03469	8.8
81.07138	1.8
83.05038	10.4
85.02978	2.3
85.06589	3.8
87.04531	1.9
92.10688	3.3
92.65509	2.1
95.05015	12.6
97.06609	8.6
99.04535	3.5
107.05062	3.4
109.06590	10.4
111.08141	13.1
113.06045	2.2
121.06580	8.9
123.08160	25.2
125.06094	11.5
125.09730	8.7
127.07657	9.3
135.08202	3.8
137.09776	3.7
139.07678	3.1
151.11215	7.8
161.09726	2.2
161.13341	2.8
163.11284	9.9
163.41821	1.8
165.09190	2.5
165.12773	3.0
167.10794	9.7
167.14372	4.0
174.42128	2.0
177.12836	4.2
179.14438	40.8
186.37601	1.9
205.12358	11.8
205.15887	2.5
207.13977	3.1
223.13443	52.8
223.16888	14.7
229.92667	1.9
237.14905	2.6
249.14896	2.9
255.99855	2.1
267.12411	44.6
267.16037	100.0
280.03226	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38127	0.7
57.03448	10.8
59.01379	16.6
61.23365	0.8
64.34588	0.8
68.05811	0.7
71.01371	0.9
71.05018	3.9
75.14642	0.8
79.66811	0.7
81.03459	1.5
83.05030	5.2
85.02951	1.4
97.06576	4.9
99.04525	1.8
109.06561	1.7
111.04542	1.5
113.06078	1.0
123.08163	1.8
137.09717	3.6
141.09155	1.0
149.09703	2.1
151.11220	1.4
154.31947	0.8
161.09709	1.7
162.44855	0.9
167.10767	3.4
174.51965	0.9
179.10786	1.3
205.16008	4.6
207.13849	1.2
219.13895	1.5
221.15480	3.2
223.13383	4.2
223.16939	2.8
237.15044	1.2
249.15007	5.8
267.12888	3.3
267.16003	100.0
281.32553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91943	2.6
55.20452	2.8
57.03453	19.3
58.00599	7.0
59.01391	22.7
64.24731	2.7
65.03967	14.7
66.63025	2.9
69.03429	4.0
71.05031	6.9
74.03539	3.8
76.37804	3.5
78.58479	2.9
81.03471	4.8
83.05029	57.1
95.05030	8.0
97.06593	5.7
107.05028	5.6
109.06594	13.6
109.92008	3.0
121.06564	20.8
121.51902	3.0
123.08138	15.6
127.07619	5.3
135.55051	3.3
139.07654	6.0
153.09209	6.5
153.12898	6.2
163.11415	4.1
176.90408	3.3
179.10788	7.1
190.75162	3.3
202.50809	3.3
205.15994	18.1
223.16998	13.1
237.14873	4.0
249.14966	6.0
267.16019	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	267.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67502	1.4
53.00943	1.4
54.69868	1.9
54.85820	1.6
55.01884	1.5
57.03457	24.7
59.01387	51.6
69.03475	10.1
69.75120	1.9
71.01377	2.9
71.05020	4.3
73.02944	3.0
80.02666	2.5
81.03469	8.8
81.07138	1.8
83.05038	10.4
85.02978	2.3
85.06589	3.8
87.04531	1.9
92.10688	3.3
92.65509	2.1
95.05015	12.6
97.06609	8.6
99.04535	3.5
107.05062	3.4
109.06590	10.4
111.08141	13.1
113.06045	2.2
121.06580	8.9
123.08160	25.2
125.06094	11.5
125.09730	8.7
127.07657	9.3
135.08202	3.8
137.09776	3.7
139.07678	3.1
151.11215	7.8
161.09726	2.2
161.13341	2.8
163.11284	9.9
163.41821	1.8
165.09190	2.5
165.12773	3.0
167.10794	9.7
167.14372	4.0
174.42128	2.0
177.12836	4.2
179.14438	40.8
186.37601	1.9
205.12358	11.8
205.15887	2.5
207.13977	3.1
223.13443	52.8
223.16888	14.7
229.92667	1.9
237.14905	2.6
249.14896	2.9
255.99855	2.1
267.12411	44.6
267.16037	100.0
280.03226	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	267.1239
Annotation	Teucrein
Peak:m/z	Relative Intensity
50.68103	1.0
57.03453	23.6
59.01389	16.7
61.53777	0.9
63.61897	0.8
66.86765	0.9
69.03441	1.2
81.03477	4.6
83.05045	6.5
84.02196	1.7
92.10143	1.2
95.05040	4.1
100.83121	1.0
108.02180	4.5
109.02967	1.1
109.06633	1.7
110.03745	78.6
111.04534	5.5
122.03732	15.0
123.04578	4.1
123.08170	6.3
124.98164	0.9
125.06097	3.8
127.07656	1.9
135.08194	3.9
135.76950	1.2
137.06076	1.3
147.04555	9.1
150.06879	8.0
151.11221	1.3
153.09230	100.0
163.11336	2.1
165.09218	49.0
179.10773	6.8
179.14427	1.3
180.07906	1.7
187.11247	2.1
189.09218	13.5
189.10619	1.1
205.12332	7.7
207.10275	6.0
208.11093	10.6
223.13390	1.5
249.11325	1.6
267.12439	51.5
267.16061	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	267.1239
Annotation	Teucrein
Peak:m/z	Relative Intensity
51.69681	1.0
56.66856	0.9
57.03456	17.5
59.01387	11.3
59.57908	0.8
60.21351	0.9
62.18805	1.1
62.97204	1.0
67.41640	1.0
70.96633	1.1
81.03471	1.7
82.57093	1.3
83.05057	4.6
84.02183	1.2
101.84290	1.0
108.02205	4.3
109.02918	1.8
109.06581	1.2
110.03749	73.3
111.04526	2.0
113.46253	1.0
122.03767	8.8
123.08126	3.6
125.06103	2.0
135.08157	2.1
147.04549	5.8
150.06900	6.4
151.07718	1.4
153.09227	100.0
165.07919	2.1
165.09227	37.3
179.10826	2.3
189.61424	1.1
205.12431	4.4
208.11224	2.0
223.13414	1.3
237.15117	1.2
252.25423	1.2
267.12424	29.0
267.16034	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	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01390	0.7
62.55436	0.3
70.37975	0.4
78.20219	0.4
81.14335	0.4
83.05052	0.3
92.10075	0.7
92.59865	0.4
95.05019	2.0
99.04565	0.6
105.03459	0.6
107.05031	6.7
107.19254	0.4
108.02161	3.2
110.54810	0.4
121.02949	2.5
121.06571	3.2
122.03731	62.0
123.04514	100.0
124.04872	0.4
125.09708	11.7
131.43994	0.4
148.05261	0.4
149.06085	10.2
154.74448	0.4
161.09758	0.6
165.05501	0.4
169.12335	0.4
191.01166	0.4
195.55173	0.4
205.16017	0.9
265.14502	1.4
265.18069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
71.01410	3.1
71.41844	2.7
76.94460	3.0
78.95904	3.5
87.92695	2.7
164.87379	2.9
207.05377	4.6
267.08804	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	267.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.7
59.01386	27.5
65.78774	1.3
69.03445	1.8
70.87048	1.2
71.01398	1.5
71.05035	11.5
72.99306	36.2
81.03465	1.8
83.05023	9.4
85.06602	14.4
95.05081	5.3
97.06608	11.0
99.04527	6.2
101.06016	1.5
109.06583	2.0
111.04513	3.6
111.08154	2.9
113.06133	1.4
123.08109	1.9
129.05589	3.7
135.08168	3.3
139.07625	1.8
141.09215	1.8
149.09702	6.3
150.72762	1.4
151.11292	3.6
151.39688	1.9
153.12875	3.2
161.09674	2.0
161.13292	1.6
165.12846	3.0
167.10733	2.3
169.38954	1.4
177.12845	6.4
179.10889	1.5
179.14392	22.0
187.15001	6.5
194.34032	1.6
197.11803	2.0
205.12357	9.5
205.15993	6.1
207.13902	6.8
211.96242	1.4
223.13527	12.8
223.17000	6.2
223.51469	1.5
244.39981	1.6
249.11363	1.7
249.14879	8.3
267.12393	50.6
267.16010	100.0
277.51123	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	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82671	0.7
57.03460	1.0
59.01385	1.9
62.76210	0.7
71.00866	1.0
74.25439	0.8
83.05038	1.9
85.02998	1.6
93.07073	0.9
95.48915	0.8
116.39800	0.8
133.06622	1.2
135.08176	1.8
150.02972	0.9
151.11324	2.0
165.52020	0.8
167.10777	12.3
182.74541	0.9
185.66602	0.9
203.14421	2.0
221.15500	100.0
222.15692	1.3
245.75964	0.9
247.13600	1.2
265.14505	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	265.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61228	0.5
58.98032	0.5
59.01387	1.3
59.50115	0.5
64.35104	0.8
74.43018	0.6
84.33743	0.7
85.03001	1.0
85.06612	1.2
92.10126	0.7
95.05073	3.3
98.14726	0.6
105.03503	0.8
107.05064	5.2
108.02186	1.2
121.02991	2.4
121.06598	1.6
122.03748	63.3
123.04530	100.0
123.08200	1.3
125.09745	10.6
141.44627	0.7
149.06108	10.3
171.81308	0.8
235.43533	0.7
242.18608	0.6
246.40862	0.8
265.14423	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	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
81.03471	9.8
83.01389	1.3
83.05041	3.8
91.62474	1.0
93.03442	1.6
95.05055	0.9
97.02945	1.0
107.05051	1.8
108.02178	92.6
109.02968	9.7
110.03749	5.8
111.04529	26.8
122.03705	1.3
123.08210	1.5
137.06078	11.2
152.01163	12.5
153.01981	6.4
165.12892	0.9
183.13940	11.5
191.14415	2.0
193.16052	1.1
203.14508	1.4
221.15483	28.7
265.14481	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	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.6
59.01388	0.6
69.03466	1.2
71.01375	0.7
71.05013	0.5
80.02682	1.4
83.05061	0.7
85.02938	0.7
85.06601	1.0
85.88206	0.5
87.04503	0.7
93.03442	0.9
95.05019	18.0
105.03470	3.3
107.05042	8.2
108.02187	2.4
121.02962	1.1
121.06613	0.8
121.76560	0.6
122.03736	55.2
123.04521	100.0
125.09727	7.1
135.08157	0.9
143.08649	2.3
144.05762	2.2
145.06586	0.9
148.23978	0.7
151.11279	0.7
153.75545	0.6
159.08142	3.9
177.09207	10.8
186.06908	1.0
187.07658	25.0
187.11263	3.1
192.78908	0.7
201.12921	2.0
204.07964	1.0
205.08673	4.0
219.13728	0.7
221.15477	6.2
229.12369	1.0
265.14447	11.8
285.37616	0.7
286.12732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19017	1.0
54.82575	1.4
57.03445	1.9
57.03767	1.1
59.01388	1.9
63.22207	1.2
66.23112	1.2
70.21978	1.1
70.91757	1.1
71.76601	1.1
77.44907	1.4
80.02685	2.0
82.99521	1.3
83.05068	1.8
95.05029	16.5
107.05025	9.2
108.02184	18.1
110.03710	3.1
121.02911	1.7
122.02884	2.2
122.03738	51.7
123.04524	100.0
124.94217	1.5
125.09711	13.7
128.58896	1.5
144.77872	1.4
153.09254	10.0
175.07643	1.7
175.18312	1.4
177.09241	10.8
187.07661	24.7
205.08672	3.0
205.12346	1.7
205.15981	1.6
209.09773	1.3
210.93027	1.3
215.59532	1.7
216.34599	1.4
221.15477	8.8
225.54121	1.5
265.14490	14.5
265.17374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00401	1.7
58.00605	2.1
59.01386	100.0
71.01382	41.2
72.99303	8.6
73.02941	3.8
78.95922	11.4
83.01389	2.0
85.02948	33.1
87.00884	2.7
89.02438	56.9
96.96006	18.0
101.02449	15.7
113.02396	16.6
119.03477	16.1
134.04794	2.5
142.23347	2.0
177.07410	2.4
179.01500	2.6
196.39264	2.1
200.23386	2.1
205.16014	16.2
265.09155	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	265.1448
Annotation	Rugosal A
Peak:m/z	Relative Intensity
54.92072	1.1
57.03469	6.3
59.01392	13.8
69.03475	2.7
76.78879	1.2
79.33720	1.2
79.38499	1.3
83.05038	17.2
95.05037	6.6
96.52587	1.3
97.06577	8.0
99.04567	1.6
107.04993	2.9
109.06632	5.9
111.08143	2.2
113.06074	2.5
123.08128	1.6
133.06549	1.7
133.66653	1.4
135.08180	2.5
147.11830	2.0
149.09708	2.1
150.40160	1.4
151.07658	6.6
165.12840	6.3
203.14470	2.9
203.82626	1.7
265.14481	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	265.1447
Annotation	[2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
57.03453	32.8
59.01395	24.0
65.38541	4.2
67.10036	3.8
69.03471	6.1
80.02646	5.0
83.05046	24.1
83.37160	4.0
95.05036	8.3
95.86983	4.2
96.02160	4.9
97.02953	39.0
98.03745	11.3
109.06603	28.1
116.15700	4.4
122.03754	5.2
127.07658	19.3
137.06068	6.3
165.12828	20.0
177.12903	4.6
189.09193	8.4
203.14417	32.9
221.11914	8.1
221.15517	24.9
247.13480	32.3
265.14508	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	263.1655
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
52.36074	1.7
53.07061	1.7
53.81673	1.6
59.01381	18.1
69.03456	2.2
74.54452	2.1
74.80607	2.0
146.76791	2.4
156.72342	2.2
156.94704	2.2
187.14972	54.1
190.28987	2.0
205.05118	2.6
219.13864	3.9
222.52011	2.5
263.12939	13.9
263.16537	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78321	1.0
55.01899	2.0
57.03460	3.3
58.00601	3.0
58.93014	1.3
59.01387	100.0
71.01389	42.8
72.99309	10.9
73.02960	6.8
75.00887	8.2
83.01408	5.6
85.02958	13.9
87.00863	1.8
87.04520	1.5
89.02448	44.7
89.72226	1.3
89.92121	1.4
95.01414	2.0
96.95995	2.0
99.00892	11.4
101.02438	18.8
102.66130	1.4
103.04022	8.9
111.00896	2.4
112.98814	34.0
113.02460	12.0
115.00386	2.3
115.04013	2.5
119.03468	18.1
129.01936	2.4
131.37291	1.7
133.05069	9.9
145.01428	3.2
150.06105	1.6
166.36372	1.3
173.00911	16.0
205.03487	3.3
265.09329	35.9
282.92224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
54.83194	1.6
57.73961	1.2
59.01395	6.3
65.00332	1.3
67.90818	1.1
74.01177	1.3
92.21267	1.2
98.41354	1.4
121.02968	1.6
158.03712	2.0
159.08159	81.0
163.04028	15.5
163.55629	1.5
177.12920	1.3
187.07663	2.0
201.12808	1.6
203.07166	100.0
205.08667	6.2
219.13800	2.0
235.13420	1.8
263.12946	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	Lupulone F
Peak:m/z	Relative Intensity
50.58213	0.5
52.78621	0.5
59.01403	1.2
89.39127	0.7
92.10207	1.0
121.06610	1.3
145.03000	1.2
149.09746	1.5
158.03769	2.9
159.08163	85.8
160.53423	0.9
162.42209	0.7
173.06180	0.9
175.07597	0.8
180.09659	0.6
203.07173	100.0
212.70503	0.7
219.06566	0.9
219.13887	0.7
263.12909	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.5
59.41106	4.0
95.05091	4.5
107.05012	5.0
108.05840	4.9
109.02994	5.1
109.06636	4.8
111.04543	6.3
112.55915	4.2
114.48829	3.7
118.14492	4.7
122.03741	18.7
125.06080	27.8
136.05315	18.5
137.06125	5.9
138.06863	21.5
139.07640	26.5
148.05255	5.0
151.07664	67.7
152.04810	5.8
152.08412	40.5
153.09183	9.8
161.09735	6.3
163.07574	10.5
189.09242	7.7
201.12871	27.8
203.10822	27.5
203.12691	5.6
204.11592	78.5
211.18968	4.7
218.98479	5.0
219.13922	100.0
263.12964	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	263.1291
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.18116	1.7
56.85268	1.6
57.03458	2.4
59.01386	100.0
66.71261	1.7
66.98422	2.0
71.01367	2.2
77.88467	1.9
83.05018	2.7
94.35869	1.9
97.02956	12.2
105.07111	5.0
107.05035	3.0
108.05813	9.1
109.02972	7.9
109.06596	4.4
111.04539	11.5
113.06079	8.7
119.08701	11.0
121.06601	3.8
122.03748	22.4
122.64220	2.4
123.08164	10.5
124.84550	2.0
125.06079	35.8
135.08160	3.9
136.05287	30.3
137.06108	10.2
138.06888	31.7
139.07672	44.4
145.06598	2.1
148.05292	14.4
149.06096	4.5
151.07657	83.8
152.04825	3.9
152.08447	52.4
153.09206	14.5
159.11812	7.7
161.09737	4.4
163.07666	18.5
167.07115	4.9
171.08121	2.1
183.42719	2.3
185.09790	3.8
186.10533	2.3
188.08463	3.7
189.09210	14.4
201.12885	37.0
203.10837	52.0
204.11574	94.1
219.11882	4.5
219.13940	99.3
220.97603	2.2
263.13007	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	263.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63632	0.3
55.82521	0.3
59.01386	100.0
86.67467	0.3
95.65491	0.4
114.96212	0.3
131.41399	0.4
145.15736	0.4
203.12833	0.6
274.02374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73223	0.2
50.91570	0.2
59.01383	100.0
66.95370	0.2
73.02950	0.3
73.72644	0.3
83.05036	0.3
85.20295	0.2
86.71496	0.3
96.23340	0.3
103.93358	0.3
133.86363	0.2
146.89891	0.3
160.05237	0.3
173.09648	0.3
189.12819	0.3
201.12874	1.6
203.10834	0.4
219.13882	0.7
229.69185	0.3
245.11638	0.3
248.65732	0.3
263.12924	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73223	0.2
50.91570	0.2
59.01383	100.0
66.95370	0.2
73.02950	0.3
73.72644	0.3
83.05036	0.3
85.20295	0.2
86.71496	0.3
96.23340	0.3
103.93358	0.3
133.86363	0.2
146.89891	0.3
160.05237	0.3
173.09648	0.3
189.12819	0.3
201.12874	1.6
203.10834	0.4
219.13882	0.7
229.69185	0.3
245.11638	0.3
248.65732	0.3
263.12924	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	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00224	0.6
55.01878	0.9
57.36489	0.8
58.80309	0.6
59.01390	40.1
60.50213	0.9
63.77647	0.9
69.03456	1.2
71.01392	17.6
72.99321	1.4
76.06047	0.8
77.23869	0.8
78.32580	0.7
83.01421	0.8
85.02974	3.5
85.06603	25.7
89.02444	16.0
89.51022	0.7
96.99232	0.7
99.08194	0.8
101.06093	15.3
113.06078	5.1
115.07640	1.0
131.07144	100.0
154.52107	0.8
175.39862	0.8
182.31528	0.8
203.12874	1.5
263.11383	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46439	0.4
59.01391	100.0
69.78345	0.4
70.39935	0.4
85.02981	0.8
89.01451	0.4
123.68305	0.5
201.11421	0.5
212.14171	0.4
257.67511	0.5
261.13431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51132	0.5
53.28109	0.4
53.95629	0.4
57.03460	1.9
59.01385	100.0
63.04985	0.4
63.53497	0.4
71.01387	2.1
73.02957	0.9
92.66562	0.5
99.04536	0.7
104.68572	0.5
108.02203	0.8
109.06589	0.9
111.08169	2.2
115.07675	0.7
123.08164	0.7
125.09759	3.9
129.09259	0.8
135.08174	3.0
141.09213	1.1
143.10812	6.2
151.07651	2.4
153.09190	1.9
154.08870	0.5
155.10834	1.0
157.12361	0.8
165.09248	0.7
175.96417	0.5
183.10233	0.5
201.11351	18.6
219.12401	39.1
252.01791	0.6
261.13568	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	0.4
71.01369	0.6
73.02954	0.7
84.22576	0.6
117.87482	0.5
123.08117	0.5
135.08133	4.3
140.69746	0.6
153.09213	2.1
172.56558	0.6
201.11313	8.3
219.12531	0.8
261.13477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.5
58.66545	1.0
59.01391	77.8
71.05037	6.0
73.02953	1.0
83.05038	2.5
84.11210	1.0
87.04529	13.2
97.06603	2.3
101.06099	4.3
103.03834	1.0
115.07671	2.5
123.08191	1.2
125.09727	7.3
128.70761	1.1
140.02399	1.2
153.09233	1.4
155.10852	2.0
155.16820	1.3
173.11855	16.5
201.11357	27.8
219.12425	100.0
245.86777	1.1
261.13568	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	261.111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59806	0.3
59.01384	8.4
65.31242	0.3
66.70046	0.3
68.26099	0.3
141.18300	0.3
145.47321	0.3
147.75551	0.3
179.10782	100.0
261.11115	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	261.1134
Annotation	Complicatic acid
Peak:m/z	Relative Intensity
51.55968	2.3
56.91322	2.0
57.14455	2.0
57.21778	1.9
59.01391	5.9
67.80968	2.3
100.97906	2.3
114.39391	2.5
119.05068	3.7
121.02965	12.9
161.52629	2.5
171.08151	3.4
171.11786	3.2
173.09731	23.5
174.06841	13.2
175.11349	14.3
189.12897	19.6
199.11348	19.1
202.10020	89.6
217.12369	100.0
243.05493	3.2
243.87088	2.6
253.98795	2.8
261.11331	52.6
275.96912	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29758	1.7
59.01384	12.0
61.94136	1.6
73.58725	1.7
85.06590	3.6
87.04526	10.0
92.64998	1.7
109.06610	19.3
111.08164	100.0
113.09721	3.9
138.06824	2.9
139.07635	35.6
155.07114	11.8
155.14432	13.4
157.08711	43.5
181.12349	83.5
183.06633	9.3
193.68480	1.9
199.11591	2.7
199.13394	56.7
201.07706	87.1
225.11348	18.3
243.12462	14.7
261.13489	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1188
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
59.01394	100.0
71.05044	0.9
73.02956	17.3
75.17551	0.7
75.20401	0.7
83.05045	0.9
85.02956	2.9
85.87158	0.7
95.05030	0.8
95.56026	0.8
97.06622	1.4
107.05050	1.3
115.04035	0.9
123.08125	3.0
125.06065	6.6
135.08208	1.3
138.40030	0.9
141.05534	0.8
167.07141	1.5
169.12262	1.0
181.08807	1.0
185.08199	24.5
197.11848	3.8
199.09827	3.7
215.12932	1.1
259.11920	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25840	0.9
58.00611	2.1
58.07286	0.9
59.01385	100.0
69.03490	0.9
73.02959	4.9
75.98904	1.0
85.02973	1.0
87.00855	1.3
90.84343	0.9
123.08152	3.9
135.08157	1.6
137.09729	1.0
153.09264	7.2
155.10760	4.6
181.08727	2.1
199.09779	73.2
259.11890	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92301	1.1
54.12584	0.9
57.03460	7.9
59.01387	18.9
60.99316	0.9
69.03460	5.6
69.87597	1.2
71.05023	2.0
72.99307	32.2
75.00869	100.0
78.95898	1.7
81.03443	1.2
83.05029	6.8
85.02946	10.3
87.00877	6.2
87.04510	1.7
92.15996	1.0
95.04995	1.3
96.96933	1.3
97.06553	1.5
99.04517	9.7
107.05034	2.1
109.02970	1.1
109.06596	13.6
114.49043	1.0
119.29899	1.1
123.04535	4.8
125.02473	1.5
125.06095	1.3
127.07642	6.5
130.08714	2.6
131.03522	8.7
136.79637	1.3
141.05551	1.9
145.06601	1.2
153.09235	9.7
171.10297	1.7
241.10851	2.1
259.11880	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58956	1.3
57.03455	8.4
59.01390	42.1
63.88536	1.4
69.03468	3.8
71.05028	2.3
72.99317	32.7
73.02962	2.4
75.00880	100.0
81.03465	2.1
83.05050	8.4
85.02956	12.5
87.00913	1.7
91.22560	1.5
97.06612	2.9
99.04534	13.8
107.05061	2.0
109.06623	15.8
123.04504	2.8
125.06094	2.4
127.07634	3.9
131.03473	8.7
146.36053	1.4
153.09215	9.1
154.71043	1.7
156.19853	1.8
171.10315	2.1
171.63165	1.9
172.13860	1.6
226.29099	1.5
241.10733	2.5
259.11862	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49702	0.5
59.01388	1.0
77.41473	0.5
90.49623	0.6
92.10889	1.4
99.92594	8.7
114.93463	0.7
116.92864	100.0
149.79024	0.7
154.49052	0.7
156.90892	3.9
176.98109	2.5
198.91922	2.9
258.77673	0.7
272.46384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
59.19973	0.5
59.41362	0.5
71.01410	0.5
72.53745	0.5
74.02493	0.7
78.95908	100.0
85.70019	0.5
87.05661	0.8
92.65494	0.6
96.96049	9.6
96.96961	93.5
113.33472	0.8
138.97073	0.6
138.98042	3.0
143.65944	0.5
168.99110	2.3
193.09071	0.5
198.90535	4.1
199.00130	2.4
213.05142	0.8
214.93732	2.8
240.91568	3.3
258.92627	4.5
259.02225	14.1
276.63327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19973	0.5
59.41362	0.5
71.01410	0.5
72.53745	0.5
74.02493	0.7
78.95908	100.0
85.70019	0.5
87.05661	0.8
92.65494	0.6
96.96049	9.6
96.96961	93.5
113.33472	0.8
138.97073	0.6
138.98042	3.0
143.65944	0.5
168.99110	2.3
193.09071	0.5
198.90535	4.1
199.00130	2.4
213.05142	0.8
214.93732	2.8
240.91568	3.3
258.92627	4.5
259.02225	14.1
276.63327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25218	0.9
54.82498	1.0
57.03461	1.0
58.00611	0.9
59.01386	12.9
67.14484	0.9
69.75086	1.0
71.01376	1.0
71.60127	1.1
73.02942	1.1
73.56924	1.0
85.06611	4.8
97.06590	5.9
99.00886	19.3
101.06071	2.0
111.04530	23.5
117.01989	1.1
123.47688	1.0
137.09732	4.7
139.11298	17.5
153.09195	1.3
165.12955	1.2
177.12898	1.4
195.13927	29.5
213.15034	7.4
219.30328	1.1
239.12903	9.3
257.13995	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	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11305	1.2
58.30671	1.3
59.01391	100.0
76.60104	1.4
82.81510	1.4
83.05012	2.1
86.32371	1.5
95.05011	2.1
97.82320	1.5
109.06581	2.4
117.43406	1.3
151.11314	2.6
162.14793	1.4
179.79517	1.5
257.10315	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82971	0.8
58.62429	0.6
59.01392	42.2
59.01693	1.4
60.48152	0.7
64.66628	0.8
69.03471	0.9
77.89703	0.7
81.03457	1.8
82.62468	0.8
94.61475	0.8
99.04521	2.0
100.25312	0.8
104.09817	0.7
107.16319	0.9
123.08152	3.7
125.09731	19.7
135.08202	3.1
139.49715	1.0
139.58133	0.8
153.09233	15.7
156.04607	0.9
157.05138	1.1
169.08716	5.5
171.10297	7.4
197.08226	15.8
213.11314	1.0
215.09271	100.0
257.10367	5.5
257.13965	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	257.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10023	4.6
53.44292	4.1
55.01900	6.5
57.03452	7.3
59.01388	81.1
62.01911	4.1
69.00514	4.9
69.03465	42.0
71.01389	33.4
71.05017	5.4
72.99316	21.5
73.02956	24.1
79.05548	6.2
83.05033	10.1
84.02167	22.3
85.02968	26.4
85.06619	9.3
87.00876	55.8
95.05037	33.4
97.02930	46.2
97.06587	10.5
97.16142	5.3
99.04536	12.5
107.05024	78.1
109.06609	20.4
111.08180	7.1
113.06096	84.4
120.52879	4.9
121.06599	9.4
125.06052	24.0
137.06102	5.2
139.07669	21.0
151.07658	7.3
165.09195	20.4
169.08728	8.1
173.07834	5.2
195.10217	23.2
209.08160	6.1
227.09274	26.6
239.09111	5.7
257.10336	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45932	0.9
56.03815	0.8
57.03442	0.9
59.01382	39.9
69.03437	0.8
71.05037	1.6
81.03468	2.4
83.56187	0.9
85.02946	1.0
92.66338	1.0
95.05046	1.1
99.04514	3.7
107.80904	0.9
111.04593	0.9
114.33482	1.1
115.03994	0.9
123.08138	1.7
125.09725	16.6
133.71806	0.9
135.08163	4.1
153.09233	15.7
169.08667	4.3
171.10271	5.8
197.08197	17.6
215.09273	100.0
257.10294	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	257.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15368	8.3
54.01138	7.3
54.82265	8.9
55.85761	7.6
56.47196	7.1
59.01388	18.5
64.68513	9.1
78.93051	8.8
78.95917	55.2
83.05043	10.3
92.10767	16.8
96.96007	65.4
96.96956	100.0
105.61834	9.6
107.52584	10.2
125.99027	10.2
131.31532	9.1
131.32520	9.1
132.28668	9.5
139.93004	9.8
146.81992	10.0
154.91345	16.5
178.17520	10.1
250.60869	9.7
269.32782	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	257.1033
Annotation	Gardenate A
Peak:m/z	Relative Intensity
51.11810	2.9
52.98569	2.9
55.01912	3.9
57.03481	6.4
59.01388	73.8
69.03468	17.8
69.66016	3.6
71.01392	33.9
72.99322	21.6
73.02953	27.9
76.29616	3.5
81.03500	6.8
83.01425	4.7
83.05038	7.2
85.02984	20.0
85.06613	15.8
87.00901	23.4
87.04552	5.2
93.03503	3.7
95.05049	15.5
97.02956	15.1
97.06598	9.5
107.05007	26.9
108.91114	3.9
109.06595	15.0
111.04556	4.2
113.06099	88.9
115.04047	5.9
120.32340	5.2
125.06097	7.7
125.09767	5.0
159.35152	3.6
161.74525	3.6
165.09206	5.3
169.08763	5.8
209.08188	8.0
215.09344	7.1
227.09280	38.7
229.75493	3.9
239.09129	4.3
257.10358	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67178	0.6
57.03452	58.8
59.01386	3.7
71.05022	13.9
73.99706	0.6
83.05025	10.0
85.06581	0.7
97.06590	11.8
101.06059	9.7
109.06602	1.3
123.08167	2.8
125.09711	12.0
139.11273	0.9
141.12857	7.5
151.11316	1.5
185.11832	53.7
193.12253	1.2
194.92842	0.7
197.11874	1.7
211.13426	15.3
237.14896	1.7
255.12428	6.8
255.16040	100.0
255.23232	1.5
256.16321	0.9
275.21600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65232	0.8
57.03454	72.8
59.01393	8.4
61.01833	1.3
64.00764	0.7
69.03477	1.1
69.37395	0.8
79.69149	0.8
85.06618	4.3
87.04518	6.8
89.80450	0.9
95.05057	2.1
97.06592	39.4
109.06572	1.1
111.08202	1.8
128.79291	1.0
135.48959	1.1
139.11316	4.2
141.12885	21.9
153.12880	1.3
167.10782	28.6
167.14401	1.4
179.10817	8.6
185.11852	31.8
193.16026	1.9
197.11850	8.2
211.17079	4.2
237.14972	16.5
255.16068	100.0
255.23347	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01386	20.0
59.01654	1.4
68.75055	0.9
71.01383	6.8
75.25540	0.9
80.02703	3.9
85.02955	2.0
95.21201	0.8
97.87543	1.0
111.08157	4.7
137.09724	1.8
139.11324	1.1
151.11278	1.7
153.12874	26.8
165.12845	5.4
175.14926	39.4
179.14461	4.4
181.12456	1.6
181.15993	20.0
183.13905	11.1
191.14449	2.0
193.15990	21.3
194.92810	1.3
195.13896	1.0
209.15549	7.4
211.17120	9.1
212.17296	1.0
237.15010	9.3
255.06831	1.1
255.16052	100.0
255.23273	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52812	1.1
57.03449	10.1
59.01387	50.0
60.01756	1.6
61.01822	2.7
65.50126	1.2
69.03470	1.9
71.01380	19.6
72.99333	1.3
73.02936	1.5
75.00874	1.2
78.95914	1.4
85.02973	1.3
93.03539	1.4
95.05025	2.6
97.06609	8.2
99.04556	1.5
109.06641	2.4
152.91797	6.4
153.12868	11.3
155.14449	10.7
167.09065	1.4
167.10802	1.8
167.90666	1.4
175.14952	7.7
179.10777	3.2
181.16087	1.5
183.13925	33.5
185.79610	1.3
190.75908	1.3
193.15994	13.8
194.92879	2.8
209.15506	6.0
211.17036	3.3
215.34232	1.5
218.84842	1.4
219.84798	1.5
237.14983	9.4
237.17638	1.3
255.16072	100.0
255.18730	6.7
255.23349	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78941	0.6
56.50908	0.6
57.03467	2.6
59.01393	5.1
67.65224	0.6
69.03469	3.6
71.05006	4.8
73.02944	0.7
76.67665	0.6
80.02670	1.4
84.74472	0.6
92.10234	1.2
92.17902	0.6
94.04256	1.1
95.05046	1.2
97.02963	5.4
97.06597	1.5
98.03732	24.0
98.04330	1.3
107.58772	0.8
109.06600	3.0
115.04000	9.1
116.13101	0.6
123.08193	0.8
125.09735	4.5
127.07648	1.5
128.72711	0.6
131.42236	0.6
135.71837	0.6
137.09726	10.0
139.11288	33.1
146.25783	0.7
152.91743	1.5
153.09256	0.7
193.15991	5.4
194.92760	0.9
211.17140	1.5
237.14998	10.2
255.16045	100.0
255.23222	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44033	0.6
54.83652	0.7
59.01388	15.2
60.01738	0.8
61.01822	3.2
63.24062	0.7
65.37469	0.6
72.65870	0.6
78.57600	0.7
81.70686	0.8
87.89589	0.7
111.08154	1.5
152.91788	2.9
173.04498	0.8
179.10675	0.7
179.14410	6.1
181.12378	6.1
185.15361	0.9
193.12346	32.5
194.12703	3.5
194.92819	3.3
195.07556	0.8
195.12888	14.7
201.14259	0.7
219.84557	6.6
223.13432	3.2
255.16060	100.0
255.23309	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	255.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
57.03455	18.4
59.01387	100.0
60.01740	1.2
61.01822	2.1
64.81504	1.1
69.03451	1.6
71.01377	2.2
71.05025	2.5
72.99346	1.5
73.02953	2.5
73.83795	1.1
80.75252	1.2
83.05045	1.6
84.02233	1.3
85.02994	1.8
85.06558	1.9
87.00904	3.0
87.04539	1.3
88.59777	1.3
91.56031	1.3
92.10114	2.7
97.06635	1.3
111.08205	1.3
137.09711	2.4
152.91760	2.3
153.09209	1.4
155.10802	51.8
161.09717	6.4
163.07658	2.7
179.10794	5.3
193.12292	2.7
193.16020	12.3
194.92746	1.5
197.11830	1.7
207.13931	2.1
209.11882	1.9
225.15004	54.0
237.14871	2.1
254.27397	1.8
255.12422	19.1
255.16043	64.5
255.23335	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76670	1.1
58.00610	10.3
59.01403	11.5
61.92403	1.4
61.98840	18.1
68.06992	1.4
70.38097	1.3
71.01382	1.4
71.50972	1.2
72.99313	76.1
75.00879	10.6
78.93243	1.8
84.18407	1.5
84.52816	1.4
87.00890	1.8
93.03448	21.1
95.08623	1.3
99.00888	3.4
106.04260	2.3
107.05029	23.6
112.34541	1.4
119.05031	9.1
121.02924	2.7
123.04520	2.4
131.05008	2.9
133.02985	13.3
135.04535	6.1
141.08313	1.7
147.04543	11.6
149.06097	16.7
163.04002	1.7
165.05580	100.0
179.03516	36.4
182.33804	1.4
193.05109	21.0
211.06128	1.7
255.05128	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0663
Annotation	Pinocembrin
Peak:m/z	Relative Intensity
52.80955	0.5
59.01391	5.4
63.02409	9.2
64.39712	0.6
65.00331	10.2
67.52571	0.5
68.99830	0.9
71.01402	1.0
71.77597	0.5
75.33257	0.5
77.39384	0.7
83.01397	10.2
107.01389	14.5
107.13406	0.6
108.02172	2.9
123.00910	1.0
125.02493	0.9
133.02892	0.6
136.01596	1.0
139.11403	0.6
141.07053	1.2
145.06601	9.7
151.00368	16.0
152.91704	0.9
153.12859	1.0
164.01213	1.0
169.06552	5.3
171.04529	11.6
172.05257	1.3
181.85410	0.6
183.08156	0.6
183.13884	3.1
185.06059	3.5
187.07680	4.4
193.15927	2.9
194.92801	0.6
211.07707	4.1
213.05594	13.6
227.07108	1.0
237.14925	1.2
255.06638	100.0
255.15942	8.8
255.23337	4.2
256.07034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	41.8
59.01384	45.1
59.36644	2.4
69.03457	65.5
71.05023	100.0
81.07104	14.8
83.05035	40.2
85.06602	19.1
94.16693	2.5
97.06569	29.2
98.03736	6.4
99.08151	61.0
109.06598	5.8
125.09716	4.5
127.07623	3.6
141.09209	14.2
151.11330	22.0
165.12804	12.3
169.12344	79.9
179.10687	3.9
193.07109	3.7
199.14334	2.7
235.16994	5.3
253.18031	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83142	1.4
58.00600	10.5
58.42192	1.5
59.01388	8.3
72.99310	70.2
75.00887	2.5
78.95911	1.5
87.00893	2.1
93.03461	17.9
96.96025	2.5
99.00874	2.3
106.04304	1.6
107.05035	21.1
108.02149	1.5
108.05285	1.5
110.59497	1.4
119.05032	2.9
121.02982	3.0
123.04493	11.2
133.02972	14.1
135.04533	3.7
135.74089	1.3
138.50482	1.8
147.04564	6.2
149.06111	12.0
152.91765	12.8
163.03960	1.8
165.05582	100.0
179.03508	28.7
193.05077	25.4
194.92799	14.9
209.04529	1.7
209.47829	1.8
221.35945	1.4
255.05118	81.8
255.23203	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	253.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47154	3.2
56.62538	3.8
57.03446	78.8
59.01386	22.1
69.03451	40.3
71.05005	36.5
71.29453	3.7
83.05014	31.4
85.06597	18.9
85.33580	4.2
87.55431	4.1
92.10817	9.1
97.06564	5.4
98.14337	4.0
109.06583	28.9
118.79893	4.9
125.05988	3.8
126.65437	4.3
127.07621	100.0
143.58974	4.1
163.13452	4.7
165.12849	37.6
178.06555	4.5
183.13847	8.5
185.59204	4.1
192.33769	4.1
206.23488	4.3
237.90759	3.9
253.14449	4.9
253.18034	17.4
256.84555	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	253.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	50.1
59.01385	82.5
63.83700	3.1
69.03467	77.3
71.05028	100.0
81.07108	23.8
83.05038	58.9
85.06621	22.6
97.06586	33.7
98.03735	5.1
99.08160	60.2
114.40086	4.6
127.07680	4.7
133.10132	4.0
141.09311	7.6
151.11316	20.5
165.12804	15.7
169.12349	90.7
193.07144	15.9
196.46571	5.2
241.29303	4.6
253.14322	5.7
253.18181	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	253.1811
Annotation	Hebelodendrol
Peak:m/z	Relative Intensity
54.83329	1.0
57.03458	4.7
59.01383	100.0
69.03452	2.7
70.05905	0.9
71.01378	1.1
71.05029	6.4
73.02954	1.5
81.91405	1.1
85.02976	1.7
85.06601	1.8
87.04537	1.8
90.63221	1.2
90.72791	1.1
92.10793	1.3
99.04520	5.4
100.05322	7.4
101.02437	4.5
111.08158	2.1
115.07664	10.9
153.12856	1.6
159.56715	1.0
161.04536	7.0
165.12857	18.8
181.12308	1.2
183.13907	8.4
191.14470	2.0
193.07150	13.7
203.14261	2.3
205.16042	4.2
209.15498	5.7
217.16022	4.3
235.17038	2.0
253.14423	7.5
253.18126	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	34.4
59.01387	55.9
66.38115	5.2
69.03469	76.1
71.05025	100.0
74.39130	5.9
81.07107	13.5
83.04630	5.8
83.05022	50.1
85.06597	12.9
92.10249	6.4
97.06603	25.9
98.03777	6.5
99.08150	65.1
109.06624	6.0
117.14580	6.4
124.85804	6.9
125.09775	7.7
141.09129	7.6
146.01765	7.6
151.11288	21.2
151.97366	6.4
161.04546	7.8
164.88031	6.3
169.12358	91.2
182.59279	6.8
193.07001	6.7
253.18094	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	253.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97620	0.6
57.03465	3.3
59.01388	28.4
61.73000	0.7
69.03484	1.5
71.05032	3.6
81.03474	0.9
85.06622	0.8
88.32227	0.7
95.05028	1.4
97.06590	1.1
98.03725	1.0
99.08203	1.6
113.06097	1.7
123.08160	8.7
123.08964	0.8
125.06104	0.8
125.09731	0.9
134.07382	1.9
136.94531	0.8
137.09698	5.8
149.09726	27.7
151.11311	1.2
153.09213	3.6
154.10034	1.4
155.10780	1.0
163.11349	1.1
165.12849	100.0
167.10835	1.1
179.10814	3.4
191.14397	1.1
193.07248	3.9
202.46741	0.8
209.15584	1.1
232.89786	0.9
235.13472	1.1
235.17020	7.1
253.14420	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	253.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	31.4
57.70887	4.5
59.01381	47.7
62.26488	4.8
64.04172	4.6
69.03451	77.2
71.05017	100.0
74.13105	5.3
81.07108	7.3
83.05024	46.5
85.06590	11.4
87.95267	4.9
94.87469	5.4
97.06571	23.0
99.08138	87.7
102.54518	6.1
109.18926	5.3
141.09279	8.5
151.11266	34.6
165.12814	11.2
169.12358	86.2
253.18045	10.2
255.48633	5.3
259.64471	5.9
261.50916	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	253.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82771	1.3
59.01377	50.7
63.68304	1.1
72.20480	1.3
87.00882	6.2
99.91040	1.3
111.08181	1.5
120.47855	1.2
137.09737	1.5
153.12875	10.1
161.04466	1.4
191.14395	37.3
193.07158	5.1
209.15465	100.0
253.14445	69.0
253.17102	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	253.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03459	3.3
59.01385	100.0
60.19949	0.6
69.03465	1.3
69.96788	0.6
71.01395	1.1
71.05013	5.6
73.02946	0.7
74.28220	0.7
83.04995	2.3
85.02967	1.2
87.00885	3.0
97.02940	1.4
97.06594	0.7
98.06516	0.7
98.51919	0.8
99.00890	1.0
101.02444	3.6
109.06615	0.7
120.64568	0.7
120.77447	0.8
123.08192	1.1
123.61208	0.8
125.06084	4.6
125.09720	13.6
125.63857	0.7
128.40675	0.6
135.03255	0.6
141.01956	0.9
153.55910	0.7
161.04514	5.6
161.13322	0.9
163.11327	0.9
165.12869	1.6
177.12962	0.7
193.07214	13.4
195.13919	8.3
253.10994	0.9
253.14468	5.0
253.18037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99685	0.5
54.82892	0.6
56.06371	0.5
57.03461	6.4
59.01387	100.0
69.03467	2.8
71.01398	1.0
71.05029	2.8
73.02937	0.9
75.20502	0.7
75.50160	0.5
81.07104	0.8
83.01422	1.5
83.05013	5.3
85.02968	2.8
85.06613	1.1
87.00912	0.8
95.05050	1.4
97.02945	1.3
97.06612	3.2
99.00896	1.1
100.92918	0.6
101.02456	2.8
109.06618	3.4
123.08170	3.7
125.09731	0.8
137.09721	1.4
139.11238	0.7
149.09703	8.9
161.04512	4.6
165.12860	30.0
167.10803	3.5
179.10764	1.6
191.14441	7.3
193.07198	12.8
199.50801	0.6
207.13985	0.8
209.15523	38.5
235.13416	0.8
235.17032	1.6
249.66652	0.7
253.14497	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
55.01886	0.9
57.03454	21.2
57.03714	1.1
59.01386	100.0
60.96116	0.6
69.03463	10.6
70.81355	0.7
71.01411	1.4
71.05017	11.6
73.02966	1.4
76.65254	0.6
83.05044	6.5
85.02963	3.3
85.06622	4.0
87.00900	1.1
92.10185	0.7
95.05032	1.2
97.02959	1.0
97.06604	3.9
98.03761	1.7
99.00900	1.0
99.04523	1.8
101.02458	1.6
109.06591	7.4
111.04552	0.9
121.06605	1.4
123.08148	5.1
124.05260	5.2
125.02500	0.8
125.09740	12.8
127.07657	17.4
129.09216	1.1
137.09750	0.9
139.07668	0.8
141.09274	2.8
149.09746	1.1
151.11299	1.5
161.04556	4.4
163.11259	4.2
165.09242	1.1
165.12868	9.0
173.13382	1.7
181.12402	1.3
183.10338	1.1
183.13954	1.5
189.12828	1.3
191.14449	22.3
193.07175	11.4
193.12334	3.7
194.12988	0.9
209.12071	0.7
209.15533	20.6
217.16042	0.8
235.13277	1.2
235.16908	0.8
238.12090	1.1
253.14474	94.5
253.18027	2.6
253.18507	2.7
254.14728	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02289	0.8
51.22336	0.8
55.32935	1.0
57.30581	0.9
58.22046	0.9
59.01389	5.8
76.26795	1.1
77.38451	0.9
79.04928	0.9
79.41422	1.0
119.35071	1.1
122.86761	1.0
131.11423	1.0
163.06087	1.2
191.14429	2.3
209.15485	100.0
210.15810	1.4
253.14449	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80795	1.3
58.27000	1.3
59.01387	68.3
62.26161	1.4
62.46335	1.3
63.94857	1.8
65.98297	1.4
73.98341	1.4
75.31290	1.6
82.45160	1.7
92.26603	1.6
99.00896	1.6
99.58886	1.5
101.02445	2.5
133.47818	1.6
161.04576	2.3
165.12885	1.8
190.10760	2.0
191.14447	3.6
193.07220	9.3
198.49678	1.7
201.31674	1.8
209.15494	100.0
210.15738	1.9
253.14491	69.3
253.18419	3.0
263.53238	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95425	1.4
54.99411	1.3
56.22010	1.7
57.03456	4.4
59.01381	56.3
63.14236	1.9
69.03470	4.3
76.64787	1.7
85.06611	3.9
107.05014	2.3
111.08144	16.9
121.06566	3.3
127.07654	11.4
149.13365	2.9
161.04489	2.0
163.11261	2.4
168.29077	1.8
168.79497	1.7
173.13388	4.0
189.12878	3.0
191.14430	93.8
193.07144	8.4
209.15503	76.0
235.13405	10.8
243.30177	1.9
253.14465	100.0
253.17096	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	253.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.3
59.01386	90.5
69.03464	1.4
71.01403	0.9
71.05010	0.9
73.02950	0.9
74.11470	0.8
76.61005	0.9
85.02974	1.5
87.00883	1.0
89.51038	0.9
93.92569	0.8
95.42653	0.9
101.02470	3.8
121.73537	0.9
122.99059	0.8
137.94974	0.8
141.63268	0.9
149.09789	1.4
153.12825	1.0
161.04572	5.5
165.12871	1.2
175.11208	1.4
189.12952	1.3
191.14479	10.6
193.07162	12.0
205.16066	1.9
209.15498	100.0
210.15872	1.4
233.15269	0.9
253.14497	64.0
253.17964	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	253.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82771	1.3
59.01377	50.7
63.68304	1.1
72.20480	1.3
87.00882	6.2
99.91040	1.3
111.08181	1.5
120.47855	1.2
137.09737	1.5
153.12875	10.1
161.04466	1.4
191.14395	37.3
193.07158	5.1
209.15465	100.0
253.14445	69.0
253.17102	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	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.6
81.33423	1.6
85.06606	2.8
95.05022	26.3
97.06596	8.4
111.04565	1.3
123.04528	6.3
124.05292	9.2
125.06074	7.4
125.09740	2.0
141.51897	1.4
151.07693	2.8
152.08415	1.7
163.11295	35.2
165.62790	1.5
181.12357	21.3
199.43829	1.4
207.13863	2.5
207.17604	2.9
212.10568	1.5
233.15471	3.2
251.16554	100.0
258.77499	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	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58746	0.9
54.82737	1.0
84.60875	0.9
89.49216	0.9
95.05019	24.9
100.02567	0.9
119.19608	1.0
123.08181	4.5
125.09679	1.0
137.09721	1.2
142.11029	1.0
163.11272	1.5
205.16006	1.6
207.17574	100.0
233.15631	1.1
248.43410	1.1
251.16563	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98835	3.2
62.49481	0.2
71.01373	0.9
74.99108	1.3
78.95895	1.0
88.98811	0.2
92.65281	0.2
96.96009	2.4
96.96962	1.1
100.49427	0.2
105.00128	0.3
108.15629	0.2
108.98748	0.2
120.99642	0.8
147.01076	0.2
165.02327	0.2
193.07219	1.4
234.17688	0.2
253.00186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
54.82801	0.8
55.01883	0.9
55.11460	0.6
57.03457	14.8
57.82508	0.6
59.01386	100.0
59.07003	0.6
66.50482	0.8
69.03471	5.9
71.01396	5.4
71.05032	5.2
73.02944	1.0
83.05042	1.9
85.02953	1.1
85.06580	0.9
91.69639	0.9
92.26503	0.8
95.05042	4.2
97.02967	1.5
97.06591	2.1
98.03719	6.2
99.00907	0.8
99.04514	1.0
99.08158	1.6
101.02416	1.4
101.06075	0.8
107.05038	1.1
109.06635	1.6
111.08169	1.4
112.45766	1.0
113.06089	2.1
123.08166	9.8
125.06097	1.1
125.09723	1.1
134.07379	3.4
135.08147	1.0
137.09717	4.1
139.11249	3.0
149.09731	27.0
151.07629	10.6
151.11269	3.8
153.09196	1.4
154.10042	1.1
155.10716	1.1
161.04553	4.6
163.11269	1.1
165.12845	97.5
179.10710	3.7
183.13861	1.2
191.14420	11.9
193.07169	11.2
193.12279	1.1
209.15500	45.1
235.11111	0.8
235.13364	4.4
235.17108	7.4
253.10930	4.5
253.14476	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01389	0.4
59.64092	0.3
60.28831	0.2
71.01402	0.4
71.05029	0.3
83.05030	0.4
109.06641	0.4
111.08176	1.8
155.07196	0.5
163.11330	0.5
165.12848	0.6
179.14548	0.3
200.06720	0.4
207.13916	1.9
207.17506	0.5
233.15421	0.8
251.12901	4.7
251.16548	100.0
252.16830	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	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48627	0.6
57.03460	5.5
58.46703	0.5
69.03471	2.7
71.05029	0.7
79.27438	0.5
79.36208	0.5
83.05032	0.8
95.05025	3.2
95.14925	0.5
97.06602	1.4
99.08105	0.7
116.87007	0.6
125.06076	1.1
125.09686	0.6
149.28163	0.7
156.13744	0.6
163.11298	6.0
181.12320	1.4
205.15932	0.8
207.13963	0.9
207.17513	2.8
218.96944	0.8
224.83536	0.6
238.03722	0.6
251.16539	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	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
76.72967	2.0
111.08179	8.9
137.09717	16.4
151.11308	3.0
153.12859	56.7
165.12932	2.2
179.14438	3.1
189.16412	4.6
191.14442	4.3
207.14043	2.9
207.17589	46.5
251.12781	10.7
251.16519	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	251.1655
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
67.01872	2.0
68.04424	2.0
69.03477	3.6
76.16717	2.4
83.05019	36.0
84.26518	2.2
99.08151	10.5
125.09727	63.8
127.11282	10.9
137.09746	9.4
139.11360	3.1
151.11304	3.1
163.64986	2.2
165.12862	4.9
176.99796	2.3
191.14514	3.3
205.16064	5.3
207.17574	100.0
208.58290	2.4
251.16530	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	26.2
59.01397	0.7
64.52525	0.9
80.13525	0.7
92.10780	0.8
97.06584	15.3
111.90317	1.1
120.90274	0.7
125.09705	8.4
137.09752	1.8
189.16599	5.5
191.14496	7.4
207.17558	100.0
225.18846	0.9
233.15504	1.8
251.16556	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	251.1655
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
53.88953	0.6
57.03456	17.0
63.47877	0.7
85.07747	0.8
91.41531	0.9
107.35717	0.8
108.02189	1.5
117.52131	0.9
120.24331	0.8
125.09723	3.8
139.11292	1.2
162.06847	1.1
191.14447	1.2
193.12288	1.3
207.17535	5.5
221.15501	1.9
233.15477	3.8
251.12813	4.9
251.16547	100.0
261.79376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31968	0.3
55.89532	0.3
57.02498	0.2
85.45506	0.3
92.10164	0.4
97.06555	0.3
101.06085	0.5
124.05384	0.3
129.46048	0.3
140.94112	0.3
153.27252	0.3
163.11302	1.2
165.12914	0.3
187.98569	0.3
195.10312	0.4
213.49010	0.4
240.89796	0.3
246.94711	0.3
251.16551	100.0
252.16891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	81.4
62.28195	1.6
76.63274	1.7
79.02127	1.6
79.65778	1.6
81.07106	2.2
82.73721	1.8
83.05048	2.1
84.24395	1.6
85.02967	2.2
95.05055	3.8
97.06563	2.3
110.56889	1.9
111.08150	2.1
137.09709	3.8
138.03232	8.1
153.12828	4.6
157.12384	3.1
157.63103	1.9
163.11267	7.7
179.19940	1.8
181.12379	2.4
191.14162	2.2
207.13940	4.2
207.17560	67.4
233.15497	21.8
238.48328	1.8
251.16550	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	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77014	0.8
57.03461	33.3
57.03714	1.7
64.74924	1.1
75.26713	1.0
89.86180	1.0
97.06599	15.8
125.09695	9.3
137.09705	2.2
189.16513	4.1
191.14426	1.8
207.17558	100.0
251.16576	4.2
261.48990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74955	1.6
52.36354	1.7
55.01893	17.2
57.03445	4.2
69.03465	4.7
71.05027	12.0
77.14570	2.0
80.90892	1.8
83.05025	26.5
85.06594	11.1
95.05025	3.4
97.06583	27.1
109.06554	3.4
110.03728	1.9
111.08164	100.0
121.06622	13.8
122.32697	1.8
123.08149	4.3
125.06068	13.3
125.09761	16.0
162.10507	2.0
163.11307	40.7
176.15010	1.9
181.12346	60.5
206.33823	2.0
233.15498	2.9
251.16527	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	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	5.4
59.01386	7.5
63.52565	2.7
69.03465	3.9
69.92285	3.0
71.01401	3.0
73.02972	3.0
83.05043	5.3
85.02977	4.2
92.10163	5.4
92.65967	3.7
97.06602	3.6
106.04260	4.5
109.06618	15.8
116.42808	2.7
119.01374	3.5
121.06599	4.9
128.30183	3.6
130.52684	3.0
133.06627	4.2
137.09734	3.2
149.09738	14.4
161.09756	5.4
163.11273	22.6
164.08461	21.5
171.08310	3.3
173.13412	14.5
175.11290	6.6
189.09193	3.3
189.12894	55.2
191.14459	100.0
199.11368	6.3
207.13933	25.2
214.74030	2.9
215.14450	87.5
233.15515	81.2
251.12952	20.8
251.16550	27.9
261.39096	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	251.165
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
54.82550	2.9
57.03458	14.3
59.01378	11.7
65.49532	2.6
71.05033	2.7
73.02947	3.8
79.80175	2.6
80.46708	2.6
83.05025	6.8
85.02959	4.3
95.04994	2.9
97.06602	3.4
107.04974	2.9
109.06602	5.7
121.06535	3.0
133.06606	3.2
135.08177	5.3
147.08147	2.8
149.09703	13.9
153.09270	3.7
161.09729	3.4
163.11223	15.9
164.08429	17.9
170.24017	3.6
171.08154	5.4
173.13309	13.0
175.11354	4.5
181.12425	3.0
189.12845	45.5
191.14400	100.0
199.11230	6.3
207.13924	31.3
208.11024	4.3
215.14418	98.0
231.59500	2.8
233.11920	4.9
233.15448	99.3
237.50432	3.1
251.12859	23.8
251.16449	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82735	1.3
55.01877	1.9
57.03444	6.5
59.01378	17.6
59.55339	1.2
69.03455	2.9
70.50632	1.4
71.01357	2.0
71.05001	1.7
81.03506	1.4
83.05035	8.6
83.41843	1.6
84.02156	1.7
85.02968	2.7
88.51492	1.4
95.04994	5.9
95.83704	1.3
97.02946	2.1
97.06562	8.4
102.96188	1.6
107.05018	2.4
109.06590	3.6
111.08125	11.9
121.06588	3.0
122.03668	4.4
123.04514	1.7
123.08125	8.5
125.09666	1.7
126.32610	1.6
128.31232	1.5
137.09671	1.9
151.11299	5.9
161.09669	1.7
163.11288	19.1
179.14447	2.5
181.12321	6.5
189.12839	25.6
205.12027	1.7
205.15999	2.6
207.10124	2.0
207.13907	63.7
215.14438	2.2
217.12366	1.5
233.11795	5.4
233.15457	18.6
234.97650	1.5
251.13011	15.7
251.16507	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	251.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03233	2.6
57.03452	24.1
59.01393	12.6
69.03490	3.5
79.05549	3.9
83.05048	18.9
91.47836	2.9
95.05053	11.8
97.06586	35.6
99.04517	3.3
101.56352	2.9
107.05050	6.4
109.06641	3.0
111.08173	5.7
113.06100	3.2
121.06594	40.4
123.04558	5.3
133.06628	4.0
137.09712	3.7
139.07722	11.8
142.51193	3.6
163.11308	16.9
189.12865	100.0
207.13930	89.6
251.12881	43.6
251.16638	15.8
252.37498	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	249.1497
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
51.54427	0.8
55.01889	1.2
57.03458	1.6
69.03455	1.3
83.05015	6.6
95.05042	2.0
97.06589	13.0
105.07150	0.9
109.06587	1.9
111.08205	2.7
121.06589	1.9
122.03741	1.2
122.16541	0.7
123.08140	1.3
128.33214	0.9
131.25723	1.0
149.06075	1.4
149.09737	0.9
161.09731	1.6
163.11311	1.9
187.15010	1.1
191.10794	3.1
203.14433	0.9
205.08670	0.9
205.12361	1.2
205.15950	4.1
231.13986	1.3
249.14989	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	249.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.9
60.58352	1.0
69.03456	1.4
81.03455	9.2
83.05046	4.2
85.99080	0.9
90.19540	1.0
99.04524	7.4
103.21920	1.0
106.19418	1.0
109.37891	0.9
123.08167	1.5
137.09724	5.4
149.06093	1.1
149.09798	1.4
149.59041	1.2
151.04028	1.1
165.12854	5.4
175.11186	1.2
187.99274	1.2
189.12848	1.8
191.07147	4.8
203.14532	1.6
205.15988	33.7
207.13892	1.6
231.13907	10.8
234.12688	8.5
249.14986	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	249.1497
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
56.41080	1.1
57.54627	1.2
61.15245	1.0
64.92943	1.1
69.03471	1.5
74.64304	1.1
83.05016	7.6
85.23672	1.1
117.86485	1.3
123.08124	2.5
155.95532	1.2
163.11327	1.2
175.11238	5.0
203.14551	2.5
205.15996	100.0
206.16348	1.4
249.14977	81.5
250.15384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	3beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
Peak:m/z	Relative Intensity
52.78386	1.4
54.82662	1.4
63.16801	1.7
82.13332	1.7
83.05018	1.8
85.06605	1.7
92.99587	1.8
99.04508	2.1
108.02180	100.0
122.03732	32.3
123.04514	29.7
123.08138	2.9
149.06079	7.9
151.11281	10.3
156.42545	1.9
162.06885	4.1
165.12839	8.8
175.24838	2.1
176.93506	1.7
179.10750	3.6
187.14941	8.5
203.14452	3.7
205.16008	49.7
231.13905	2.0
234.12589	3.3
249.14963	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	249.1496
Annotation	Lychnopholic acid
Peak:m/z	Relative Intensity
51.17267	1.7
57.03460	21.5
59.01392	10.1
69.03453	4.0
71.05035	2.8
72.55308	2.2
73.70592	1.8
83.05040	11.1
85.02951	2.2
92.10175	4.7
97.06556	3.2
101.70464	2.2
107.05038	2.9
109.38761	2.2
112.52191	2.0
146.46156	2.3
149.09760	4.9
151.11305	35.8
164.04716	3.4
165.12846	5.3
167.10818	11.7
172.62590	2.1
177.12845	9.9
179.07167	5.0
187.14949	14.2
203.14377	9.3
205.15999	40.4
221.15588	8.3
231.13911	9.4
249.11137	8.8
249.14989	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	249.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37720	0.5
57.03453	3.7
57.63709	0.5
69.03468	1.0
83.05017	10.8
95.04990	0.6
97.06596	0.6
107.05006	0.7
129.26758	0.6
151.11261	0.7
174.33757	0.5
184.79211	0.6
187.14882	1.0
205.15962	3.2
211.19780	0.5
231.13849	0.8
249.14955	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	249.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30693	0.6
57.03453	6.2
59.01382	0.7
59.34988	0.5
63.28071	0.5
67.42516	0.6
69.06251	0.6
69.43842	0.5
76.44085	0.6
85.02962	0.7
86.60275	0.5
94.47277	0.5
97.06586	8.7
101.06087	2.5
120.05778	5.0
122.03745	3.2
123.04523	0.9
123.42424	0.7
129.33054	0.6
133.06599	1.3
135.04518	0.6
135.08160	59.0
147.08157	5.5
149.06067	7.0
151.11227	0.6
152.04782	1.2
158.20566	0.5
161.09712	0.9
163.11292	26.9
176.76424	0.7
177.09157	0.6
179.10815	9.2
191.10820	5.9
205.12381	16.3
205.15854	0.7
207.13971	1.0
231.13934	2.7
249.14986	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	249.1496
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
51.78331	1.1
52.13079	0.9
53.71309	1.3
55.01881	3.1
57.03463	1.6
71.05016	2.5
83.05029	8.3
85.06588	17.1
90.37820	1.2
93.03426	4.7
95.05022	8.0
97.82949	1.2
103.89897	1.2
105.07076	5.8
106.04237	3.1
107.05030	2.2
109.06574	1.7
111.04521	3.0
114.87744	1.4
121.02948	27.0
121.06587	13.5
122.03717	2.4
123.08154	36.4
133.06610	16.8
135.08157	1.9
136.05371	1.9
137.09747	11.5
144.05829	2.5
146.07410	1.7
149.06107	2.3
151.07658	60.0
161.09705	17.2
163.07623	7.5
173.06041	1.6
179.10773	21.7
187.11356	2.3
189.12860	1.8
205.12363	29.9
217.12366	5.0
231.13921	5.5
249.11359	16.7
249.14967	100.0
257.54437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86215	0.9
52.88013	0.9
55.01880	10.8
57.03462	1.4
60.43135	1.0
60.92332	0.9
62.38652	0.8
63.92985	1.1
74.66366	1.1
77.00689	1.2
81.03486	1.1
83.05040	21.5
93.03461	1.5
95.05044	10.4
107.05060	5.2
109.06583	1.5
119.94653	1.0
121.06617	10.2
123.08163	100.0
123.69640	1.1
135.08188	3.9
135.53703	1.0
137.09744	5.4
139.49863	1.1
151.07716	1.0
161.09766	4.7
176.36729	1.2
176.84805	1.1
179.10735	17.0
231.13972	1.7
249.11273	2.5
249.14999	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.6
59.01379	6.3
83.05064	0.3
85.80421	0.3
107.04998	0.6
115.07622	0.5
122.03736	0.8
136.05327	2.2
146.70177	0.3
149.06071	4.3
163.07684	0.7
164.08501	0.4
167.10777	100.0
168.11111	0.6
179.10777	3.2
205.16095	0.5
231.13820	0.7
239.29620	0.3
249.11119	10.9
249.14986	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	249.1133
Annotation	Illioliganone A
Peak:m/z	Relative Intensity
50.87553	0.5
56.92007	0.5
57.03460	11.1
57.19676	0.4
59.01388	0.7
65.47224	0.5
65.73819	0.5
69.03490	0.6
70.19325	0.5
83.05061	0.6
85.02962	1.0
88.64378	0.7
92.10046	0.6
93.52758	0.6
95.05016	0.8
121.06506	1.0
146.03749	3.1
149.06091	2.5
151.07671	7.1
161.06033	1.0
161.09798	0.7
162.03268	0.5
163.07663	5.3
163.11340	2.1
164.08504	0.7
173.06142	1.0
175.11264	0.7
188.04785	9.3
188.08420	1.3
189.09248	7.5
191.03519	5.1
201.05621	1.1
203.10832	1.1
205.08707	3.7
205.12410	3.2
216.07936	5.8
221.11862	16.6
231.08167	1.1
231.10297	16.9
231.13811	0.8
232.07411	0.7
233.08249	0.7
249.11348	100.0
249.14948	6.6
250.11765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Lyratol D
Peak:m/z	Relative Intensity
52.65731	1.1
59.01387	5.5
85.06589	1.3
107.05033	6.4
116.99822	1.4
121.02959	9.0
121.06609	15.8
122.03023	1.6
122.03738	98.9
123.04527	100.0
125.09710	14.9
133.16707	1.6
143.46898	1.3
148.05252	1.6
149.06097	13.4
159.08214	1.8
161.06039	1.7
174.99272	1.8
186.95659	3.1
189.09096	1.4
203.14435	11.5
219.14009	1.8
229.12544	1.6
247.13391	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
55.78615	0.1
59.01389	0.3
59.06731	0.1
79.22218	0.1
80.15374	0.1
81.88398	0.2
92.10170	0.4
102.42818	0.2
112.70412	0.2
131.53577	0.2
137.73795	0.2
148.75891	0.1
174.99336	0.2
186.95621	0.3
203.14372	0.3
205.15993	0.7
208.05145	0.2
231.13867	0.6
231.76772	0.2
247.17050	100.0
248.17372	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	247.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
82.73429	1.3
111.08178	2.7
113.06147	2.6
133.06584	2.3
144.05843	32.2
169.10251	2.7
184.71565	1.6
185.13348	38.5
187.11290	43.8
203.14447	34.2
219.53162	1.4
247.13409	100.0
249.42032	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.2
57.48163	0.6
59.01394	1.0
65.00338	1.4
80.75706	0.7
85.02956	22.5
85.03459	1.0
85.06611	3.7
86.02040	0.6
92.72113	0.6
107.05027	12.3
111.11896	0.6
134.02710	1.5
134.03746	54.0
149.06091	100.0
161.06119	6.9
162.06688	0.8
166.02786	1.0
175.11322	1.0
185.13428	7.0
186.95688	1.1
187.11324	1.0
189.09204	6.4
203.14407	4.0
229.12288	1.0
247.13420	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63608	0.3
56.41572	0.3
57.03452	4.7
57.87341	0.3
59.01379	1.8
69.03421	0.3
73.02953	2.2
77.17181	0.3
106.75307	0.3
121.02949	0.8
133.06493	1.3
134.03748	24.8
137.44098	0.3
143.05043	0.4
147.04533	70.5
161.06079	11.4
161.09721	1.4
166.02731	9.7
176.08363	0.3
177.09218	30.3
185.06081	3.7
185.09755	0.5
186.01035	0.4
186.95685	0.6
187.11302	20.9
189.09241	6.4
203.10756	0.4
203.14371	2.8
214.45480	0.3
229.12341	4.1
247.13414	100.0
248.13817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83321	1.0
55.90716	1.1
57.03472	1.9
59.01388	7.2
59.44495	1.0
59.81514	0.9
60.99330	1.6
64.34395	1.2
71.93304	1.0
73.02944	12.5
83.05038	2.7
87.04549	1.1
90.97172	1.2
109.03054	1.1
113.06100	11.5
121.02982	2.5
132.98140	2.7
133.06613	6.9
143.08614	2.0
147.08195	2.0
149.06084	1.7
158.07426	2.1
159.08112	1.7
161.06090	5.5
169.10263	6.2
171.08128	5.0
175.07666	4.8
177.09230	6.0
185.13382	32.2
186.95613	6.0
189.09251	13.7
201.12869	2.0
203.10910	1.8
203.14474	16.6
229.12341	2.5
247.13417	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09217	2.0
52.88993	1.9
59.01397	11.5
71.05004	2.7
81.04798	2.1
84.40163	2.3
85.06618	3.9
90.38922	2.3
91.99976	2.6
107.05010	5.2
107.33450	3.2
121.02972	12.9
122.03735	100.0
123.04523	98.0
125.09718	5.3
131.35228	2.3
144.05858	11.9
154.61246	2.5
167.90840	2.2
172.13525	3.0
185.13335	23.6
186.06854	5.9
186.95615	5.0
187.11264	18.2
191.75992	2.7
203.14436	35.7
211.13658	3.1
229.12401	18.7
232.36829	2.5
247.13403	89.7
257.37540	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42391	0.3
54.82856	0.3
57.43140	0.3
59.01390	100.0
63.02353	0.3
67.72855	0.3
73.30412	0.3
97.06572	0.4
99.86367	0.4
151.93468	0.4
183.13898	1.9
185.11827	1.4
245.13939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82136	0.3
59.01385	100.0
65.18037	0.3
68.65092	0.3
72.82968	0.3
80.62169	0.3
94.63669	0.3
108.56387	0.3
120.43837	0.3
156.86841	0.3
185.11848	0.7
203.12921	1.4
215.89429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43353	0.2
59.01384	100.0
59.06223	0.2
61.11125	0.2
64.54422	0.2
67.11182	0.2
69.06757	0.2
73.02938	0.3
81.03443	0.3
99.04495	0.4
163.57549	0.3
172.00313	0.2
231.45715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
68.64630	0.2
75.00864	0.2
78.34202	0.2
92.65852	0.2
92.87209	0.2
96.97032	0.2
122.64861	0.2
157.79845	0.2
245.10440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65017	0.2
56.94788	0.2
59.01382	100.0
68.51312	0.2
87.36900	0.3
92.10764	0.5
99.25957	0.3
117.41833	0.3
120.48912	0.3
167.10863	1.0
176.37808	0.3
181.57733	0.3
185.11852	4.1
201.11366	1.3
245.13849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01390	100.0
63.80031	0.2
83.05064	0.3
85.06587	1.6
102.73952	0.3
109.06586	0.4
111.08181	1.1
113.26405	0.4
135.55663	0.3
165.12854	1.7
190.00465	0.3
190.03606	0.4
205.28572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47359	0.2
57.03458	0.2
59.01386	100.0
59.21321	0.2
78.17867	0.2
78.38997	0.2
82.02843	0.2
85.06601	0.4
97.06584	1.0
102.18769	0.2
147.78096	0.2
155.10849	0.3
185.11859	1.0
195.87784	0.3
201.11363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.45653	0.3
86.70325	0.3
95.65052	0.3
108.48178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1031
Annotation	Jioglutin D
Peak:m/z	Relative Intensity
53.40284	0.6
56.99271	0.8
57.87632	0.7
59.01384	63.0
71.01359	1.3
74.31995	0.8
79.93456	0.8
81.03478	5.9
88.44511	0.9
93.43377	0.8
95.05036	1.3
101.36406	0.8
107.05053	1.0
121.06593	2.1
123.08173	37.3
125.06146	1.6
129.54942	0.8
141.09229	76.2
156.93394	0.9
158.04990	1.1
165.03674	0.9
167.07172	1.7
173.60928	0.8
178.17557	0.8
184.22490	0.9
185.08200	100.0
197.22122	0.9
197.74869	0.8
200.62238	0.8
231.72066	0.9
245.10368	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42391	0.3
54.82856	0.3
57.43140	0.3
59.01390	100.0
63.02353	0.3
67.72855	0.3
73.30412	0.3
97.06572	0.4
99.86367	0.4
151.93468	0.4
183.13898	1.9
185.11827	1.4
245.13939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05042	0.3
59.01384	100.0
64.34647	0.3
74.26793	0.3
83.51408	0.3
89.79845	0.3
92.10121	0.6
98.50200	0.3
104.61664	0.3
129.76590	0.4
136.24136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.72337	2.4
55.01914	3.2
57.03466	14.9
59.01387	100.0
63.70721	2.4
68.43253	2.5
69.03465	20.7
71.01395	6.4
71.05034	19.1
73.02964	5.9
82.99620	2.9
83.05038	4.3
85.02972	4.5
87.04523	24.4
88.62885	2.6
93.07087	29.0
95.93326	2.7
97.02972	3.9
99.04530	4.2
102.10838	2.7
105.49982	2.5
109.06622	4.1
111.08157	32.4
113.02464	4.4
115.03989	5.6
125.06064	5.2
129.05579	4.8
129.58752	2.4
137.06049	3.3
145.10236	4.1
151.11330	11.6
155.07175	15.2
166.26224	2.9
181.12436	2.8
195.10277	10.6
200.04646	2.9
213.11269	4.0
225.11383	17.9
243.08736	3.8
243.12424	71.1
259.47931	2.9
261.11374	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	245.0434
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.30545	0.4
51.40123	0.4
58.86541	0.5
64.86803	0.5
73.33083	0.5
78.95901	100.0
87.71049	0.6
96.96956	8.7
112.02447	0.5
138.04074	0.6
150.98053	0.7
152.99594	64.3
170.99190	1.3
171.00645	28.9
179.74417	0.5
245.04332	58.8
269.21814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0819
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.81773	1.3
57.03471	3.0
59.01395	23.2
61.46601	1.4
62.05476	1.1
76.67017	1.3
81.03482	6.4
84.80036	1.4
93.03457	2.0
94.56427	1.3
94.81880	1.5
95.05027	6.0
97.02949	1.6
101.78252	1.4
109.02972	8.1
109.64955	1.3
121.02968	5.0
123.04536	7.1
135.27284	1.3
146.03749	2.7
147.04539	3.1
159.04514	17.6
160.05324	6.8
161.06082	12.0
165.05663	1.9
173.06082	3.2
175.03983	7.6
175.07692	11.4
187.04004	19.6
188.04851	14.5
197.31937	1.6
201.05585	3.2
202.06392	6.2
203.07159	39.1
212.04880	3.2
227.07185	7.2
230.05840	2.3
237.36520	1.6
245.08209	100.0
245.10207	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00919	1.1
55.13316	1.0
57.03465	5.6
59.01386	31.4
59.51642	1.3
61.81797	1.1
62.41597	1.2
67.19486	1.2
69.03458	8.7
70.96749	1.2
71.01381	11.4
71.05016	1.2
71.15430	1.3
72.99310	23.3
73.02962	2.1
83.05029	47.1
85.02959	1.4
87.00856	11.3
95.05058	1.4
97.02959	8.4
104.85468	1.2
109.06605	11.4
111.08198	5.3
113.02458	7.7
129.05579	1.7
137.06099	19.3
139.03996	2.1
155.07143	22.8
173.08229	2.2
189.94366	1.3
243.12401	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74553	1.3
57.03444	2.6
59.01381	100.0
73.59095	1.3
108.01059	1.8
139.11276	30.3
143.09171	1.6
148.36403	1.6
153.97180	1.5
169.90016	1.5
181.12325	13.7
183.10266	36.7
199.13419	8.8
201.11543	1.6
225.11330	13.1
227.42357	1.6
229.40753	1.7
243.10042	2.1
243.12369	46.6
251.94569	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	28.0
57.03711	1.4
59.01385	100.0
60.99327	1.1
68.94068	1.0
69.03476	4.7
71.01408	4.3
72.99321	6.0
73.59323	0.9
83.05026	31.6
83.05473	1.7
93.07111	1.2
95.05036	2.6
101.06093	2.6
109.06644	1.5
111.08117	3.9
115.04010	1.6
119.08604	1.2
121.07442	1.2
121.10268	1.8
123.08166	2.2
135.08194	1.3
139.07681	8.0
139.11259	13.9
151.42319	1.0
173.08160	1.7
181.12386	4.4
183.10283	72.1
199.13480	1.9
225.11252	4.3
243.12376	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51978	0.9
53.10739	0.9
54.82981	1.1
56.88704	1.0
57.03450	7.9
58.61946	1.0
59.01387	6.3
68.76639	1.1
69.03462	8.0
71.05031	8.2
72.99307	29.9
74.91470	1.0
77.59074	1.0
81.03471	1.3
83.05029	25.4
83.05481	1.6
85.06592	1.1
93.07082	1.4
97.02946	19.1
99.08156	1.8
109.06574	8.0
111.08166	8.5
112.63480	1.1
120.47831	1.2
122.40446	1.2
125.06129	1.4
127.07707	1.1
137.06088	4.4
151.11284	1.1
163.11205	1.5
179.10640	1.3
181.12332	1.1
205.71330	1.1
208.31145	1.1
225.11319	6.5
243.12383	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.5
57.36871	0.7
57.47086	0.7
59.01389	15.3
63.35712	0.7
65.75696	0.7
65.88048	0.7
69.03455	4.6
71.01388	4.7
72.99309	26.5
73.02936	1.0
83.05029	17.0
87.00872	8.8
92.10136	1.3
92.16723	0.8
93.03414	0.8
93.07081	1.6
102.82579	0.8
109.06591	14.7
111.08190	1.6
111.34605	0.8
113.02426	6.2
137.06084	29.3
139.04044	6.6
155.07158	25.3
157.05028	3.5
172.07451	1.8
173.08252	3.4
243.12404	100.0
244.12880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03041	1.6
57.03461	8.3
59.01388	100.0
65.20460	1.5
66.67825	1.8
69.03465	1.7
71.01392	2.9
71.31894	1.5
73.02941	1.9
83.05045	1.8
90.41644	1.6
95.05026	1.9
99.23428	1.7
111.08177	13.2
113.06106	10.0
129.09213	2.0
130.44061	1.8
137.09755	2.5
139.11313	32.5
163.11295	7.9
166.10002	2.6
179.24570	1.8
181.12373	35.9
183.10301	32.9
199.13437	9.5
225.11310	12.9
243.12413	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89019	0.6
56.81845	0.6
57.03454	20.3
57.03718	1.1
59.01386	100.0
60.25119	0.6
60.99323	1.1
65.73253	0.6
74.16537	0.6
79.52377	0.6
83.05047	1.4
95.05109	0.7
117.03474	3.1
120.72612	0.8
123.08191	2.8
135.13087	0.7
139.11292	15.6
142.06993	0.7
145.02951	5.6
145.94070	0.8
183.10274	67.9
201.11423	0.8
243.12425	10.1
244.87100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0874
Annotation	Tensyuic acid F
Peak:m/z	Relative Intensity
56.48321	2.0
57.03472	15.4
63.29572	2.2
67.05570	4.5
69.03465	65.0
69.03797	3.6
71.01405	12.0
71.05029	69.7
71.05405	2.7
81.03474	3.3
83.05031	28.2
85.06609	33.8
98.03754	4.2
99.01018	2.6
109.06614	14.8
110.03747	3.6
111.04531	9.8
111.08125	2.4
127.07677	9.8
128.53116	2.4
137.09715	4.1
139.07634	2.7
164.54765	2.3
181.08748	22.9
199.07961	3.2
199.09779	100.0
199.11563	4.2
243.08762	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	A factor
Peak:m/z	Relative Intensity
57.03466	1.1
59.01382	62.2
60.24313	1.1
61.98833	2.0
69.03451	5.1
71.01385	7.1
72.02173	1.5
73.02948	2.7
78.90993	1.1
80.75512	1.1
83.01405	1.1
83.39550	1.2
85.06584	7.0
89.02432	5.0
97.06555	8.7
101.02463	2.5
109.06556	1.5
111.08348	1.0
125.09725	6.8
137.09740	1.6
139.11296	7.1
151.11288	11.4
153.12863	1.9
167.14372	2.1
169.12328	14.4
169.15932	1.6
179.14403	13.2
181.07191	17.7
195.14091	1.9
197.15489	56.0
199.13376	1.8
223.13545	1.7
241.14484	100.0
242.14757	1.8
246.34795	1.3
250.41658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	9.8
61.45789	1.7
61.98834	23.8
65.19270	2.0
79.04101	1.9
82.02979	22.5
83.00033	1.8
83.01380	5.0
84.00934	2.9
84.04537	3.7
85.06606	10.3
87.00879	2.6
94.03008	2.0
96.04552	2.0
97.02954	4.3
98.02451	4.7
100.04059	4.8
101.21146	1.8
101.49186	1.9
107.05042	34.9
109.42472	1.8
110.06139	3.8
112.04063	23.0
112.07693	100.0
124.04042	12.3
124.07659	9.2
125.06087	3.8
126.09251	2.9
128.03545	4.4
136.07675	19.6
137.06046	2.6
138.05611	4.3
140.07179	34.4
142.05032	2.3
150.05731	2.3
155.07201	2.9
170.08224	11.7
190.26303	2.4
196.06134	30.5
198.07742	39.8
214.07207	9.6
230.11230	2.4
242.06726	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.99727	0.8
55.01868	1.1
59.01390	15.9
60.21774	0.8
61.98859	1.3
71.01386	8.3
72.99327	5.4
75.00868	1.0
83.01404	1.1
83.05035	1.0
85.02955	2.0
87.00926	1.0
89.02464	4.0
96.13959	0.8
97.06583	1.6
99.04519	1.2
101.02444	3.9
111.08157	1.4
117.06174	1.2
124.62296	1.0
125.09685	7.6
137.09749	4.0
139.11345	8.1
149.09747	1.0
151.11278	6.7
151.25883	0.9
153.12877	4.8
165.12849	5.2
167.14452	15.1
169.08673	1.2
177.12828	2.1
179.14388	8.0
181.07207	15.9
195.13930	34.2
213.34460	0.9
223.13374	1.9
241.14482	100.0
253.63478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	A factor
Peak:m/z	Relative Intensity
52.71115	1.2
54.82824	1.0
63.27670	1.5
71.01396	1.2
73.76926	1.3
87.42159	1.3
99.27836	1.3
105.13406	1.2
137.07965	1.3
151.25563	1.3
173.07976	1.3
179.14407	8.7
197.15469	100.0
223.13385	1.9
241.14445	82.0
244.99538	1.4
250.44392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84612	2.0
57.03453	100.0
57.73363	1.7
59.01383	26.9
65.46906	2.3
69.03439	8.8
70.89301	2.1
71.01372	2.4
73.34727	2.0
77.39010	2.1
94.04247	13.8
95.98814	2.6
100.54620	2.5
100.81840	2.3
101.02427	2.3
107.37429	2.3
109.06593	2.9
127.07655	50.9
137.08749	2.8
137.09731	53.2
153.09148	2.4
153.12845	9.2
155.68481	2.2
169.12471	2.5
173.51245	2.3
179.10788	10.7
181.07184	8.0
181.08618	3.8
197.11855	85.6
241.10811	58.1
241.14496	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	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
52.14226	1.4
57.03463	8.9
59.01382	58.9
71.01386	2.7
85.06586	100.0
87.04501	1.8
99.04514	45.3
99.05082	2.6
108.68494	1.7
109.06609	12.5
119.08675	2.2
135.11816	2.1
137.09740	10.7
142.51762	1.6
151.11267	1.5
153.11557	1.7
153.12813	11.0
179.10777	14.0
181.07182	9.3
181.08739	10.9
197.11838	61.5
197.58528	1.5
214.69319	1.6
228.75397	1.8
241.10858	50.7
241.13593	1.8
241.14452	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	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.3
57.03452	1.2
59.01381	12.1
61.98831	1.4
71.01380	7.4
72.09608	0.8
72.99328	5.6
73.02964	1.1
73.68192	0.8
75.00901	1.0
79.46133	0.7
84.45972	1.0
85.02968	1.0
89.02453	4.8
93.03438	1.3
97.06602	1.9
99.65989	0.9
101.02419	3.2
108.51757	0.8
109.06585	1.0
111.08167	1.2
123.08163	1.6
125.09734	4.6
137.09747	3.2
139.11281	6.4
151.11281	8.9
153.12860	7.8
158.91940	0.8
165.12833	4.8
167.14426	15.5
177.12906	4.4
179.14449	6.0
181.07196	16.8
195.13916	40.5
197.15495	1.5
223.13492	2.0
241.14482	100.0
242.14771	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	241.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27366	1.0
57.03461	2.3
58.00609	0.9
59.01402	8.0
61.98847	1.2
63.42252	1.0
71.01394	4.4
73.02944	1.1
89.02458	1.6
97.06589	2.2
101.02443	2.5
114.69201	1.3
118.93139	1.1
123.08132	1.3
125.09721	1.4
132.24524	1.0
137.09726	1.8
139.11296	2.2
151.11288	6.9
153.12874	1.8
165.12856	6.3
167.14410	44.6
169.16006	2.6
179.14444	14.2
181.07167	12.9
181.12396	1.9
195.13934	5.7
197.15500	74.3
199.13416	1.6
216.97807	1.1
223.13420	8.3
241.14482	100.0
242.14851	2.0
261.39920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	25.7
59.01389	7.6
61.74208	1.4
64.34023	1.6
71.01374	2.3
71.05023	10.5
83.05026	3.2
89.02480	2.1
95.05015	4.2
99.04514	21.2
102.53453	1.6
109.06599	9.0
110.65978	1.6
116.95038	1.8
121.06522	2.2
125.09684	16.3
127.07663	2.8
135.11137	1.7
137.08731	2.9
137.09721	52.6
151.11298	9.3
153.05591	13.9
153.12794	7.4
169.12360	7.9
179.10768	7.0
181.07204	10.6
192.82137	1.8
197.11844	100.0
205.08760	30.1
223.09778	14.9
241.10855	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	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58172	1.5
57.03474	7.8
59.01390	21.7
62.94308	1.9
68.29030	1.9
69.03469	2.1
70.59442	2.1
71.01399	4.9
71.05042	2.4
73.02990	3.0
76.76842	1.8
81.03464	7.2
82.22358	2.1
83.05028	33.7
85.06656	2.1
89.02435	4.1
97.06611	9.4
98.13196	2.0
101.02419	2.2
109.06599	7.8
111.08133	3.0
123.08131	2.7
125.09763	4.0
137.09653	2.8
148.88779	1.9
151.11298	53.2
153.12885	10.1
177.09146	2.1
179.10786	100.0
179.14467	4.5
181.07176	22.9
185.76518	1.8
188.03900	2.3
195.10272	18.1
197.11853	50.7
199.75406	2.3
241.10863	55.6
241.14474	40.7
264.41663	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	241.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68814	3.3
54.82421	4.3
57.03458	20.2
57.75473	3.1
57.75844	3.2
58.00597	3.4
59.01386	34.6
65.64777	3.4
69.03462	16.2
71.01380	15.0
72.99306	5.8
73.02937	6.8
79.39169	3.8
83.05026	65.5
85.02953	13.9
87.00869	79.4
88.39323	3.6
89.02473	3.8
93.03456	7.7
95.05040	5.1
97.02900	4.3
97.06567	25.2
99.04510	56.1
101.02445	6.3
103.14989	4.4
103.42850	3.7
107.05013	5.1
109.05415	3.6
109.06602	78.3
111.04519	33.9
123.00691	4.0
161.09720	4.6
167.10724	5.0
179.10791	50.0
181.07220	28.6
197.11873	8.6
202.42589	3.9
211.09770	47.8
241.10835	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01513	1.2
57.03455	26.6
59.01389	3.0
71.01388	2.0
83.05038	1.7
87.94977	1.3
105.31325	1.2
109.06593	5.5
125.09744	2.0
127.07658	2.1
129.05341	1.2
137.09677	6.2
151.11259	1.9
153.05573	14.1
157.32806	1.3
179.10783	5.7
181.07207	3.3
190.06425	2.4
197.11848	100.0
203.07275	1.8
205.08713	46.5
223.09787	16.0
241.10852	52.3
241.14500	4.3
247.70267	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	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03463	3.8
57.16497	1.7
59.01393	43.9
63.47582	1.4
69.03480	3.1
71.01394	21.3
71.05016	2.6
72.99297	3.2
73.02956	7.7
75.42082	1.4
83.05038	6.4
84.02185	17.6
85.02966	15.0
89.02444	19.1
91.05534	2.5
92.10231	2.5
92.66634	1.5
94.21126	2.1
95.05050	2.3
97.06555	1.9
99.04485	2.2
101.02420	2.4
111.08157	6.9
113.02434	3.9
119.03527	2.6
123.04518	11.2
125.06085	1.9
125.09694	15.4
129.93127	1.6
139.11205	2.7
147.14963	1.6
147.68237	1.6
149.06108	6.8
151.11287	3.1
153.12817	9.6
155.37405	1.7
163.11258	2.4
165.09288	6.2
165.12898	2.5
167.14284	2.4
175.11409	2.0
177.12845	31.5
179.05600	6.7
193.12352	31.2
195.13916	100.0
196.14291	1.9
203.14423	7.9
221.15480	12.9
237.15068	3.1
239.05527	2.0
239.12965	15.2
239.16559	49.4
258.49594	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	239.2017
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
58.32745	0.7
59.01384	34.4
71.01384	9.5
78.89594	0.8
83.01456	0.7
85.02971	1.7
87.00906	0.8
89.02443	10.1
91.02229	1.6
94.45103	0.7
95.01379	1.6
99.03548	0.9
99.10609	0.7
101.02436	0.9
113.02433	1.8
119.03520	0.9
123.00879	1.4
141.01743	3.6
149.01013	0.8
149.06114	3.3
163.04137	1.0
167.14474	1.0
176.37360	0.7
177.05583	1.0
179.05608	5.0
195.13879	3.8
221.19223	1.0
223.02855	14.3
239.06584	1.0
239.20178	100.0
242.21548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.9
57.03467	0.7
59.01396	10.2
64.35125	0.8
71.01395	5.4
73.02952	100.0
77.84610	0.7
77.97335	0.7
89.02447	3.7
154.06363	1.2
165.12883	1.2
179.05595	1.7
195.13916	3.4
204.21909	0.8
239.16539	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18293	0.8
57.03460	5.5
58.83558	0.8
59.01387	36.0
69.03453	1.3
71.01381	16.1
72.99324	1.0
73.02936	7.2
79.99831	1.0
80.42648	0.9
85.02967	14.3
87.00868	1.5
89.02455	13.1
91.76553	1.0
95.05021	1.4
98.06083	0.9
101.02457	1.2
111.08181	4.7
113.02483	1.2
119.03536	1.3
125.09680	1.1
137.09715	8.8
149.06114	2.1
151.11320	3.9
153.12881	27.6
163.11279	1.7
177.12840	2.0
179.05632	6.2
179.14423	17.4
195.13921	2.2
195.17529	4.1
219.49666	0.9
219.64474	1.0
221.15520	1.8
223.02859	14.3
239.12741	4.2
239.16562	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	239.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16703	0.2
57.03457	0.8
57.68533	0.3
58.00600	5.3
59.01388	18.5
61.98846	0.5
65.03979	2.1
69.03459	0.3
71.01385	5.6
71.05019	0.3
72.99310	0.5
73.02981	0.4
81.03470	0.4
85.02981	0.6
87.00893	0.5
87.12784	0.3
89.02440	6.1
90.72068	0.4
91.05478	0.5
92.66614	0.3
93.07133	1.4
95.01398	0.7
99.08176	1.2
101.02451	0.5
102.14578	0.3
107.05061	0.6
113.02460	1.2
119.03520	0.7
121.06598	3.0
123.08141	0.5
139.11336	0.3
141.01794	0.6
141.09035	0.3
149.06117	0.5
149.13408	0.6
151.11357	0.5
153.12840	0.5
156.68457	0.3
157.12392	1.6
163.11290	6.2
165.12869	0.5
167.14394	0.5
177.05560	3.4
177.12856	0.8
179.05634	2.6
179.10788	1.2
192.07957	8.2
193.16014	0.4
195.13937	1.4
197.15605	0.4
207.10307	100.0
208.10661	1.8
221.15471	0.5
223.02873	1.2
239.05591	0.4
239.12943	3.8
239.16600	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	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
54.99454	1.3
56.95392	1.2
57.03452	39.5
59.01384	100.0
59.36127	1.2
71.01374	18.9
71.01678	1.3
83.61039	1.5
85.06577	2.9
89.02447	10.2
92.10117	3.7
98.96587	1.3
115.04004	8.4
124.65360	1.5
167.14409	13.1
179.05571	2.4
195.13963	2.0
195.17502	2.5
213.85469	1.9
221.15529	9.9
239.16534	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44585	0.2
57.03217	0.2
57.03445	2.2
57.45011	0.3
59.01385	2.1
66.39090	0.3
69.03467	0.7
71.01400	0.6
72.85776	0.3
74.82185	0.3
75.45195	0.4
81.03474	0.3
89.02449	0.5
92.10741	0.5
123.38972	0.3
125.09695	0.4
128.62483	0.3
135.87762	0.3
149.06093	0.4
151.11345	0.3
179.05566	0.5
179.14426	3.9
195.13875	0.4
195.17589	5.0
205.04855	0.3
221.15535	0.6
239.16550	100.0
240.16977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90495	0.7
57.03466	4.9
58.00618	0.7
59.01389	35.2
63.86026	0.6
69.03450	0.7
71.01392	12.5
71.05071	0.6
72.99323	2.9
73.02960	1.6
81.03486	1.1
83.65029	0.7
85.02970	3.5
85.06602	0.8
89.02440	14.6
89.76288	0.8
91.05553	0.9
95.01339	1.2
97.06633	0.9
101.02467	1.7
104.30586	0.8
113.02462	3.1
116.16630	0.7
119.03458	0.9
139.11319	1.0
149.06041	5.3
151.11316	1.7
161.04561	1.3
167.14500	0.9
169.12344	3.1
177.12840	4.4
178.95045	0.9
179.05659	7.0
179.14345	1.1
184.63843	0.7
195.13919	95.6
221.15437	8.5
239.05713	1.1
239.12889	50.2
239.16539	100.0
257.51758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11817	1.0
50.66380	0.9
57.03459	5.4
58.59762	0.9
59.01384	18.2
69.03468	5.0
71.01383	7.8
71.05019	25.4
72.99337	2.0
79.75648	0.9
80.32081	1.0
83.05029	5.4
85.06586	17.0
87.00907	1.7
89.02449	6.1
97.06606	2.4
109.06607	1.8
111.08172	8.1
113.02450	2.0
123.08199	4.8
125.09752	2.0
141.09247	7.0
149.06168	1.5
151.11327	14.8
153.09230	2.4
155.20535	1.1
177.12816	2.5
179.05646	2.1
193.12361	1.3
197.26196	1.1
221.15498	16.5
239.05582	1.3
239.13057	8.5
239.16556	100.0
240.16801	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	239.1654
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
55.01894	2.9
57.03467	0.7
59.01396	10.2
64.35125	0.8
71.01395	5.4
73.02952	100.0
77.84610	0.7
77.97335	0.7
89.02447	3.7
154.06363	1.2
165.12883	1.2
179.05595	1.7
195.13916	3.4
204.21909	0.8
239.16539	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18293	0.8
57.03460	5.5
58.83558	0.8
59.01387	36.0
69.03453	1.3
71.01381	16.1
72.99324	1.0
73.02936	7.2
79.99831	1.0
80.42648	0.9
85.02967	14.3
87.00868	1.5
89.02455	13.1
91.76553	1.0
95.05021	1.4
98.06083	0.9
101.02457	1.2
111.08181	4.7
113.02483	1.2
119.03536	1.3
125.09680	1.1
137.09715	8.8
149.06114	2.1
151.11320	3.9
153.12881	27.6
163.11279	1.7
177.12840	2.0
179.05632	6.2
179.14423	17.4
195.13921	2.2
195.17529	4.1
219.49666	0.9
219.64474	1.0
221.15520	1.8
223.02859	14.3
239.12741	4.2
239.16562	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	239.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66151	0.5
57.03455	0.6
59.01385	4.9
71.01390	1.5
72.99308	0.5
89.02464	1.6
92.10136	0.4
100.79576	0.4
138.23184	0.5
149.06076	0.5
151.11301	0.8
164.75336	0.4
165.37085	0.4
177.12862	1.0
179.05708	0.6
182.81290	0.5
195.13940	28.6
212.96716	0.4
221.11784	0.5
239.13083	9.1
239.16573	100.0
240.16951	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	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21422	1.0
53.37300	1.0
54.83052	1.1
55.01891	1.5
57.03451	18.4
59.01387	14.8
62.16677	1.2
67.01894	5.4
69.03459	2.6
71.01390	8.4
73.02940	1.9
73.61127	1.2
81.03465	2.5
83.05034	10.5
84.02182	2.3
85.02944	41.3
89.02439	5.9
92.10134	1.4
97.02946	17.7
109.06574	3.0
110.03712	2.2
125.09682	1.4
139.11298	7.1
142.02637	1.4
151.11339	2.3
162.72874	1.2
164.12016	1.5
169.12335	2.3
171.10223	7.6
172.36749	1.3
172.38268	1.2
177.12840	15.8
179.05652	5.2
179.14426	78.6
193.12338	1.8
195.13895	7.8
195.17514	5.6
221.11880	34.5
221.15388	5.5
239.12857	42.8
239.16521	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	239.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83192	0.5
56.41418	0.4
57.03456	2.2
59.01393	1.0
68.39100	0.4
70.88350	0.4
78.96066	0.4
89.02511	0.5
94.01733	0.5
97.06577	0.7
120.96663	0.5
141.24823	0.5
169.12389	5.0
177.12845	2.3
179.14455	1.1
180.92772	0.5
195.13853	0.9
195.17538	0.6
221.15485	12.1
239.16550	100.0
240.16878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82865	0.4
55.50937	0.3
56.26293	0.3
58.00601	5.7
58.73036	0.4
59.01384	8.1
65.03979	2.2
69.03460	0.4
71.01393	2.7
71.05001	0.5
74.98714	0.4
75.48549	0.4
78.54377	0.4
85.02995	0.6
89.02426	4.1
101.02457	0.4
107.05042	1.7
113.02445	0.5
114.39178	0.4
121.06572	2.1
123.08178	0.6
151.11234	0.5
151.94551	0.4
163.11296	6.6
167.14331	0.5
177.05553	2.6
177.12834	1.8
179.05615	1.5
192.07909	7.0
195.13892	0.8
207.10287	100.0
221.15526	0.9
223.02850	0.8
239.12952	3.1
239.16553	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	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91115	1.1
57.03469	3.5
59.01392	39.9
69.03474	1.4
71.01386	17.9
72.99303	12.0
83.05045	1.6
85.02964	1.3
89.02433	17.8
91.05541	8.5
91.29102	1.5
97.02950	5.4
101.02449	2.8
113.02459	3.2
114.50938	1.4
117.03483	3.3
119.03452	2.4
125.06084	6.3
125.09749	2.7
133.06578	2.3
149.06096	17.2
151.11276	3.1
161.04681	1.7
163.04015	5.7
174.77957	1.7
177.05591	3.4
177.12897	9.9
179.05597	9.8
195.13914	100.0
236.04701	1.5
239.05646	12.7
239.12935	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91593	0.5
53.71811	0.3
57.03455	1.0
57.92189	0.4
58.00596	6.1
59.01380	15.5
65.03967	1.9
69.03452	0.5
71.01379	6.3
72.99342	0.8
76.04773	0.4
85.02979	0.9
87.00946	0.5
89.02442	7.3
90.60685	0.4
101.02430	0.8
103.17284	0.4
113.02421	0.6
117.33672	0.5
119.03496	1.8
121.06591	2.2
123.08149	1.0
141.01735	0.4
147.84460	0.4
149.06145	0.6
153.12881	0.6
157.12335	1.9
161.04582	0.6
161.09743	0.6
163.11279	7.7
177.05591	2.7
177.12856	0.7
179.05609	2.3
179.10811	0.5
179.14430	2.2
192.07945	7.7
195.13911	1.0
195.17572	1.7
197.15514	0.7
207.10292	100.0
208.10538	1.7
221.15471	1.0
223.02910	0.9
239.12967	4.1
239.16579	10.2
240.16872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.12604	0.5
51.02539	0.5
54.83471	0.5
55.38840	0.6
56.29141	0.6
57.03473	0.6
57.80471	0.5
59.01391	4.7
65.27910	0.5
151.11284	6.2
167.14403	5.7
177.12817	2.6
195.13922	100.0
239.12910	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53175	0.3
53.09216	0.4
53.64994	0.3
55.10422	0.4
57.03473	0.4
58.00599	7.9
59.01383	7.0
63.74710	0.4
65.03970	2.1
65.22274	0.4
67.46815	0.4
71.01398	1.8
75.09322	0.4
85.02961	0.5
89.02458	1.6
107.05034	1.0
113.02434	1.0
121.06604	1.9
123.08245	0.6
126.92633	0.5
130.99478	0.5
139.43042	0.4
149.06099	0.5
151.11304	1.1
162.40674	0.4
163.11285	5.9
177.05611	3.1
177.12846	2.0
179.05638	0.7
179.10704	0.6
179.14426	0.8
192.07948	7.5
195.13933	1.8
207.10289	100.0
208.10744	0.9
221.15565	0.7
223.02856	0.6
239.12943	3.8
239.16551	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	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.56631	0.6
56.42291	0.7
59.01379	7.2
60.47515	0.7
71.01382	3.3
72.99307	1.9
81.03449	0.8
89.02453	3.6
91.05542	1.3
97.02910	7.8
97.06326	0.8
107.51661	0.8
108.02148	0.9
109.06577	1.1
110.03752	1.2
121.06567	1.3
125.06056	1.5
136.69194	0.8
149.06070	4.3
151.11305	5.2
151.59860	0.9
177.12833	10.8
179.05692	1.1
195.13919	100.0
196.14291	1.2
239.12917	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
54.56301	0.4
57.03456	41.7
57.12016	0.5
58.27602	0.4
59.01382	6.5
69.03468	4.4
71.01387	1.0
72.99306	0.7
83.05042	2.7
89.02466	2.3
94.04240	0.6
95.05025	4.4
99.08106	0.5
107.05030	2.4
109.02967	1.9
109.06602	3.3
112.48318	0.4
119.61091	0.5
125.06075	2.7
125.09723	100.0
126.10118	0.6
135.08154	0.6
136.56078	0.5
137.09729	3.2
138.93983	0.4
141.23006	0.4
143.56891	0.5
147.32185	0.5
149.06070	0.7
151.11249	2.3
153.12859	0.7
161.78470	0.5
169.08795	0.6
177.12866	31.7
179.05591	0.8
180.11603	3.6
195.13954	8.2
221.11882	0.7
239.12927	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	239.0558
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
58.00599	7.5
59.01392	4.1
69.72715	1.1
71.38632	1.2
72.99294	72.3
72.99685	2.8
74.52561	1.2
91.05515	63.8
101.68043	1.2
109.56258	1.2
115.05513	6.8
117.03435	18.4
131.04990	12.4
133.06564	8.2
149.06068	100.0
153.45030	1.3
163.04005	25.8
177.05554	25.7
178.70216	1.4
186.81184	1.5
195.36995	1.3
239.03296	2.6
239.05592	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.4
59.01384	100.0
61.98868	1.7
71.01376	41.2
71.01717	2.1
72.99321	2.9
73.02953	1.6
78.95922	1.5
83.37074	1.5
85.02953	3.5
87.00890	8.3
89.02444	45.9
96.39938	1.6
96.96032	2.3
99.00906	1.7
101.02459	6.2
102.05875	1.5
103.92018	5.2
113.02439	8.9
119.03515	7.7
125.02447	1.7
136.93063	1.6
136.94035	8.3
157.97804	1.9
161.04572	6.2
172.57135	1.5
178.95049	6.7
179.05595	24.3
203.09244	5.8
239.16515	1.7
256.62158	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	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.62322	1.0
55.14399	1.0
59.01399	5.1
61.26830	1.0
62.93131	1.0
63.00734	1.1
69.01997	1.0
77.85184	1.0
78.81030	1.3
82.94427	1.0
88.69416	0.9
99.49568	1.0
114.27508	1.1
114.75133	1.0
139.11298	1.7
141.57961	1.0
149.23555	1.1
151.11287	1.6
165.12854	2.6
167.14418	18.1
195.13927	100.0
196.92320	1.0
239.12912	66.8
252.63814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23927	0.2
70.05835	0.2
73.25500	0.2
77.75120	0.2
78.95904	0.3
80.09773	0.2
81.95520	0.2
84.92040	0.2
96.96009	4.5
117.61528	0.2
119.03362	0.2
119.93772	0.4
134.96091	13.7
136.94012	83.2
137.94073	1.1
151.92720	6.8
155.05847	0.2
175.20563	0.2
178.95071	100.0
179.95190	1.2
196.96069	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	238.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86067	0.5
56.50217	0.5
59.01385	19.9
59.40097	0.6
62.61856	0.5
71.01382	1.2
78.95904	100.0
82.43320	0.5
83.02557	0.5
85.02973	0.9
87.00856	4.5
89.02438	0.8
96.96030	1.3
96.96940	0.7
99.50401	0.6
99.92271	0.6
101.02459	0.6
120.07438	0.6
134.96086	6.7
134.97064	3.3
136.93999	31.2
136.94975	14.1
151.92747	1.1
160.20695	0.7
161.04523	2.5
178.94887	20.0
178.96028	51.1
179.05634	13.0
196.97157	9.0
220.97156	1.1
251.28539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40918	1.5
59.01388	11.5
75.64552	1.5
78.27766	1.7
81.07090	2.3
83.05063	3.6
85.02967	1.6
109.06605	1.8
111.08183	3.6
114.89525	1.9
165.09218	3.2
175.14909	27.4
178.09605	4.4
189.12709	2.0
191.14452	9.5
193.12070	3.7
193.15996	100.0
197.39838	1.9
209.15498	2.4
219.13893	8.0
237.11153	14.6
237.14940	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1863
Annotation	clovanediol
Peak:m/z	Relative Intensity
57.03462	8.4
59.01388	25.3
61.98811	5.3
70.64977	1.2
71.01394	1.5
71.05045	6.4
85.02976	1.8
98.41991	1.5
98.74471	1.4
99.04504	2.9
121.02858	1.6
137.96909	1.7
149.09714	2.7
151.11217	1.9
156.66241	1.6
165.12837	3.5
179.10767	2.6
191.14412	7.5
193.16023	27.6
207.17534	6.9
209.19092	3.7
219.14154	3.1
219.17572	100.0
219.19708	3.4
230.89955	1.8
237.14902	9.3
237.18648	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1863
Annotation	clovanediol
Peak:m/z	Relative Intensity
50.17966	1.7
52.40098	1.7
52.67727	1.7
52.79670	1.9
57.03465	12.2
59.01385	40.8
61.98845	10.4
66.46400	2.0
69.69332	1.8
71.01395	2.3
71.05031	4.5
75.91499	2.6
76.22867	2.2
83.05048	2.5
91.60615	1.9
99.04546	3.2
109.06570	2.6
122.92014	2.3
123.04614	2.2
127.26033	2.6
129.01962	2.7
149.09764	4.3
151.11314	2.8
165.12770	3.8
175.11259	4.3
175.14957	4.2
179.10776	3.4
191.14386	9.1
193.16019	33.9
194.98204	4.1
207.17519	3.2
209.19186	3.6
219.14030	3.7
219.17569	100.0
237.11349	2.3
237.14935	12.1
237.18588	22.8
248.51854	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	237.1497
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.08937	0.6
57.03482	1.0
59.01384	2.8
69.03463	1.5
69.47629	0.6
83.05043	2.9
98.98642	0.7
106.11063	0.7
112.47218	0.7
129.79868	0.7
151.11237	0.7
153.12909	2.6
159.11794	0.9
175.14922	100.0
176.15268	1.0
179.10770	12.2
191.14474	3.8
193.15988	12.3
214.65477	0.7
219.13988	2.9
237.14981	32.8
238.15399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.09070	0.4
59.01394	0.7
70.40276	0.5
71.21719	0.6
83.05036	2.4
175.14923	100.0
176.15268	1.0
177.12860	1.0
179.53728	0.5
191.14409	2.6
193.14236	1.0
193.15990	26.2
219.13884	2.3
223.94199	0.6
237.14903	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	237.1497
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
56.55468	0.6
57.35104	0.5
69.03452	5.6
76.57478	0.7
109.06576	0.8
135.08167	10.2
137.09767	1.4
139.28230	0.7
149.09727	2.7
151.11293	3.4
152.23097	0.8
177.12848	15.7
191.14473	4.7
193.15991	100.0
194.16318	1.2
201.29486	0.7
237.14989	25.8
256.38629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.1
61.41024	1.5
62.40560	1.3
64.34399	1.4
81.89437	1.5
83.05031	2.9
83.11018	1.3
84.05582	1.4
84.12370	1.5
97.06596	5.7
105.96092	1.4
107.61729	1.3
165.12878	1.7
175.14960	2.6
189.70152	1.4
190.37234	1.4
193.14233	3.4
193.15997	87.8
237.15002	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	237.1498
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
51.46962	0.5
55.01907	0.6
57.03460	3.8
59.01382	4.7
62.69757	0.5
69.03467	3.0
78.63523	0.6
79.78613	0.5
85.02979	0.6
97.06589	9.9
111.08208	0.7
123.08126	1.1
123.77252	0.6
137.09723	0.7
139.11292	3.2
149.00943	0.6
149.09727	1.1
150.50838	0.6
151.11328	2.5
154.85765	0.6
165.12840	2.4
167.14426	2.9
177.12936	0.7
191.14368	5.0
193.12253	0.8
193.16040	4.9
194.58057	0.6
195.13925	11.7
203.14455	1.1
209.15485	11.7
219.13925	5.7
219.17529	1.1
221.15578	0.7
237.14989	100.0
237.18773	2.7
238.15297	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	237.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27432	13.0
54.61407	13.5
59.01394	100.0
59.12037	14.1
59.75348	15.4
60.72396	14.7
71.01412	18.8
73.37700	17.4
84.45114	14.0
96.96051	21.7
115.00398	18.3
116.92892	83.2
120.99683	23.7
124.92333	16.2
139.00395	21.8
152.56375	16.8
201.07739	23.4
237.07716	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	Sporothriolide
Peak:m/z	Relative Intensity
54.18482	0.8
54.82485	0.8
57.03458	1.7
57.80344	0.7
59.01381	3.9
68.99817	1.7
69.03452	5.0
71.01377	1.8
82.91489	0.9
83.05022	1.6
85.06586	1.0
88.39323	0.8
95.04984	1.3
97.02927	9.2
107.05027	1.0
108.02151	4.7
122.03719	12.4
123.04507	1.8
123.08174	1.3
124.05242	1.1
135.04495	17.3
139.11308	3.6
149.06136	1.2
149.09657	1.5
150.06882	1.1
151.07588	1.1
152.97182	1.0
161.02420	4.1
163.11301	1.8
175.11279	5.9
177.09215	1.1
178.09959	21.8
179.10703	1.6
191.10713	1.1
192.11548	3.7
193.12326	100.0
201.11276	1.7
219.13875	2.1
222.08946	37.8
237.11348	9.1
237.14844	1.2
256.61838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
50.84818	0.5
51.50303	0.6
52.56336	0.5
57.37994	0.5
57.66035	0.6
59.01392	0.8
61.30416	0.5
72.92892	0.6
79.95412	0.7
106.04276	0.8
111.00907	0.6
121.02959	1.6
133.02940	6.8
134.03752	100.0
135.04077	0.9
137.02455	16.7
139.04024	5.3
147.99846	0.9
149.00653	1.1
149.02472	0.8
149.06093	15.8
150.03214	1.5
155.60196	0.6
178.01157	1.5
178.02736	46.0
192.99695	3.0
193.05070	11.9
222.01729	9.3
222.06609	0.8
237.04080	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1705
Annotation	cis-Bejarol
Peak:m/z	Relative Intensity
54.82326	4.5
55.01887	4.5
57.03467	5.6
59.01386	90.6
61.98853	7.8
68.73885	3.8
71.05023	5.8
71.14387	4.0
81.03455	8.0
83.05031	22.8
97.06581	34.1
123.08147	5.5
136.05379	5.8
151.07666	43.6
163.11308	10.3
165.12851	100.0
219.75385	4.9
235.13513	7.7
235.17017	65.0
236.64029	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	235.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	9.1
61.98824	1.6
68.18141	1.0
85.44440	1.1
140.43359	1.1
165.12845	1.6
186.23106	1.1
189.09581	1.2
235.17055	100.0
236.17430	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	235.1703
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
59.01381	22.3
61.98826	3.9
78.83723	3.8
82.38293	4.2
85.58008	4.7
95.17411	3.6
98.89781	3.7
107.21081	3.6
141.26830	4.0
199.85234	5.7
235.13373	4.9
235.17064	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	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06839	1.2
57.03440	1.7
59.01396	3.0
81.23968	1.5
90.73520	1.4
102.40083	1.5
148.05270	12.8
175.14946	2.7
177.09218	67.3
192.11588	46.9
192.14684	13.6
193.16016	2.4
217.08725	3.1
218.09509	6.7
221.52448	1.5
226.05550	1.5
236.10567	100.0
236.13692	7.6
243.28409	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	235.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32989	2.8
50.51722	2.9
50.77028	2.7
57.03489	3.8
59.01389	97.7
59.01688	3.5
61.98841	7.3
64.34374	3.7
65.70040	3.0
81.58453	2.9
83.67400	3.3
148.93903	4.2
149.09778	4.9
163.11261	4.6
175.14885	5.2
191.14429	90.8
207.95331	4.2
217.15959	57.4
234.25519	3.4
235.13484	11.2
235.17088	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	235.1704
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.36621	3.3
57.03453	46.8
57.16983	3.5
59.01385	100.0
59.58998	4.0
61.50010	4.0
62.94864	4.0
69.03472	7.5
73.02955	15.9
79.02086	4.6
83.05043	29.0
97.06590	22.5
100.85490	4.2
105.95666	4.0
139.11296	19.4
155.15724	4.0
163.11330	4.6
191.14397	29.9
193.15993	84.9
207.13904	5.1
217.15988	34.4
235.13391	83.2
235.16997	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06748	1.3
59.01396	9.9
70.79976	1.4
123.08166	9.8
132.61209	1.2
134.07370	2.7
137.09729	2.1
145.51768	1.3
149.09726	39.3
159.02156	1.4
165.12845	100.0
166.13133	1.3
180.30782	1.3
209.54022	1.3
217.12476	2.5
235.13399	14.1
235.16960	10.1
245.85846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.4
76.88998	0.3
78.04444	0.4
87.64371	0.3
89.58984	0.3
92.10790	0.7
97.88540	0.3
102.40924	0.4
145.11572	0.4
155.33586	0.4
234.14972	0.3
235.17050	100.0
236.17319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76260	1.3
53.38995	1.3
57.03460	2.0
59.01383	100.0
60.01721	1.3
61.98826	2.9
67.65319	1.5
77.71405	1.5
148.93884	2.5
149.09737	2.8
150.17612	1.6
163.11275	3.5
165.84305	2.0
175.11261	2.3
175.14909	7.1
189.12811	2.9
191.14427	80.3
202.19434	1.7
217.15988	45.0
234.97395	2.3
235.13336	7.6
235.17053	93.0
236.17308	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	235.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33805	0.5
57.30439	0.5
59.01385	4.2
59.54789	0.6
61.40018	0.5
62.82017	0.5
63.70248	0.6
65.91032	0.5
71.01400	0.6
92.97130	0.6
115.51260	0.5
165.49191	0.6
217.16032	0.8
235.17064	100.0
236.17393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.134
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
57.03456	1.3
58.27102	0.6
59.01393	3.3
70.56659	0.5
75.02351	0.5
81.07150	0.6
83.01326	0.6
97.06602	1.0
98.21328	0.6
123.08154	0.8
136.05295	13.7
137.02502	0.8
139.04041	0.8
141.19427	0.6
149.06094	1.4
150.03221	0.7
151.00748	0.7
151.04030	9.0
151.11263	3.3
152.04744	0.7
164.08430	0.9
165.05579	2.6
165.83784	0.6
173.13457	0.9
175.11205	0.8
179.07144	2.9
185.62050	0.7
191.14432	28.9
192.07901	6.8
196.07327	1.5
217.12239	0.9
219.06921	2.4
235.13420	100.0
236.13748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98513	1.5
54.39646	1.3
57.03453	44.1
57.03712	2.4
59.01387	65.0
60.40160	1.4
65.48103	1.6
70.55636	1.6
73.02959	2.0
95.05037	2.0
96.74935	1.6
96.95986	12.5
107.05066	3.3
108.02236	2.0
109.73148	1.9
121.06603	2.4
122.03735	41.4
123.08138	2.1
134.03778	2.6
135.04530	30.6
137.09738	1.9
147.11852	2.0
148.93927	2.6
149.06075	3.0
149.09688	5.8
150.06857	10.2
163.07608	3.2
164.08441	9.1
165.09225	100.0
173.05936	2.9
175.30957	1.9
177.09218	40.0
178.10027	3.2
189.12859	3.5
191.14461	2.1
192.07933	19.2
193.12411	14.1
193.13922	1.8
199.11292	2.2
217.12445	13.3
220.11179	13.8
235.09822	7.7
235.13431	97.1
238.76282	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	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
59.01379	4.8
75.37276	0.6
82.02751	0.6
92.10678	0.9
95.51341	0.7
120.05818	2.7
133.06549	1.1
135.08182	3.3
159.08174	1.4
163.11339	9.9
187.07626	10.4
189.09230	1.0
202.41032	0.6
203.14444	20.3
215.14471	1.4
231.13914	81.4
233.15488	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	233.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32385	0.6
57.03466	0.6
59.01384	9.9
89.61944	0.5
99.04518	0.7
112.64047	0.6
135.08125	0.8
163.11322	0.8
188.98508	0.8
218.54735	0.5
220.08730	0.6
228.08598	0.5
233.15475	100.0
234.15875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35583	0.8
55.20726	1.0
56.50426	0.9
57.03456	48.8
59.01098	1.9
59.01381	23.1
64.52961	1.0
73.02966	1.2
74.70306	0.9
83.97120	1.1
94.66055	1.0
122.03744	55.3
134.03732	1.8
135.04532	32.7
137.09659	1.2
149.06096	5.3
149.09714	2.3
150.06891	12.6
151.07690	1.3
163.07635	5.1
164.08438	12.3
165.09222	100.0
166.09341	1.1
174.06964	1.8
177.09242	31.7
178.10002	5.6
179.07069	1.8
179.89986	1.1
191.10806	1.7
191.14403	1.5
192.07973	28.1
193.12369	14.5
217.12572	3.3
220.11057	10.5
235.13417	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43265	1.7
56.80054	1.4
59.01394	31.4
62.57345	1.3
68.42735	1.8
69.86016	1.4
93.03479	2.3
111.04556	1.8
141.61540	1.9
144.34528	1.7
147.08200	6.5
149.09813	2.2
161.09801	13.4
163.11301	100.0
173.04614	2.6
183.63171	1.5
215.14336	2.1
233.07935	1.9
233.15514	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63024	3.2
55.61029	3.2
57.98522	4.5
59.01385	100.0
59.01648	4.5
59.78347	3.6
67.01886	4.5
71.01402	5.8
72.20739	3.7
93.03459	6.9
135.08133	14.5
135.34264	3.8
147.08266	5.4
161.09746	4.8
163.11325	81.5
173.04585	6.7
233.15469	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47110	0.8
66.60489	0.8
85.06594	23.3
85.95750	1.0
107.05076	1.5
110.88814	1.0
120.05828	14.5
133.06551	1.4
135.08173	100.0
147.08159	7.6
152.04791	7.0
233.15495	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1547
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
53.79559	0.3
59.01384	8.6
85.64923	0.4
109.19157	0.3
113.91904	0.4
120.05746	0.4
123.00761	0.4
135.08167	2.3
144.93513	0.4
147.08180	2.2
163.11301	3.5
173.04597	0.4
175.11288	100.0
176.11604	0.7
188.31673	0.4
233.15483	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	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.7
59.01386	5.3
59.42102	1.9
62.62709	2.2
83.05047	4.4
95.05003	3.8
101.42215	2.6
103.09061	2.7
103.20402	2.6
107.05041	4.1
107.08694	2.8
120.05821	5.8
121.06602	31.2
145.10286	5.6
148.08984	3.2
162.10513	3.1
163.11301	100.0
194.69106	2.6
233.15460	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	233.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01381	10.3
72.24936	0.7
81.39917	0.8
93.03495	0.9
106.04236	1.3
107.05036	34.4
121.06567	6.0
133.06580	1.1
140.89552	0.8
147.08212	2.0
149.06084	18.5
163.11221	1.5
189.12921	1.1
209.51712	0.8
209.56398	1.0
215.14474	3.2
217.12413	6.5
233.15486	100.0
234.15833	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	233.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60798	0.8
57.03453	13.9
68.38035	0.9
82.30984	0.8
117.01442	1.0
120.05803	24.2
121.06580	1.2
133.06595	2.3
152.04816	6.7
163.11292	100.0
164.11584	1.1
175.11299	8.8
186.72340	1.0
203.43002	1.1
225.99406	1.0
233.15474	62.0
234.15854	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	233.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47328	1.5
55.01896	2.9
55.51917	1.5
57.03457	13.4
59.01385	48.6
65.25724	1.5
65.93273	1.6
67.01909	2.6
71.01385	49.9
73.02947	45.0
79.54282	2.0
81.03467	3.1
83.01395	12.1
83.05030	17.1
85.02974	3.7
93.03452	84.6
93.04010	3.6
94.95975	1.8
96.95982	4.4
98.95591	2.1
99.00868	35.0
99.04547	8.6
111.00890	15.0
111.04523	31.4
114.33031	1.8
115.06767	2.0
115.92097	3.2
122.35527	1.7
129.01930	16.4
135.49297	1.9
135.95255	1.9
137.02444	27.4
143.03506	1.9
155.03494	16.5
173.00793	2.2
173.04539	100.0
195.18661	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	233.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.8
57.03459	17.3
59.01394	100.0
67.01910	7.4
69.03470	2.6
71.01392	79.1
72.99314	7.7
73.02954	41.1
75.00872	17.0
81.03470	3.4
83.01381	12.7
83.05039	11.8
85.02969	11.8
87.00877	4.1
93.03452	72.3
93.04005	3.0
99.00878	50.7
99.04526	9.2
101.02473	2.8
101.06123	2.5
111.00907	24.0
111.04517	24.0
112.98808	12.5
115.00372	3.9
115.92082	3.1
117.01922	1.9
120.15070	1.7
129.01939	25.2
129.05600	2.4
135.02997	44.9
137.02466	23.6
143.03558	2.6
147.06682	8.7
155.03517	10.0
173.00929	2.4
173.04559	83.3
173.47432	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	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20371	0.9
55.83754	1.0
57.03464	1.8
59.01375	10.0
70.47596	1.1
85.12350	1.3
91.62103	1.1
93.03454	1.3
121.06580	1.8
147.08195	7.5
148.08989	1.3
149.09769	1.7
161.09700	14.7
163.11296	100.0
178.08621	1.4
189.09242	1.9
233.15495	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1548
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
57.03452	2.8
57.80580	2.1
59.01381	20.6
59.29442	1.9
60.20050	2.1
60.59135	2.1
61.21193	2.2
63.10165	2.2
79.05537	2.5
83.05025	3.8
107.05058	24.7
107.08690	4.3
108.05829	3.9
121.06630	10.6
133.45630	2.5
144.80014	3.0
145.10242	11.2
145.18916	2.9
147.08144	3.5
148.08969	17.5
160.33363	2.5
161.09731	5.8
163.11284	100.0
167.94730	2.4
233.11847	5.9
233.15506	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	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82851	0.4
55.27289	0.4
57.03471	0.6
59.01385	19.9
65.89303	0.4
89.99891	0.5
93.03449	2.7
116.12865	0.5
125.53230	0.5
135.01793	0.5
135.08176	0.7
163.07668	0.8
163.11311	2.2
171.08153	11.7
173.04483	0.8
175.07634	1.1
189.09297	5.2
191.07173	2.1
215.14423	12.1
217.12436	1.9
232.97549	0.7
233.15483	100.0
234.15872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16291	1.1
54.13382	0.8
55.01897	6.5
57.03451	16.7
58.00598	1.1
59.01386	100.0
59.77056	1.0
64.51434	1.1
67.01901	8.8
68.99835	1.9
71.01385	54.9
72.99331	2.2
73.02946	15.8
83.01384	15.6
83.05032	1.5
85.02958	9.8
87.00898	5.2
92.10156	2.3
93.03463	14.8
99.00885	40.9
99.04491	1.6
101.02465	6.8
104.52946	1.1
111.00897	26.1
111.04533	1.9
112.98817	31.3
113.02465	1.1
115.00359	1.7
124.98808	1.2
127.00391	1.3
127.04070	1.6
129.01968	20.0
137.02402	2.1
145.01459	10.5
155.03520	1.7
173.00984	7.9
173.04582	14.8
173.59422	1.5
181.53090	1.2
186.74606	1.2
224.36273	1.1
233.03072	2.0
233.06705	2.8
233.10342	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	231.1391
Annotation	6-Hydroxyprimnatrienone
Peak:m/z	Relative Intensity
55.01902	0.5
59.01396	0.8
63.81380	0.4
64.04980	0.4
80.25947	0.5
83.05035	29.8
85.06618	0.6
88.12726	0.4
89.07334	0.4
92.10167	1.2
97.06590	1.7
107.05030	2.9
111.08143	0.5
120.05809	13.2
133.06575	1.6
135.08168	100.0
136.08411	0.5
147.08189	15.1
151.34883	0.4
152.04796	6.3
161.09721	2.2
169.78734	0.4
188.31090	0.4
213.12997	0.6
231.13922	54.4
231.97676	0.4
232.14189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1392
Annotation	alantolactone
Peak:m/z	Relative Intensity
62.81642	0.7
65.05858	0.7
75.56095	0.9
92.10772	1.6
113.30011	0.9
121.06645	1.0
144.20625	1.0
167.92526	0.8
183.11772	7.5
185.13382	8.8
231.13918	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	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24839	0.7
58.02706	1.7
58.02979	32.9
58.77091	0.8
59.01382	16.8
60.16559	0.7
60.29049	0.8
71.01379	13.6
72.74390	0.8
75.00874	1.2
78.30023	0.8
80.29700	0.9
80.96514	1.9
85.58328	0.9
86.06097	0.9
87.92545	3.7
88.04036	100.0
96.04540	1.5
96.95373	1.5
96.96004	41.9
100.07749	1.0
102.05625	2.0
104.03514	1.8
104.56795	0.8
112.04038	1.3
114.02021	1.1
114.09299	0.9
115.00386	13.5
116.07152	7.7
117.05573	7.8
123.94630	1.6
124.03951	1.0
124.63087	0.9
130.05086	19.4
132.03026	7.8
142.05080	1.7
142.08691	1.4
144.04585	0.8
173.04521	1.0
174.04048	5.0
188.09293	7.9
195.32538	0.9
214.03517	1.2
214.07256	3.9
232.08273	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1393
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
56.44934	0.6
57.03455	26.9
59.01393	3.8
66.34317	0.7
69.40624	0.6
69.71257	0.6
77.75159	0.6
109.22623	0.6
111.08182	4.1
119.02026	0.7
120.05801	3.1
121.06599	2.5
123.85683	0.8
145.06586	2.7
146.07425	0.9
152.04831	1.4
161.09729	100.0
162.10135	1.0
163.16847	0.8
173.09705	18.9
188.08421	13.5
189.12956	1.3
231.10384	1.1
231.13940	39.5
234.58134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
92.10823	0.4
106.83095	0.3
131.03543	0.3
147.04565	0.5
160.05261	0.6
165.92651	0.3
171.04552	0.5
173.06073	6.4
174.06834	0.5
187.07655	18.0
188.08420	11.3
189.05597	3.4
203.07143	6.4
215.10796	2.5
216.11572	9.5
231.13916	100.0
232.14308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.9
58.45209	1.1
59.01392	6.1
59.48667	1.0
64.20414	1.2
71.24605	1.0
72.09052	1.2
72.99354	1.6
87.92559	1.9
93.92663	1.4
114.11387	1.2
119.08633	1.4
119.66922	1.2
120.56145	1.2
121.06589	10.0
123.94657	1.5
146.07372	18.2
159.08163	1.5
161.09726	100.0
173.09645	1.6
187.07832	1.6
189.12843	2.0
213.12944	1.5
214.80934	1.6
231.13885	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01383	1.8
73.01172	9.5
80.05069	2.2
80.96503	2.7
82.02991	3.1
96.04543	29.0
98.99098	7.0
108.04559	36.4
108.41556	1.2
114.00191	100.0
120.12343	1.1
141.80820	1.1
142.03322	95.5
142.94788	1.6
179.67502	1.5
186.02322	31.4
226.44577	1.3
230.01279	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0875
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
52.57040	1.8
53.11480	1.8
53.55604	1.7
54.82850	1.7
57.03461	7.5
59.01387	19.6
59.97528	1.9
64.34602	1.9
64.50915	1.9
71.05038	3.7
73.02952	10.5
76.57802	1.9
81.03454	3.2
81.07132	2.6
83.05056	4.5
84.38390	1.9
87.00887	9.0
87.04518	35.8
91.20389	1.7
93.03464	9.8
99.04517	21.4
109.06594	2.2
111.04527	7.6
120.78212	2.3
123.08207	2.6
124.09772	2.0
125.02437	4.4
125.09748	7.9
127.07674	27.0
143.07080	2.0
162.85115	2.0
169.08759	2.6
171.06746	4.0
187.09792	49.3
189.07733	11.3
231.08763	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
60.50690	0.4
64.21352	0.5
74.63220	0.5
79.25977	0.6
92.41959	0.5
98.00094	4.3
101.68940	0.7
108.43317	0.5
109.09880	0.5
124.34145	0.5
127.09071	0.5
150.17802	0.5
167.14384	3.0
185.15477	100.0
186.15877	1.1
206.00322	0.6
211.13475	8.7
229.14459	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
51.09137	0.3
59.01384	100.0
64.16197	0.3
76.38022	0.3
83.21157	0.3
90.94788	0.4
92.10081	0.4
101.06073	1.8
131.17166	0.3
139.11378	0.3
144.83109	0.3
229.14441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1082
Annotation	Piscrocin E
Peak:m/z	Relative Intensity
53.43394	0.9
57.03475	1.5
58.96972	1.0
59.01377	8.0
62.80833	1.0
72.99307	35.6
73.02959	1.5
75.00872	100.0
76.89616	1.1
81.03486	1.1
83.05022	11.6
87.00880	2.6
90.72855	1.1
95.05033	11.4
97.06598	7.3
108.15799	1.1
111.02779	2.1
119.19582	1.2
123.08147	2.8
139.07683	1.2
141.09241	4.6
153.01997	1.6
167.07106	2.1
169.05113	4.4
185.08176	4.5
229.05148	1.9
229.07327	12.2
229.10825	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03449	18.2
59.01381	7.9
67.99454	1.9
69.03465	6.3
71.01369	2.3
71.05010	29.0
77.61081	1.2
83.05041	1.8
84.02129	1.4
84.87725	1.3
85.06570	6.4
87.55036	1.4
90.88592	1.3
92.10183	4.1
96.32742	1.4
97.02830	1.8
97.06583	10.6
106.04275	5.6
107.04991	1.7
109.06580	17.6
111.08112	2.6
113.09719	43.8
113.10444	2.8
121.06573	22.5
123.08153	7.6
124.62753	1.3
125.09713	18.8
127.07664	2.0
137.09729	3.4
139.07620	21.5
139.11244	1.7
143.87230	1.4
155.10773	5.9
157.08698	68.3
163.11220	2.7
165.12830	100.0
169.08675	5.3
197.11906	2.0
209.11844	37.3
227.12808	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	227.1291
Annotation	Crocusatin H
Peak:m/z	Relative Intensity
51.65969	0.7
54.24960	0.7
59.01384	24.7
60.16318	0.8
63.57750	0.8
65.15942	0.8
69.03449	1.2
72.99323	3.8
73.02953	2.3
92.10036	2.0
97.06602	2.0
104.11722	0.9
111.08167	2.1
123.08202	1.5
137.09741	8.0
139.11292	38.8
149.09784	2.2
149.22095	1.0
151.11310	1.1
153.12869	17.8
155.14493	1.4
165.12872	15.6
167.10814	11.7
183.13911	100.0
184.14204	1.4
227.12933	27.9
227.20169	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
59.81782	1.2
65.03969	40.8
66.27734	1.4
69.03481	1.9
71.05034	2.0
71.11443	1.4
71.51034	1.5
81.03467	3.4
83.05025	17.0
87.04462	1.3
95.05047	11.3
109.06611	22.1
111.04642	1.6
111.08167	98.6
121.06617	2.5
123.04533	2.1
127.04021	2.7
139.07692	5.9
149.09714	3.1
165.12871	21.0
176.85658	1.5
183.13969	18.5
196.12317	1.5
197.07558	1.6
199.13455	1.4
209.11871	28.5
227.12933	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	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29247	1.4
56.58376	1.8
57.03449	7.8
65.03986	2.9
67.03019	1.5
83.05048	10.0
85.06583	48.0
86.33124	1.5
87.04543	8.4
89.34626	1.7
92.10704	2.5
95.05033	3.6
95.86843	1.4
97.06587	3.3
101.03953	1.6
102.17609	1.5
104.19675	1.7
109.06598	13.5
111.08140	30.5
111.08746	1.7
127.07723	1.6
139.07664	3.8
153.12868	5.9
155.14436	15.0
163.11292	3.7
163.92857	1.6
165.12845	100.0
169.12433	1.9
183.13852	14.2
209.11833	24.1
227.12930	45.6
229.78110	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	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.54445	1.1
57.03437	1.7
58.26930	1.1
59.01385	2.8
63.59865	1.0
69.03458	1.4
71.01388	1.4
83.05038	6.3
89.28664	1.3
95.04994	1.4
97.02963	1.9
98.00095	5.1
139.07697	1.5
165.12819	1.8
183.13905	100.0
200.67073	1.3
209.11897	10.6
227.12936	58.9
227.16396	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	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.05930	4.7
57.03454	49.1
57.70640	4.0
61.91027	5.9
69.03439	38.5
71.05002	40.7
77.44442	5.1
83.05034	23.4
92.10077	8.8
93.07085	19.2
95.24097	4.6
109.06615	28.6
110.83759	5.2
115.03988	18.4
127.07642	81.7
139.07616	7.0
148.09718	4.7
165.12799	12.0
227.12848	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	227.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20311	0.6
54.00383	0.5
55.58471	0.6
57.03448	0.8
58.98609	0.5
59.01366	1.2
69.03437	0.6
72.99297	100.0
75.00861	4.7
85.02937	0.7
87.31877	0.7
89.02415	0.6
97.02955	0.6
99.00874	5.4
109.06603	0.7
111.18177	0.8
113.06052	0.9
122.03712	1.0
138.06883	2.9
139.07645	5.6
139.11313	0.8
144.35683	0.7
151.07652	4.3
152.08426	4.8
153.09142	1.4
160.37689	0.6
165.09155	7.2
167.64902	0.6
197.82016	0.7
202.94872	0.6
209.08168	1.0
227.09232	39.7
236.09033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1079
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
50.98859	1.4
57.03464	2.1
59.01396	2.2
67.83394	1.5
71.01382	2.1
80.44788	1.8
83.01385	2.0
118.68327	1.4
119.62408	1.6
120.40392	1.7
157.06604	6.7
183.11795	100.0
184.12117	2.2
209.11710	2.5
227.10835	37.1
227.12932	2.6
227.20181	8.0
237.58788	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	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
77.56734	0.5
83.05070	0.5
97.94038	0.5
101.78232	0.5
103.70061	0.5
109.02973	14.8
123.04540	0.7
129.24438	0.5
137.02460	64.6
139.07639	0.7
151.04013	5.5
166.91295	0.5
179.03520	100.0
180.03885	0.7
193.05043	0.8
194.05867	66.0
195.06125	0.6
209.08255	15.3
227.20134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
77.56734	0.5
83.05070	0.5
97.94038	0.5
101.78232	0.5
103.70061	0.5
109.02973	14.8
123.04540	0.7
129.24438	0.5
137.02460	64.6
139.07639	0.7
151.04013	5.5
166.91295	0.5
179.03520	100.0
180.03885	0.7
193.05043	0.8
194.05867	66.0
195.06125	0.6
209.08255	15.3
227.20134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	23.2
57.03449	43.9
59.01384	2.6
69.03454	51.3
69.03808	3.3
71.01382	2.7
71.05017	48.2
77.11736	2.4
81.03471	4.5
83.05029	42.7
84.02174	2.6
85.13323	2.4
95.05015	35.7
99.00894	17.4
99.08184	2.4
104.43619	2.4
107.05032	3.7
109.06596	32.3
112.98815	2.8
127.07647	100.0
139.07578	3.5
165.09224	4.9
178.05797	2.3
183.10214	2.4
226.07127	2.3
227.09239	13.3
227.20189	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.01902	4.1
57.03462	29.6
59.01392	28.1
61.98837	5.8
62.69042	3.2
64.24142	3.1
65.43952	3.2
66.01995	3.3
69.03471	9.0
69.26896	4.1
71.01373	3.8
71.05032	6.8
71.83185	3.6
85.02979	5.7
89.02472	5.0
89.29235	4.1
92.44409	4.0
93.03460	4.7
111.08156	15.8
121.92213	4.6
125.09699	3.8
142.12074	3.7
181.12392	4.7
183.10431	3.6
207.13850	4.8
225.11365	15.0
225.15001	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	225.1498
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.49767	0.7
53.35586	0.9
59.01385	100.0
61.98845	1.6
81.03447	0.9
90.12914	0.9
95.57261	0.9
97.06596	1.1
111.08178	6.4
133.00124	0.9
165.12842	1.9
181.12370	3.5
181.15974	6.8
225.15002	65.9
242.76830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1499
Annotation	MKN-003C
Peak:m/z	Relative Intensity
57.16956	0.9
59.01385	100.0
63.76593	0.7
89.02540	0.8
111.08170	2.2
153.34805	0.8
161.98456	0.9
165.12790	1.7
181.12442	1.1
181.15996	6.2
225.14990	64.2
238.24246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1499
Annotation	MKN-003C
Peak:m/z	Relative Intensity
59.01385	67.9
63.89820	1.1
70.99128	1.1
71.01392	6.5
111.08143	8.3
130.09560	1.1
137.08710	1.6
137.09698	16.8
151.11298	1.8
153.12860	44.4
165.12840	4.9
179.14380	5.1
181.16002	16.3
225.14992	100.0
226.15321	1.8
233.53618	1.1
238.38112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69392	1.7
55.73029	1.8
59.01389	87.2
61.17733	1.7
63.83133	1.7
71.01402	12.1
73.45232	1.7
90.58023	2.1
109.06625	1.8
111.08163	3.8
137.09724	12.8
148.46330	1.9
151.11267	2.4
153.12859	38.9
165.12839	4.5
173.37869	1.9
179.14369	3.7
181.12317	2.0
181.16026	16.1
202.86153	1.8
218.08565	1.9
225.14995	100.0
234.67363	2.0
240.39752	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	225.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	66.4
61.98835	1.7
66.39977	0.9
71.01379	7.9
95.23919	1.1
111.08169	12.4
111.58029	1.0
115.70734	1.0
125.09719	1.3
126.63851	1.0
126.71967	1.0
128.55634	1.1
137.09702	16.5
151.11314	5.7
153.12856	39.8
154.13344	1.5
163.11388	1.1
165.12836	5.0
179.14349	7.4
181.15987	18.8
225.14993	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	225.113
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
54.06348	1.1
57.03445	9.3
59.01385	2.2
61.95440	1.1
65.07014	1.2
71.01403	1.6
83.05046	6.1
85.06611	1.6
89.02445	1.8
95.05042	1.6
107.05016	1.2
109.06603	8.0
111.08150	17.9
123.04509	1.6
125.09714	5.0
137.06174	2.5
137.09763	1.5
138.06859	100.0
139.11282	2.6
151.11343	2.0
153.12878	1.3
155.07104	2.1
163.11314	10.6
164.85698	1.4
166.09984	15.7
181.12314	23.9
182.05844	1.5
207.10233	2.7
208.44855	1.2
225.11322	44.1
248.31146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.07686	0.8
54.61589	0.7
55.01889	1.1
57.03455	1.9
59.01382	7.1
60.67543	0.9
71.01387	1.0
77.95911	1.0
80.91707	1.1
81.03468	6.7
83.05026	100.0
84.02190	1.2
85.06604	13.7
87.85902	1.1
97.02976	5.1
97.06576	2.1
97.25188	0.9
109.06599	18.1
110.03739	2.2
111.08189	2.2
123.04516	1.7
123.08215	1.1
135.08159	1.5
136.05299	1.1
137.06088	1.7
138.06876	26.7
139.11275	1.4
141.05611	5.3
142.02721	2.4
153.12828	2.1
161.09692	1.4
163.11296	16.4
181.12361	21.2
207.10294	36.0
225.11369	45.4
225.14954	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	225.1134
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01885	15.3
57.03450	0.9
59.01367	2.0
62.92570	0.6
68.23579	0.6
69.03449	6.4
71.05027	5.9
77.70752	0.6
79.78125	0.7
81.03476	1.2
83.05031	1.3
92.10160	1.3
95.04987	0.8
97.02938	1.1
97.06598	0.8
99.93247	0.7
109.06587	2.7
111.08163	100.0
112.08519	0.7
125.06095	13.6
128.69571	0.7
138.06866	3.5
152.08498	1.0
163.11308	3.9
181.12367	32.9
182.81996	0.7
209.64021	0.6
225.11313	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	225.1134
Annotation	Cladospolide D
Peak:m/z	Relative Intensity
55.05414	2.4
55.18015	2.5
56.21330	2.1
57.03460	72.9
59.01404	12.8
62.66171	2.4
69.03457	41.9
69.97014	2.8
71.01398	3.5
71.05028	6.3
81.03444	2.9
83.05020	38.0
85.02940	26.7
90.34575	2.9
93.07104	12.1
95.05032	3.5
97.06629	3.4
109.06650	6.8
110.09998	2.9
110.40939	3.6
111.08141	35.7
113.02477	4.6
113.06090	16.3
123.08134	3.6
126.62347	2.4
131.82581	3.1
137.06154	4.0
163.11296	14.3
181.12334	16.7
225.11336	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	225.1135
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.24031	0.4
57.03462	2.6
59.01392	2.2
71.05038	0.5
72.99278	0.5
92.10782	0.5
109.06612	1.0
110.76343	0.5
111.08168	6.6
123.08169	0.7
134.24194	0.5
138.06891	0.9
139.11334	0.8
147.11812	1.8
155.07153	0.9
165.09235	5.4
181.12352	100.0
182.12631	0.5
183.10278	2.3
191.10872	1.7
220.79164	0.5
225.11351	33.3
225.14944	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55639	0.5
52.28677	0.5
55.01899	17.2
57.03468	1.1
57.12483	0.6
57.98770	0.6
59.01405	1.4
69.03466	7.4
71.05029	4.0
79.05533	1.0
81.03493	1.2
83.05044	3.2
89.02480	0.7
95.05030	1.0
97.06604	0.8
109.06604	3.7
110.03752	1.0
111.08162	100.0
125.06080	16.0
153.89168	0.7
163.11305	1.7
164.08388	0.7
181.12357	31.6
225.11288	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	225.0766
Annotation	Eutypellin B
Peak:m/z	Relative Intensity
54.03225	1.1
67.05523	19.7
69.03455	45.1
81.20580	1.3
92.10166	2.9
107.29520	1.4
109.06569	2.8
110.03764	3.2
111.04515	100.0
113.02431	16.6
113.15915	1.4
119.08612	13.4
137.09712	3.4
181.07298	1.9
181.08713	31.8
225.07765	9.8
242.56091	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	225.1135
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01895	1.5
56.83715	1.4
57.03451	12.9
59.01373	1.7
62.23041	1.4
69.03457	19.3
71.01385	2.6
71.05018	3.4
73.40790	1.7
77.84226	1.5
79.97041	1.7
81.04001	1.6
83.05090	3.5
93.03448	2.1
95.05035	2.7
97.03003	2.3
97.06587	4.0
109.06632	2.1
111.04545	2.1
111.08187	11.3
113.02456	100.0
114.03270	2.3
114.39027	1.9
121.06600	8.6
123.08187	2.1
132.80539	2.1
137.09746	3.7
139.11298	2.8
146.02202	6.9
163.11284	19.4
181.12384	11.9
183.10281	4.4
186.70969	2.0
207.10281	4.0
211.16968	1.7
225.11362	46.8
225.14847	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	225.1134
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
67.85259	2.7
71.93182	3.1
95.05025	3.3
104.09087	3.6
111.08186	4.1
153.09195	4.3
163.11296	16.8
181.12370	100.0
205.61153	3.6
225.11333	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84251	1.5
57.03466	2.4
58.00603	100.0
59.01390	45.8
72.02171	4.7
73.02955	7.8
109.06632	3.9
113.06096	2.3
138.43594	2.6
151.11275	1.9
179.14510	7.9
181.12395	3.6
184.85266	2.2
193.01978	2.0
205.15921	16.1
215.54597	2.5
223.13661	16.3
223.17049	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1705
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
54.82965	0.7
55.03553	0.6
59.01385	54.9
60.01729	0.8
61.98829	5.4
75.00869	0.9
79.32136	0.7
92.10191	1.1
101.02403	1.2
119.77247	0.7
135.98528	0.8
141.01697	13.2
166.55907	0.7
179.14485	0.8
189.58519	0.7
202.90038	0.8
223.13503	3.9
223.17055	100.0
224.17487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46671	0.5
59.01386	82.6
59.82654	0.4
60.01718	0.5
61.98837	1.1
64.35330	0.6
68.99831	2.0
114.40651	0.6
121.02926	0.6
141.01712	23.3
146.81731	0.5
160.40788	0.5
163.06180	0.6
164.83658	0.7
166.06355	0.8
205.47510	0.6
211.44505	0.6
223.13455	4.3
223.17064	100.0
224.17351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54897	3.4
57.92768	4.1
58.00601	100.0
59.01385	82.1
64.50272	4.6
70.34173	4.2
73.02950	42.7
104.95029	4.8
121.60555	4.2
141.01714	10.3
162.88490	4.9
179.14429	33.0
195.13908	9.2
205.16006	16.9
223.13565	31.4
223.17044	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34035	1.0
57.03467	1.9
57.69255	1.0
58.00611	5.9
59.01386	100.0
61.98842	1.6
71.01393	5.2
74.66892	1.0
78.96319	1.0
91.58559	1.1
91.59214	1.3
97.06576	1.5
97.14841	1.1
106.50595	1.1
109.06599	6.5
120.47903	1.0
137.09756	1.2
141.01689	12.3
151.11304	29.1
160.37526	1.1
163.06169	1.7
163.11319	6.0
177.12781	1.1
179.14417	34.2
205.12355	21.9
205.16089	1.7
223.13431	62.3
223.17085	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	223.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	8.7
58.00597	34.6
58.00853	1.7
59.01384	100.0
68.42391	1.3
69.03471	1.5
69.12574	1.3
69.53855	1.2
71.01400	2.7
71.05020	1.4
71.19579	1.0
73.02962	4.9
78.05116	1.2
83.05023	2.0
85.02950	1.6
85.06609	1.9
89.02455	1.2
92.10052	2.4
97.06587	5.8
104.31182	1.2
109.06596	2.4
109.70963	1.2
111.08186	2.2
123.08158	9.3
125.09715	1.3
137.09744	2.3
139.11298	5.7
141.01692	16.9
149.24005	1.3
151.11311	5.7
163.06171	1.5
165.01869	1.6
165.09097	1.4
179.10872	1.8
179.14415	18.6
181.12352	9.2
199.68509	1.2
203.14333	1.3
205.08641	1.9
205.12372	1.9
205.16040	5.9
208.03764	1.3
223.09976	2.0
223.13446	37.9
223.16989	36.4
242.37222	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
58.00602	6.3
59.01382	44.9
69.03459	2.0
72.02184	1.4
73.02968	4.8
76.57505	1.3
79.95403	1.1
82.80592	1.1
83.05015	4.2
107.18781	1.0
126.75996	1.0
135.08131	1.8
137.09709	6.6
141.01692	8.2
151.11247	1.5
163.06195	1.2
163.11351	1.9
166.06340	1.9
179.14415	100.0
180.01402	1.1
180.14772	1.4
195.13913	35.2
205.12326	1.5
223.13414	55.8
223.17014	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	223.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01385	100.0
71.01405	1.6
72.09636	1.2
97.06586	2.4
111.08165	9.1
125.09721	1.6
141.01768	1.9
151.11272	2.4
163.11298	7.8
165.09198	2.4
173.20082	1.4
179.14418	19.1
181.12344	2.3
195.10240	1.6
195.13933	11.1
195.22240	1.4
205.12289	1.9
221.65581	1.4
223.13422	60.8
223.16837	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.061
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
54.51532	1.2
58.84496	1.1
59.01369	14.2
60.17983	1.2
63.20347	1.2
75.65732	1.4
87.00877	24.6
91.05526	100.0
92.10126	1.4
101.67612	1.7
117.07086	24.2
119.05057	1.5
133.06577	37.9
134.61574	1.3
135.04527	9.1
153.13849	1.4
161.03944	1.5
161.06070	59.9
163.03992	88.4
179.07098	6.3
214.75047	1.7
223.06131	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.59435	1.5
59.01394	100.0
61.98833	1.7
69.03468	3.8
71.01382	1.6
77.76726	1.4
81.11900	1.5
83.05034	3.2
83.94424	1.6
84.19057	1.6
85.11873	1.4
109.06612	2.3
141.01704	25.4
151.04059	2.1
151.11302	1.7
166.06374	2.9
179.14420	76.1
195.13846	2.8
223.13428	68.7
223.16873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1549
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
51.05017	0.5
54.82722	0.5
59.01385	31.0
59.01688	1.1
70.07894	0.5
71.01385	0.5
73.02959	0.9
85.02963	1.4
85.44590	0.5
89.02461	0.8
92.33040	0.5
103.69354	0.6
104.06808	0.6
105.07461	0.5
110.11094	0.6
129.35019	0.5
161.04556	1.4
162.83891	2.4
165.36667	0.5
174.68518	0.6
219.15611	0.6
220.99702	0.8
221.15498	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09909	1.3
55.01896	9.6
57.03456	30.0
59.01384	18.2
60.42002	1.4
62.30721	1.2
64.46079	1.4
67.01927	2.2
67.84890	1.4
71.01395	17.7
72.99300	12.2
73.02957	2.0
75.00876	7.3
83.00976	1.4
83.01390	11.8
84.02168	1.6
85.02954	100.0
87.00912	3.4
99.00902	6.1
101.02467	9.5
111.00896	37.8
125.02464	5.8
127.28358	1.6
129.01950	33.3
131.11588	1.7
147.03038	8.4
185.30252	1.5
196.06917	1.8
205.03561	37.9
223.04631	41.5
224.34256	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	221.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82925	1.0
57.03447	2.1
59.01384	65.0
71.01397	1.6
73.02950	1.4
81.03455	15.6
85.02944	1.7
85.06586	8.1
99.08165	1.4
101.02423	1.3
107.05042	1.4
108.02175	73.1
109.06586	5.6
111.04545	6.5
111.08154	1.3
118.07133	1.3
119.58881	1.1
121.06604	2.8
122.03728	2.0
123.08183	15.5
130.39902	1.4
131.03494	2.1
137.06046	1.7
137.09746	1.7
139.07678	2.5
139.11325	2.6
142.21906	1.1
160.05099	1.2
161.04543	5.9
162.84026	1.6
174.35892	1.1
177.12825	1.5
179.14458	1.7
191.14398	15.7
193.15964	6.6
203.14450	5.2
221.11931	5.3
221.15491	100.0
226.69057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	31.8
59.01694	1.2
71.01399	0.6
73.14610	0.6
74.24894	0.6
83.01377	0.7
83.77232	0.6
85.02969	1.1
94.81918	0.7
101.02465	1.0
113.54365	0.7
116.73367	0.6
121.50509	0.6
127.07691	1.0
131.03481	0.6
149.05975	0.8
161.04591	1.3
164.08412	1.2
177.12875	4.3
180.01399	0.7
190.47131	0.7
205.12378	1.5
206.12785	0.9
220.14676	4.8
220.99669	1.1
221.11932	3.1
221.15494	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	221.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	31.1
58.31614	0.7
59.01385	100.0
66.59915	0.8
71.01386	3.8
71.05022	0.7
71.63935	0.8
73.02961	3.9
84.37829	0.8
85.02971	3.9
86.44630	0.8
89.02457	0.8
90.19891	0.9
101.02438	4.5
109.06577	1.3
113.02457	1.0
131.03459	1.2
136.10440	0.9
151.07674	1.0
151.11301	56.2
159.26759	0.8
161.04546	9.6
177.09222	4.6
187.56404	0.9
193.32799	0.9
206.06065	1.0
220.99797	1.0
221.08261	1.4
221.11917	3.2
221.15544	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	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
57.03460	1.4
59.01388	100.0
59.52498	0.9
71.01382	2.6
73.02960	2.4
81.03490	1.3
85.02966	2.4
97.00369	1.5
97.82659	1.1
101.02444	1.6
113.02451	1.2
117.52305	1.2
130.29727	1.1
131.03600	1.4
137.05692	1.2
137.09738	1.7
145.53275	1.2
151.11285	1.9
161.04575	8.6
162.83931	2.1
177.12860	5.7
177.70732	1.0
178.98518	1.4
203.14464	1.8
220.99634	1.9
221.11916	7.3
221.15511	69.9
222.15845	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	221.1548
Annotation	Kobusone
Peak:m/z	Relative Intensity
54.25145	1.0
54.82423	1.3
56.32897	1.0
56.81846	1.0
59.01385	100.0
71.01404	5.1
73.02952	2.6
79.14736	1.1
81.03471	1.3
83.01426	1.6
85.02953	2.0
92.10741	2.4
98.11158	1.2
101.02428	1.9
114.38123	1.2
131.03523	1.8
137.09723	2.5
149.09650	1.4
151.11302	5.8
161.04507	8.7
177.12877	9.9
178.98518	2.3
220.99477	1.6
221.11852	5.8
221.15501	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1184
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
52.57687	0.3
54.44173	0.3
57.19941	0.3
59.01384	37.8
71.01395	1.6
71.22843	0.3
73.02953	1.5
79.47269	0.3
81.03436	0.6
85.02965	1.4
89.02433	0.4
101.02449	0.7
109.06618	0.6
131.03514	0.6
135.08195	3.4
149.09763	0.6
150.56300	0.3
151.11293	7.6
154.58636	0.4
161.04558	2.1
162.10513	3.1
162.83929	0.8
175.11307	2.1
177.12852	100.0
178.13232	1.5
178.98515	1.4
184.12558	0.3
194.09477	5.1
203.10811	8.0
220.99640	0.6
221.11855	28.7
221.15289	6.5
222.12169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23419	0.5
54.40107	0.4
59.01384	19.2
68.58731	0.5
71.01421	0.6
71.71229	0.5
73.26675	0.5
75.18762	0.5
125.02471	1.1
133.06598	2.7
140.71274	0.5
161.04556	0.7
177.12859	100.0
178.13141	1.3
203.10889	0.8
221.11870	24.7
221.15285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43303	0.7
57.03456	30.5
59.01385	100.0
62.29192	0.8
69.03448	2.1
71.01395	2.1
71.05006	1.1
73.02613	0.8
73.02940	6.6
75.83646	0.8
81.03439	1.3
83.05040	5.5
85.02950	7.9
92.10759	1.0
93.07085	1.5
96.21681	0.9
97.02958	3.4
101.02453	3.8
104.83110	0.8
109.06574	1.7
113.02428	2.0
119.08666	1.4
123.04372	0.8
123.08171	7.7
131.03549	1.4
134.07381	2.0
135.08069	0.8
135.11806	2.1
137.09709	1.2
147.08170	3.4
147.46696	0.9
149.09796	1.5
151.11302	1.6
159.11728	3.0
161.04572	8.2
161.09731	1.0
162.83846	1.0
165.12820	1.4
175.11304	2.0
177.12862	15.3
203.14415	1.8
221.08421	1.4
221.11870	30.8
221.15367	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	221.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.4
58.04843	0.9
59.01385	100.0
67.17933	1.1
67.37918	1.1
69.03482	1.7
71.01375	2.6
71.05021	1.1
73.02964	6.6
81.03470	1.7
83.01389	1.3
83.77422	1.2
85.02961	5.1
97.02955	5.6
101.02451	2.5
108.02150	1.2
109.06580	1.3
110.03752	1.7
111.35275	1.1
113.02457	1.8
115.36548	1.1
122.03775	1.6
123.04525	2.1
125.06087	5.9
131.03467	2.2
137.06059	9.0
149.09738	1.4
151.11307	8.1
161.04622	8.8
162.84003	1.5
163.07542	1.3
163.11302	1.7
175.11267	1.3
176.42458	1.1
177.12849	4.3
178.98560	1.8
193.12328	2.5
203.14445	33.6
205.12373	2.6
206.13147	13.4
220.11057	1.4
220.99438	1.5
221.12143	8.3
221.15495	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03636	0.5
55.01890	4.6
55.80144	0.4
57.03450	3.9
58.00602	0.8
58.98856	0.5
59.01385	100.0
60.01723	0.8
60.50197	0.5
70.58739	0.5
71.01386	18.3
72.99323	0.7
73.02952	8.2
74.02481	0.7
75.00886	0.8
83.01386	5.5
85.02951	14.1
85.03452	0.6
89.02438	4.2
95.01357	0.6
96.95995	0.5
97.02936	0.6
99.00900	3.0
101.02444	18.4
113.02457	6.5
129.01945	2.9
131.03511	3.1
143.03499	0.6
159.03030	0.8
161.04549	10.4
221.10336	4.7
236.03609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0821
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
54.42264	0.7
57.03468	0.7
59.01384	49.0
59.48217	0.8
59.89824	0.6
71.01418	1.4
73.02966	1.8
85.02955	1.0
96.09814	0.8
107.05063	1.3
131.03531	1.1
144.05873	3.4
149.06065	6.1
159.08154	6.3
161.04556	4.7
177.09222	100.0
178.09528	1.4
178.98528	1.4
220.99570	1.2
221.08240	28.8
221.11810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83321	0.3
55.01892	3.4
57.03453	4.3
59.01384	100.0
60.55543	0.3
71.01381	15.5
72.99307	1.0
73.02940	9.5
74.02480	0.5
83.01404	4.9
85.02959	10.7
87.00888	1.0
89.02447	4.2
95.01339	0.5
97.02950	0.8
99.00892	1.0
101.02444	12.0
113.02451	4.4
129.01947	4.7
131.03510	2.8
131.58574	0.5
143.03439	0.8
147.04567	0.8
159.02919	0.5
159.19487	0.4
161.04556	10.5
221.10309	2.7
224.22963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13659	0.3
57.03459	3.5
59.01388	100.0
61.69422	0.3
69.03463	0.9
71.01381	8.0
72.99294	3.7
73.02938	4.5
75.00864	5.4
76.35496	0.4
81.03449	0.8
83.01382	2.0
85.02952	6.5
87.00880	2.2
87.04485	0.6
89.02441	4.4
92.10750	0.6
96.95992	0.5
97.02956	0.9
98.44249	0.4
99.00887	0.5
101.02420	2.8
103.00374	2.7
113.02441	1.7
125.02441	0.5
129.01930	15.8
131.03473	4.3
131.07104	0.5
133.01468	1.6
141.01970	0.7
143.03535	0.6
159.03000	0.6
161.04561	13.4
168.88634	0.4
179.03937	0.6
184.77202	0.4
203.01942	0.5
221.06622	0.5
234.67686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	0.3
63.63668	0.2
65.25717	0.1
71.37570	0.2
73.25498	0.2
81.61591	0.2
92.10734	0.4
98.95950	0.2
128.54579	0.2
132.63695	0.2
138.91768	0.2
166.89017	0.2
170.36137	0.2
204.86469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1392
Annotation	Glutinosone
Peak:m/z	Relative Intensity
50.28460	0.3
51.45853	0.3
59.01396	0.4
61.98832	0.6
66.31310	0.3
74.43626	0.3
84.02389	0.3
87.18941	0.3
92.10159	0.7
98.16718	0.3
101.38875	0.4
104.28384	0.3
122.72939	0.3
128.35025	0.4
174.06854	7.8
175.07645	4.7
219.13927	100.0
220.14259	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	219.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
59.01387	100.0
71.01382	0.4
71.05047	0.3
72.99325	0.5
73.02929	0.6
81.03454	3.3
83.01395	4.7
87.00879	0.7
92.10232	0.5
96.05189	0.3
96.96008	5.0
98.95600	3.1
99.04507	0.4
100.35939	0.3
101.02443	5.7
115.04005	0.7
123.04482	0.3
125.02438	8.0
141.05617	0.4
145.01459	3.1
157.08733	0.5
187.02585	0.4
189.07742	0.5
219.05080	0.6
219.08708	1.2
219.17586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1083
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
56.44998	0.4
57.03434	0.3
59.01389	14.5
71.01385	2.6
73.02946	9.6
83.05036	1.6
84.02185	0.8
85.02950	9.3
85.06588	10.2
85.07032	0.5
99.08137	0.6
99.15008	0.4
111.00897	1.7
127.07634	5.0
129.09200	2.5
137.09718	2.2
141.89597	0.4
153.09171	1.6
171.10286	9.8
173.08189	9.5
174.99211	3.3
175.09761	0.6
181.08687	0.4
199.06090	1.7
199.09821	3.4
217.00246	3.3
217.10828	100.0
217.23491	0.4
218.11162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34642	0.8
55.01900	1.7
56.39225	1.1
57.03471	4.2
59.01382	7.4
60.67594	1.0
67.01923	1.1
68.21860	0.9
69.03469	2.6
71.01397	7.3
71.55312	1.0
72.99326	1.8
73.02943	41.0
73.03343	1.4
75.94338	1.0
78.29341	0.9
78.87418	1.1
81.03470	2.5
83.01411	1.0
83.05026	16.5
83.05407	1.1
85.02950	7.8
87.00914	1.5
87.89336	1.1
93.03455	84.6
96.96077	1.2
97.02949	1.5
99.00875	12.5
99.04532	12.4
109.02969	1.8
111.00851	1.5
111.04517	33.0
111.05219	1.8
112.98842	5.3
125.02393	1.5
129.01947	11.2
137.02452	30.3
142.49069	1.2
143.03522	7.0
145.01515	1.1
155.03510	18.2
173.04559	100.0
215.96904	1.0
219.05136	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	217.1084
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.90131	0.3
55.01889	0.4
57.03451	2.4
59.01385	51.0
60.01729	0.4
71.01382	1.0
71.05016	1.9
72.99309	0.7
73.02943	1.8
75.00861	0.6
79.05512	0.6
79.95770	0.7
83.05038	0.9
85.02951	0.7
85.06616	0.4
88.04045	3.4
90.97137	0.6
92.10690	0.6
92.72611	0.4
93.03462	1.0
95.05020	8.3
96.96009	100.0
97.06583	2.9
97.95960	0.6
99.86929	0.4
101.02444	1.7
111.08131	0.4
113.06109	2.0
125.06101	0.6
132.98190	1.0
135.08186	1.0
137.02478	0.7
139.07616	0.5
140.44289	0.4
146.08235	2.0
155.10710	0.5
171.10327	0.8
174.99261	12.5
175.00656	0.8
189.75035	0.5
199.09782	3.6
216.90988	2.2
217.00349	11.6
217.07402	1.4
217.10844	57.4
218.98291	0.4
225.74435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19142	0.6
55.16390	0.5
59.01386	100.0
90.97174	0.6
94.94114	0.6
122.71583	0.6
132.98239	4.0
162.78168	0.6
163.09796	0.6
164.18246	0.7
172.66833	0.7
174.99255	27.2
183.64641	0.6
195.89035	0.7
216.98430	1.2
217.00343	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	217.0713
Annotation	7-Hydroxy eucommic acid
Peak:m/z	Relative Intensity
51.61482	1.1
54.82508	0.8
59.01382	18.6
63.25093	0.9
74.70171	0.8
74.87846	0.8
75.00887	0.8
85.02950	8.7
87.04501	3.8
89.31774	0.8
101.13315	0.8
111.00869	61.2
111.08142	8.7
112.01207	1.1
113.06090	1.2
122.21689	1.0
129.09196	100.0
130.09454	0.9
131.68741	0.8
143.44865	1.1
151.88589	1.0
155.07106	4.1
173.08180	10.9
173.75546	0.8
174.99188	4.0
175.09750	6.1
182.19821	0.9
199.06114	61.2
217.00169	1.0
217.07144	54.0
217.10609	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	216.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04837	2.8
53.16395	2.7
54.33042	3.1
54.61927	2.7
59.01390	16.6
71.01399	23.4
72.04552	27.2
73.70060	3.2
80.96517	4.5
81.02210	6.6
82.02985	96.4
84.00932	16.7
87.00889	6.3
88.04036	50.2
96.04559	38.9
96.96030	7.3
98.02485	80.6
100.04060	17.7
110.02470	17.7
111.04553	5.5
112.04069	20.0
126.01984	26.6
129.05518	5.1
134.41016	3.1
135.80339	3.6
140.03535	28.6
154.05142	19.8
156.03050	100.0
159.79851	3.3
170.04623	15.5
172.06203	4.5
176.34215	3.8
184.02510	27.0
184.81891	4.1
193.70100	3.4
198.04111	37.1
216.05159	25.3
217.03506	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	215.0929
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.83209	1.0
57.03465	52.2
59.01400	2.8
61.23101	1.0
63.33950	0.9
63.60493	1.1
66.86035	1.2
69.03461	2.8
72.99322	5.6
73.02969	2.3
73.53033	1.1
81.03484	1.4
83.05037	29.4
85.02960	45.0
85.06604	57.3
85.07103	2.4
87.04523	1.2
93.03441	1.2
95.05068	2.6
97.06612	11.1
100.30217	1.3
111.00889	40.5
111.20208	1.2
124.05367	1.6
125.09729	2.0
127.02731	1.1
127.11268	4.3
139.07637	1.3
153.09218	37.5
171.10284	97.4
182.17468	1.2
183.06638	36.0
197.08162	5.8
215.00871	1.6
215.09302	100.0
228.95706	1.2
237.17604	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	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.72060	0.5
58.70940	0.5
63.95779	0.5
67.34542	0.5
69.74551	0.5
71.33337	0.6
74.03398	0.6
83.05006	0.6
92.10170	0.6
95.09813	0.6
97.06592	1.0
111.08175	12.0
111.93977	0.5
137.09732	22.3
145.10248	0.6
151.11298	17.6
151.12466	0.8
153.12868	100.0
154.13188	1.3
171.13922	12.1
197.11855	11.6
215.12915	93.3
216.13208	1.4
225.20924	0.7
232.83075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0928
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
51.68043	2.3
51.88201	2.7
57.03454	41.0
58.00586	3.2
58.03725	3.3
58.70866	2.5
59.01395	4.0
69.03469	2.9
71.05023	3.9
72.99304	5.6
73.02973	6.9
75.29780	2.8
83.05028	35.9
85.02963	21.3
85.06596	23.1
89.37961	2.8
93.03488	17.1
95.05026	75.8
97.06590	3.0
98.34354	2.6
105.94011	3.0
111.00876	13.4
123.08144	5.5
135.08173	7.1
137.09776	3.3
141.09335	3.9
153.09265	36.3
171.10284	54.9
197.08252	14.8
215.01051	5.3
215.09306	100.0
233.19803	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	215.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	14.0
57.03469	2.9
59.01396	2.5
66.00848	1.3
69.03475	2.7
71.01353	1.9
79.95750	8.4
80.02685	3.1
80.96509	27.7
81.03452	10.8
83.05030	2.8
87.00902	7.1
89.02481	1.7
93.03480	3.2
95.02110	1.3
95.05042	8.3
97.02950	1.4
97.06585	100.0
98.06922	1.4
99.00887	5.1
99.04572	2.0
99.08154	2.0
107.05042	27.2
108.02178	5.6
109.06595	42.2
113.02427	1.7
115.04050	9.9
123.04516	48.7
125.06078	45.5
126.95298	9.7
127.07701	3.4
135.04527	42.8
141.05605	19.0
143.07140	2.7
151.04007	6.7
153.05568	11.2
155.03578	1.7
169.05087	17.6
170.90698	2.5
185.04469	1.7
187.06100	15.6
196.95934	5.3
197.04573	23.0
214.96910	15.5
215.01134	11.1
215.05539	11.1
215.07483	1.6
215.09262	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	213.15
Annotation	NFX-4
Peak:m/z	Relative Intensity
54.82963	0.9
56.83521	0.8
57.03462	1.1
59.01389	9.3
71.01396	1.1
71.05035	18.6
79.58440	0.9
83.05027	21.8
85.03030	0.8
99.08193	1.4
114.76629	0.9
125.09755	2.1
127.11310	1.4
151.11288	1.9
153.12857	10.3
167.14433	2.0
169.16005	15.0
195.13937	1.2
198.19196	0.9
198.82542	0.9
213.14996	100.0
214.15405	1.1
215.68375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	NFX-4
Peak:m/z	Relative Intensity
55.01896	2.2
57.03462	11.6
59.01384	8.6
61.98838	1.5
62.24491	1.2
64.96182	0.9
83.05041	4.7
83.78942	1.1
87.26922	1.1
90.28912	1.1
92.10823	2.0
97.02972	1.3
99.08164	1.1
103.17742	1.2
119.35223	1.0
141.12866	16.6
165.12837	1.9
167.14445	17.6
169.15997	51.9
177.90308	2.4
207.79567	1.2
213.13074	4.6
213.14993	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.40395	1.0
54.82845	1.0
56.88140	0.8
57.03439	1.0
57.62675	1.0
59.01385	15.4
67.15833	0.9
67.95129	0.9
71.01377	2.4
71.05027	2.4
72.36166	1.1
82.87997	0.9
83.05064	1.2
87.04515	4.2
97.25723	1.0
115.04017	15.2
120.37874	1.1
139.11285	7.0
157.20172	1.2
167.14464	8.4
167.29974	1.0
177.12846	5.1
195.13927	18.3
211.13370	2.0
213.15004	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	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04332	0.4
59.01384	100.0
76.64103	0.5
81.01188	0.5
81.07131	0.7
83.05029	2.8
101.45425	0.5
103.85592	0.5
119.32626	0.5
121.90845	0.5
125.06085	5.5
126.34415	0.5
155.63705	0.6
195.10226	2.2
213.11353	30.3
214.11589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72744	0.6
54.05255	0.6
54.83284	0.7
59.01387	100.0
64.20420	0.7
65.67258	0.7
73.50571	0.7
74.69511	0.7
75.83865	0.6
84.94303	0.8
88.10035	0.8
92.10062	0.9
94.22530	0.8
109.45196	0.7
123.08142	1.3
125.06082	3.5
130.13593	0.8
182.02614	0.8
195.10312	0.9
213.09427	1.5
213.11371	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01908	1.0
59.01404	1.2
69.03474	0.8
82.65232	0.7
82.95141	0.7
83.05038	14.9
85.06622	0.9
95.05050	1.7
97.06609	4.7
98.03741	1.2
103.07514	0.8
107.05058	2.9
111.08187	1.7
123.08195	3.1
137.09756	0.7
139.11301	22.3
149.09718	1.1
151.11305	100.0
152.11668	1.7
165.09143	0.7
167.10788	0.9
169.12389	2.9
183.10295	5.1
195.10315	1.5
213.11374	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.24994	1.5
56.52731	1.7
56.94862	1.4
57.03456	2.5
59.01373	14.8
69.03462	8.0
71.05015	100.0
83.05022	2.4
85.02951	2.6
85.22491	1.8
86.01593	1.8
87.04517	2.7
97.02953	9.1
97.03560	1.8
97.06601	8.9
98.08845	1.7
100.57892	1.7
113.09734	2.6
115.03965	14.7
115.07639	12.0
125.09716	2.8
127.11295	51.3
139.85016	1.7
141.09152	2.2
141.12839	1.8
142.43767	1.8
151.11282	8.3
169.12343	73.4
213.11293	24.9
213.13025	2.0
213.14964	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	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45366	0.8
52.61469	0.8
54.71376	0.9
59.01384	100.0
82.90660	0.9
83.05029	59.3
83.05535	1.9
87.66705	1.1
92.10670	1.6
96.21159	1.0
111.09634	1.0
114.04932	1.0
120.12503	0.9
122.18990	1.0
134.62007	1.2
171.11783	5.0
197.09641	1.4
213.11343	16.4
213.12987	6.1
213.14789	1.9
213.59569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	64.5
69.03451	94.6
71.05016	100.0
73.04849	3.8
81.07101	25.0
83.05042	10.8
85.06587	27.8
97.06563	34.5
98.03719	5.2
99.08151	81.0
104.53442	4.4
123.08192	8.6
125.09644	7.0
133.10248	8.7
139.11307	6.5
141.09200	18.0
151.11270	31.3
157.39757	5.1
157.77275	5.0
169.08679	6.6
169.12341	78.0
171.14436	5.0
183.10216	28.1
195.10268	8.7
213.11299	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	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
58.31264	0.3
59.01386	100.0
60.01720	0.3
62.28206	0.3
66.49048	0.3
81.07097	3.1
83.05036	60.8
84.05391	0.5
92.10877	0.4
96.85747	0.3
103.52257	0.4
150.51184	0.4
213.11359	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	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34072	0.8
57.03451	1.1
59.01384	100.0
63.62696	1.1
68.68286	1.0
81.07089	1.3
81.37122	1.0
82.00840	1.0
83.05025	48.1
92.57236	1.0
93.22372	1.1
100.06645	0.9
114.37702	1.1
135.21149	1.0
151.11287	1.6
213.11357	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
54.83020	2.6
57.03456	39.3
59.01397	5.1
59.15221	2.1
67.46304	2.3
69.03459	75.0
71.05019	100.0
81.07102	16.2
83.05030	15.6
85.06597	29.1
88.22614	3.2
91.58923	2.2
92.10073	5.2
95.05042	2.7
97.06570	23.8
98.03738	3.5
99.08163	61.9
105.15055	2.5
123.08218	2.8
125.09685	3.4
133.10165	3.4
135.08174	4.4
137.09724	21.6
141.09245	13.7
151.11299	20.3
151.62512	2.7
169.12347	62.0
213.11296	29.9
213.14851	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	213.0769
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
53.62526	1.1
53.92777	1.1
57.03450	28.8
59.01379	2.2
62.83516	1.2
72.68858	1.2
83.05029	3.5
85.06587	3.0
93.03460	3.2
99.04510	91.5
122.49597	1.8
125.02435	6.8
125.09720	30.6
169.08702	87.2
213.07704	100.0
213.11032	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	213.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	11.4
59.01374	1.6
64.11159	1.3
69.03459	25.0
69.14146	1.4
71.05018	37.6
76.71437	1.2
81.07094	8.5
83.05054	5.1
85.06608	9.4
88.12900	1.3
97.06578	11.4
98.03745	2.5
99.08145	27.8
125.09681	3.2
139.73828	1.3
141.09224	7.3
151.11255	10.2
169.12334	32.8
213.11359	100.0
214.11726	2.2
220.53328	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	213.0771
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
50.61104	2.3
52.12375	2.2
52.26277	2.1
54.82811	2.5
57.03467	17.0
65.32883	2.4
67.05537	13.1
67.88008	1.9
73.93270	2.2
81.07097	20.0
83.05042	2.5
85.02970	3.3
99.04520	43.0
109.06605	4.1
111.04559	5.8
123.08177	3.3
125.02402	8.7
125.06094	2.5
125.09722	19.6
149.75467	2.3
151.07713	2.8
169.08734	100.0
213.07730	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	6-epi-7-Iso-cucurbic acid
Peak:m/z	Relative Intensity
52.42105	1.0
57.03462	43.3
59.01393	100.0
61.98868	1.2
62.18980	1.0
64.34736	1.1
70.43425	1.1
76.19523	1.0
82.30009	1.1
97.06606	2.2
114.39645	1.1
123.08209	1.6
139.11299	1.6
149.13351	1.8
151.11331	11.7
167.14410	27.9
211.13435	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
85.17080	0.2
92.10042	0.2
93.07077	0.9
121.72123	0.2
137.09700	3.1
165.09152	1.8
165.12833	11.6
166.13228	0.3
167.14400	11.2
171.23631	0.2
185.15462	1.5
193.12334	3.0
204.18599	0.2
211.13399	100.0
211.36714	0.2
212.13785	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40352	0.3
54.56005	0.2
55.60984	0.3
63.59164	0.3
81.36146	0.3
92.10159	0.6
92.65858	0.3
93.07083	0.7
137.09702	2.4
165.09215	1.5
165.12843	10.7
167.14418	11.7
172.68831	0.3
185.15475	1.4
193.12379	2.8
211.13425	100.0
212.07909	0.3
212.13763	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	(-)-Dihydrojasmonic acid
Peak:m/z	Relative Intensity
54.86626	1.8
62.16898	1.8
82.97687	1.8
97.06586	3.6
113.09752	2.0
123.08144	2.1
125.09741	9.4
128.73456	1.9
137.09758	3.4
139.11284	20.1
151.11290	68.4
153.76607	2.0
165.12852	24.2
167.14426	100.0
171.36638	2.2
180.46025	2.0
211.10155	2.0
211.13425	78.7
223.60564	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	211.1341
Annotation	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol
Peak:m/z	Relative Intensity
52.42385	2.0
52.86591	1.6
52.97551	1.6
58.65119	1.5
60.78483	1.8
74.32375	1.8
77.91918	1.6
108.84995	2.2
125.09737	11.6
139.11301	10.8
149.09697	2.9
151.11296	85.9
165.12866	25.3
167.12964	3.4
167.14421	100.0
211.13412	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.01400	0.4
59.01418	0.5
72.33717	0.4
92.10112	0.8
109.72632	0.5
114.30853	0.4
139.64558	0.5
151.11230	0.6
167.10806	0.7
209.11778	0.6
211.13422	100.0
212.13651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0979
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.06221	0.8
53.74568	0.7
55.01889	0.8
57.03453	1.7
59.01380	19.4
60.99318	5.0
61.98837	1.2
67.01894	5.5
69.03442	1.0
71.05009	1.6
80.02671	1.2
80.16996	0.8
81.03442	1.3
83.05033	1.0
85.02945	1.5
93.03455	1.6
94.04244	4.6
95.05032	6.8
97.02912	1.1
97.06588	4.5
107.05042	19.1
109.06599	1.4
111.08186	1.6
121.06597	6.9
123.08175	5.0
134.07390	3.9
139.03967	1.2
139.11302	5.0
147.08151	3.5
149.09727	81.6
150.10007	1.0
151.07703	1.0
154.06360	1.9
167.10765	11.6
167.14409	4.9
193.95882	0.8
211.09793	100.0
211.13301	4.8
212.10045	1.7
223.61572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.8
63.56426	1.8
77.27991	1.9
85.02991	2.4
92.10114	4.1
97.06587	3.8
107.10693	2.3
115.04094	2.6
123.08125	4.3
125.09747	10.6
137.09750	4.4
138.83113	2.1
139.11247	11.3
151.11301	77.9
165.12851	26.6
167.10834	2.8
167.14426	100.0
189.07895	2.5
211.13431	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1549
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.17323	1.5
53.25404	1.2
53.62595	1.3
53.97404	1.3
56.10993	1.6
59.01382	18.5
61.98841	10.7
65.89707	1.7
83.05043	4.4
87.05387	1.5
92.99842	2.8
93.03466	2.0
95.05053	3.2
97.02952	1.7
120.02163	7.3
121.02959	100.0
122.03321	2.9
127.00083	2.0
137.30165	1.7
154.09975	1.9
209.04547	9.7
209.11937	3.1
209.15500	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0978
Annotation	Striatisporolide A
Peak:m/z	Relative Intensity
55.01875	2.6
57.03452	3.7
59.01379	21.4
69.03480	2.6
83.05047	4.3
95.05054	11.7
97.06587	94.6
99.04544	14.4
107.05051	6.1
111.04477	2.6
111.08193	2.7
113.06102	3.9
115.07691	3.9
123.04573	5.7
138.38097	2.7
149.09727	38.5
151.07597	4.3
162.09868	2.8
164.98294	14.2
167.10782	79.6
175.56978	2.8
211.09779	100.0
211.13351	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	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09012	1.0
52.54113	0.9
52.71039	1.0
57.03470	1.2
59.01392	99.6
61.98835	1.3
65.87772	1.0
67.04134	1.2
67.11916	1.0
67.94000	1.0
82.56837	1.3
83.05043	1.7
89.02454	1.5
93.03491	2.0
95.05006	2.2
101.11021	1.1
120.02169	1.8
121.02959	60.7
123.08223	4.5
135.52658	1.1
149.09654	1.4
165.09222	1.4
165.12854	34.9
179.03400	1.6
191.14395	1.4
209.04581	6.4
209.11867	100.0
209.15184	10.8
210.12302	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	209.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99334	0.2
59.01380	0.6
61.98844	0.2
63.48600	0.2
66.41093	0.2
81.19519	0.2
89.46573	0.3
91.82654	0.3
92.39439	0.3
94.38293	0.2
107.05036	2.1
110.83863	0.2
120.02151	0.4
121.02950	7.1
121.06584	0.5
123.08163	100.0
124.08467	2.6
136.13727	0.3
141.97284	0.3
149.09766	1.0
165.12848	26.9
166.13152	0.4
181.12332	4.4
191.14418	0.3
203.44344	0.3
209.04584	1.1
209.11874	10.8
209.15413	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	209.1548
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.54743	1.0
56.00403	1.1
59.01394	1.4
78.66143	1.2
83.99660	1.1
101.20349	1.3
105.34599	1.2
121.02946	12.2
123.08165	90.2
124.08499	2.1
165.12865	21.4
177.55984	1.3
181.12323	1.6
203.88997	1.4
209.11922	8.5
209.15498	100.0
210.15794	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	209.1548
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.82674	1.5
55.81408	1.4
57.08747	1.3
59.01391	17.4
61.98844	7.7
64.56151	1.4
65.00327	1.7
69.03476	8.6
71.01396	1.4
73.34765	1.4
73.85733	1.5
83.01392	1.3
83.05044	6.9
89.02457	1.5
91.01887	2.0
92.10180	1.7
92.99830	2.8
93.03490	3.1
95.05032	3.4
96.96047	1.6
97.02965	3.6
120.02180	3.6
121.02959	100.0
121.06572	1.9
121.74395	1.5
122.03316	6.1
133.77719	1.5
136.01590	1.4
136.98827	1.7
139.04034	6.6
139.11327	2.7
164.94073	2.5
165.12915	2.8
191.14438	12.3
194.02051	1.5
209.04639	9.6
209.08188	2.9
209.11974	2.2
209.15517	34.0
209.51624	1.4
209.83199	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.3
61.22780	1.4
61.23648	1.5
61.98823	4.0
69.03439	1.7
70.04993	1.4
71.01362	2.7
73.58769	1.6
83.05009	8.5
89.02446	2.1
91.01879	2.7
92.10184	3.4
93.03429	2.3
95.05022	3.1
108.56461	1.5
109.06609	2.0
109.85817	1.8
120.02134	2.3
121.02934	100.0
121.06534	1.7
122.03258	2.9
135.76042	1.6
139.07603	3.5
149.09671	12.3
157.96008	1.7
163.11235	3.7
165.12828	52.6
181.12305	2.7
186.95389	1.6
209.04558	10.2
209.09851	2.6
209.11816	34.6
209.15373	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	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82784	0.6
56.10480	0.6
59.01402	1.5
59.61144	0.6
69.03465	23.9
83.05053	1.0
87.23888	0.9
97.06590	1.0
98.00108	4.9
117.75253	0.7
121.02958	15.6
121.06599	1.0
123.08171	5.3
138.27119	0.7
149.09766	4.5
163.11310	6.5
165.12857	100.0
166.13164	1.3
174.95464	0.8
209.04518	1.1
209.11867	35.3
209.15311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35578	0.2
59.01377	0.6
60.40828	0.3
61.40132	0.3
64.38359	0.3
66.27785	0.2
73.02305	0.3
92.10704	0.4
103.23239	0.3
107.05017	2.1
120.02150	0.4
121.02947	5.7
123.08160	100.0
124.08479	1.2
135.41133	0.3
149.09721	0.4
165.12849	23.3
166.13095	0.4
181.12357	4.7
209.11884	10.1
209.15479	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	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24696	0.5
58.61483	0.5
59.01393	2.7
60.12492	0.5
61.98840	0.6
71.01401	0.7
83.02814	0.5
83.05036	0.8
92.10166	1.1
106.04244	0.7
111.08170	1.0
119.53770	0.5
120.02141	0.7
121.02956	22.9
121.06583	0.7
122.03301	0.7
125.09717	0.6
131.08675	1.2
134.07359	0.6
138.03236	0.6
147.08157	3.4
149.09735	32.8
163.11302	8.4
165.12856	100.0
166.13184	2.3
180.08011	0.7
191.10852	0.6
209.04599	1.3
209.11864	37.1
210.12201	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49831	0.4
57.03451	2.1
59.80947	0.3
76.98502	0.4
81.80856	0.4
92.72301	0.4
101.11893	0.4
107.05045	1.0
121.02962	7.5
123.08148	100.0
124.08462	0.6
151.07629	2.6
165.11536	0.8
165.12843	13.7
176.03461	0.4
181.12343	0.7
191.10730	0.5
196.08290	0.4
209.11897	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	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73396	0.5
56.45740	0.5
59.01389	4.3
59.29486	0.6
60.92008	0.5
63.45493	0.5
69.03452	2.7
71.05020	4.4
80.27809	0.6
83.05041	3.0
89.02435	0.7
90.01118	0.6
97.06593	2.3
107.69495	0.6
109.06612	1.0
115.72219	0.6
115.84093	0.6
118.65888	0.6
121.02974	16.2
121.06599	1.4
123.08199	6.4
137.09680	1.3
137.69691	0.6
139.07620	0.7
147.11815	5.4
149.09737	2.9
152.46068	0.6
163.11305	3.3
165.12857	100.0
186.75552	0.6
208.99147	0.6
209.04596	2.9
209.11868	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	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80976	1.0
57.03459	1.6
57.26224	1.0
59.01378	9.4
69.44072	1.2
81.03465	2.8
83.05026	100.0
89.02470	1.1
94.44463	1.3
106.04266	1.7
107.05020	1.2
109.06589	13.9
114.70685	1.2
120.02193	1.7
121.02958	38.2
121.06601	13.5
151.56689	1.4
165.12877	2.9
171.81375	1.6
181.12531	1.3
191.10788	2.1
208.30309	1.3
209.04533	5.0
209.11858	21.2
209.15471	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	207.1756
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
53.28728	1.6
55.78339	1.7
57.03456	2.3
57.78255	1.8
59.01388	24.6
67.01911	2.8
69.03471	3.8
71.01397	3.1
71.55273	1.7
83.05022	53.6
83.05476	2.8
85.86155	2.1
97.06608	3.2
99.00883	8.5
99.08171	3.2
125.09723	70.4
125.10600	3.7
127.11317	4.2
129.01942	3.8
137.09740	3.8
147.02974	9.8
149.09810	2.3
151.11256	3.6
165.12842	8.0
191.14461	4.7
205.16002	11.1
207.13969	13.2
207.17583	100.0
207.32941	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	209.0454
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.74103	0.4
53.37670	0.4
59.01384	0.6
61.32829	0.4
66.01118	0.5
74.82505	0.3
76.57175	0.4
79.10199	0.4
79.79304	0.4
91.01888	1.9
92.65420	0.4
93.44234	0.4
120.02151	5.7
121.02937	100.0
122.03288	0.8
132.40637	0.4
136.01640	2.2
209.04550	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	207.1757
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
54.55753	1.1
54.83356	1.1
57.03454	79.4
59.01381	22.9
62.34594	1.2
68.17854	1.0
71.01389	7.3
85.02934	1.2
90.08857	1.1
95.08673	1.3
97.06583	23.1
98.88671	1.2
99.00896	4.6
101.72429	1.0
109.06612	1.5
125.09722	43.9
129.01903	2.9
133.06616	6.8
137.06105	1.5
137.09752	18.7
147.02998	8.4
149.09724	73.2
150.10066	1.3
153.12854	6.6
183.28630	1.3
189.12747	11.0
189.16447	1.6
191.10822	13.3
191.14418	7.0
207.11975	2.4
207.13954	69.2
207.17564	100.0
208.17853	1.8
213.24976	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	207.1755
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
57.03450	50.5
59.66857	3.3
97.06599	24.8
106.23048	4.2
125.09695	16.3
148.81761	4.9
207.17542	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	207.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56153	2.0
54.37868	2.4
54.82871	3.7
57.03456	50.3
59.01382	3.7
60.39403	2.2
65.88754	2.7
92.20632	3.0
97.06581	23.9
99.84279	2.4
104.23234	2.4
114.40572	2.9
125.09724	17.6
136.54085	2.5
137.09706	4.9
147.03004	3.0
161.87350	2.8
162.12160	2.6
167.71681	2.4
196.31123	2.9
207.17567	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	207.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.3
55.75380	2.1
57.03456	11.3
59.01385	100.0
65.73844	2.5
71.01389	25.2
71.05032	3.2
72.99319	4.4
75.00872	5.5
75.76002	2.7
85.02947	2.7
93.03416	2.7
97.29011	2.3
99.00872	28.1
101.02427	5.7
107.05047	17.1
107.23724	3.2
122.03740	44.2
129.01936	23.9
135.04491	11.3
136.05295	10.5
136.24522	2.6
137.06073	15.6
137.09717	10.9
147.03011	36.2
149.02467	2.7
156.76405	2.7
161.09744	4.6
163.07733	3.8
163.11343	19.6
164.04799	6.0
164.08339	2.7
164.89580	3.7
165.09151	4.3
179.10741	15.8
189.09152	15.7
189.12854	3.5
207.10338	35.5
207.13945	93.6
208.14188	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1392
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
Peak:m/z	Relative Intensity
53.96912	1.2
55.01891	7.5
57.03461	5.7
58.57577	1.1
59.01385	58.8
71.01395	17.1
71.42355	1.4
75.00864	3.5
82.20454	1.4
85.02950	1.9
94.37537	1.3
99.00876	13.1
101.02441	7.1
117.01971	1.7
129.01961	15.4
135.04648	1.6
147.03024	21.1
163.00482	2.2
164.89467	3.5
177.02007	2.9
188.41479	1.7
192.04240	2.5
206.99400	1.8
207.06728	1.9
207.10304	3.3
207.13934	100.0
207.17264	2.5
207.50253	1.7
208.14206	2.4
226.99825	1.5
229.73361	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	207.1028
Annotation	(4-tert-Butyl-phenoxy)-acetic acid
Peak:m/z	Relative Intensity
55.01876	0.4
57.03470	1.2
58.00593	0.5
59.01386	5.4
65.03991	0.4
69.03476	0.4
71.01388	1.4
75.00874	0.4
83.69316	0.3
89.02503	0.3
90.90256	0.3
97.06621	0.6
99.00883	2.4
113.23164	0.3
121.10231	0.4
129.01964	1.3
143.21661	0.3
144.22765	0.4
147.02998	2.2
147.08185	1.2
161.09729	3.5
163.11288	14.1
179.10757	1.2
207.10286	100.0
208.10680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1389
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.09911	2.2
54.56318	2.1
55.01886	6.3
56.33946	2.0
57.03454	11.7
59.01376	100.0
59.01653	4.2
64.30366	2.4
66.69882	1.9
66.73035	2.1
69.03484	2.9
69.87772	2.5
71.01367	29.0
71.05038	4.0
72.99337	2.3
75.00892	4.9
76.81616	2.4
80.43824	2.4
81.09702	2.3
83.05022	3.6
85.02964	2.9
87.04538	2.7
89.02463	5.0
90.36017	2.2
96.99313	2.9
99.00870	32.1
107.05011	25.2
118.86472	2.6
122.03755	29.4
129.01913	16.7
135.04478	11.3
136.05296	5.6
137.06053	15.1
137.09752	11.4
147.03023	34.1
149.06125	3.9
149.09708	3.0
163.11292	17.3
164.04799	13.1
164.08318	4.5
164.89526	3.7
177.09274	5.0
179.10733	15.9
189.09119	6.2
189.12941	5.0
207.10323	34.4
207.13907	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1028
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.01892	3.9
56.85423	1.6
57.03442	2.7
58.95946	1.6
59.01384	75.2
61.34444	1.7
61.43576	1.8
62.07053	1.5
65.28536	1.9
71.01392	14.6
80.02683	4.6
81.03445	15.1
83.05042	10.6
85.02973	2.8
89.02450	2.7
95.05033	2.2
97.02957	2.2
99.00874	19.3
101.02487	3.3
107.05034	8.2
109.06599	100.0
114.40163	3.1
119.03389	2.4
121.06618	8.0
122.03757	2.4
129.01952	10.9
135.08168	18.4
136.05302	3.9
137.06064	2.1
147.02985	13.7
148.05330	18.8
154.63957	1.8
161.09773	3.2
162.06856	2.6
163.07640	15.6
163.11302	36.4
177.01936	2.5
189.09189	2.2
197.91484	2.0
207.06644	12.7
207.10306	44.1
207.13899	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	207.1027
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
57.03432	0.3
59.01380	2.5
69.03439	0.2
71.01383	0.2
72.71665	0.3
97.82726	0.3
99.00870	0.4
107.05044	0.3
116.37809	0.3
123.08117	0.3
133.06567	2.8
135.08167	1.7
146.07375	0.2
147.03014	0.3
147.08159	3.3
161.09688	1.9
163.11288	100.0
164.11621	2.0
175.60703	0.3
189.09212	7.2
189.12825	0.5
207.10278	33.7
207.13629	0.8
208.10573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
59.01387	100.0
60.01725	0.3
71.01391	2.3
71.73314	0.2
75.00883	1.4
78.03667	0.2
87.00885	0.3
89.02420	0.4
90.98605	2.5
99.00874	1.7
101.02464	0.3
107.24147	0.2
115.00375	1.4
117.01978	0.3
128.78107	0.2
129.01933	0.9
135.03014	2.2
144.73701	0.2
147.03072	1.8
159.17995	0.3
168.54367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20831	0.8
50.86415	0.7
55.01894	4.8
57.03452	12.4
59.01387	25.7
67.01907	4.6
68.54633	0.8
69.03477	4.2
71.01381	26.2
71.30428	0.8
72.99311	72.7
73.02948	81.1
75.00872	94.4
76.49754	1.0
83.01400	20.1
83.88965	0.9
85.02958	73.6
87.00904	1.9
89.02443	9.3
94.30677	0.8
95.01391	15.9
99.00876	9.3
100.01670	6.4
101.02448	20.5
103.04041	4.4
111.00916	1.0
113.02459	100.0
114.02767	1.0
117.01961	2.3
118.98112	4.1
129.01935	7.0
131.03490	21.2
135.03003	57.3
136.95667	1.0
143.76445	0.9
157.01442	10.9
163.85526	0.8
166.42497	1.1
169.40677	1.0
175.02394	1.7
180.53781	1.0
184.09402	1.1
189.03973	1.9
191.21706	1.1
207.05122	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	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.0
57.03460	11.1
59.01385	18.9
67.01899	5.2
67.40005	1.1
68.99859	1.1
69.03468	5.0
71.01380	22.7
71.01714	1.3
72.99305	72.4
73.02941	82.1
75.00859	13.9
82.21080	1.1
82.54823	1.2
83.01386	23.6
83.01810	1.3
85.02948	77.2
85.03442	2.6
86.03335	1.2
87.00898	2.2
95.01379	15.4
99.00883	7.4
100.01691	5.9
101.02446	24.9
103.04050	2.4
104.76218	1.4
111.00920	1.6
113.02457	100.0
115.00375	1.5
118.52155	1.1
118.98154	2.1
124.71329	1.3
129.01932	9.7
131.03502	21.4
135.03023	5.3
157.01405	8.3
199.25955	1.3
207.05081	3.0
224.53520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39241	0.3
52.69394	0.3
55.01886	2.8
57.03458	3.6
59.01385	12.4
60.99324	0.5
67.01897	1.8
69.03455	1.9
71.01382	9.0
72.98885	0.6
72.99306	29.4
73.02946	27.0
75.00870	81.7
80.31046	0.3
83.01385	7.8
85.02954	26.5
87.00875	1.6
88.98817	2.4
89.02439	11.2
95.01381	5.1
99.00906	3.5
100.01678	2.0
101.02444	7.5
103.04019	0.9
113.02457	32.9
115.04037	0.6
117.01944	4.0
118.98112	0.7
127.85976	0.4
129.01971	3.3
131.03490	7.9
135.03004	100.0
136.03421	0.4
140.09746	0.4
145.05115	0.4
147.03023	0.6
157.01440	3.0
166.47705	0.4
166.96330	0.3
175.02582	0.4
179.15616	0.3
189.04068	0.6
207.05084	4.6
227.39711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91563	2.0
55.01869	2.3
59.01384	33.3
59.08894	1.7
61.98829	3.8
71.01388	13.0
87.76308	2.1
99.00883	10.0
129.01906	12.6
137.06088	3.1
140.29951	2.4
147.02989	13.0
158.15846	2.2
164.89566	4.9
169.18237	3.1
173.06055	11.3
176.04765	4.4
178.99678	2.5
189.09286	24.5
190.06352	2.5
191.07149	98.4
205.08720	100.0
206.09505	53.3
206.16350	38.0
219.95451	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	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70365	0.8
54.29881	0.8
54.59690	0.9
54.83315	0.9
59.01377	11.2
60.13723	0.8
61.98830	5.5
67.31946	0.9
71.01380	1.5
72.99313	2.0
73.43750	1.0
85.06604	2.3
85.88515	1.2
87.00903	1.4
88.17442	1.0
97.77320	1.0
99.00880	1.1
108.44717	1.1
115.00394	1.2
115.07638	2.4
125.02427	1.3
129.05606	2.1
143.07123	1.1
144.42708	0.9
162.89363	6.3
187.07719	1.7
189.12929	2.3
205.07111	1.3
205.09181	1.2
205.12372	80.3
205.15982	100.0
206.16354	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.42026	1.2
58.02982	41.4
59.01373	1.4
70.02974	12.9
72.00919	6.7
91.05540	18.2
102.38513	1.3
147.04536	44.9
164.07187	100.0
205.15990	2.1
206.08260	44.6
206.16301	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	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50035	0.3
59.01389	3.6
61.98829	1.9
71.01366	0.6
71.28365	0.4
72.99294	0.6
77.25233	0.4
85.06592	100.0
86.06916	0.8
87.68101	0.4
88.08528	0.4
99.00872	0.4
99.18027	0.4
107.05035	40.3
109.71148	0.4
115.07684	0.5
129.05600	0.4
161.09692	0.5
162.89365	3.4
163.11218	0.5
187.07643	1.6
189.12914	1.0
205.12386	23.7
205.15997	33.0
206.12653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	Benzyl hexanoate
Peak:m/z	Relative Intensity
53.81598	0.3
57.03441	0.7
59.01389	3.2
61.01781	0.3
61.98819	1.6
65.54298	0.3
71.01365	0.4
72.99322	0.4
85.06590	100.0
86.06913	1.2
107.05035	40.2
108.05399	0.3
115.07653	0.7
120.05795	0.6
129.05574	0.6
140.82896	0.3
161.09731	0.4
162.06859	1.5
162.89394	2.6
163.11197	0.4
187.07602	1.3
189.12846	0.6
203.10875	0.4
205.08730	1.3
205.12381	25.1
205.15997	31.7
206.16263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.8
57.03458	7.6
59.01388	10.5
59.89889	1.0
61.71109	1.0
61.98843	2.2
65.35999	0.9
69.03479	1.9
71.01402	1.5
72.99316	1.9
76.64165	0.9
83.05031	1.4
83.33824	1.0
87.00906	1.3
95.05007	0.9
99.00920	1.2
107.05008	2.1
107.46692	1.0
115.00390	1.8
115.07669	5.1
119.05025	6.3
121.06596	8.6
129.05573	1.8
133.06642	3.7
135.04501	2.1
135.08162	6.5
138.91768	1.2
143.07114	1.3
143.08675	2.0
145.06598	5.4
147.04529	17.7
147.08174	1.3
149.06097	10.0
157.06755	1.2
159.08160	4.7
159.31754	1.1
161.06039	1.7
161.09717	15.2
162.06812	1.1
162.89365	7.1
163.07635	5.5
163.11279	1.4
172.05240	2.1
175.07603	1.3
177.09206	10.1
185.78366	1.0
187.07658	11.1
189.12837	1.3
195.85583	1.0
205.07204	2.4
205.08739	65.9
205.12093	4.0
205.12808	3.0
205.16006	100.0
206.09096	1.1
206.16397	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71246	0.8
59.01404	1.7
63.10434	0.7
69.34853	0.9
72.99309	41.0
73.02935	1.7
81.07108	4.4
85.06615	1.2
99.08146	14.2
113.06115	4.6
115.07652	100.0
116.08006	1.0
125.06058	1.2
129.05582	61.7
143.07150	33.3
144.07564	1.1
159.06615	3.9
205.07196	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65657	0.6
52.30246	0.8
56.22292	0.6
57.03458	4.6
59.01377	9.6
61.98846	3.1
71.01395	1.9
72.09687	0.8
72.99312	2.1
76.90889	0.9
85.02953	42.6
85.03459	1.5
92.65651	1.0
99.00874	1.2
107.05041	43.0
112.20311	0.8
115.00423	0.9
115.07661	3.2
117.30624	0.8
121.06504	0.9
129.05576	1.5
143.07130	1.4
147.04553	1.0
148.90654	0.8
161.06024	1.4
161.09700	1.2
162.89381	5.7
163.07626	1.3
172.05299	1.4
177.09091	1.1
178.06367	2.0
187.07652	5.3
189.12828	1.7
190.06334	1.3
205.06921	2.1
205.08736	45.5
205.12163	3.6
205.15988	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	205.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38766	0.7
59.01381	2.0
67.54258	0.8
72.99290	41.1
72.99680	1.7
73.02944	1.4
73.78241	1.0
75.00888	0.8
81.07098	4.7
85.06573	1.3
87.85916	0.8
88.52523	0.8
99.08125	15.1
101.06039	1.0
107.93161	0.9
112.26774	0.9
113.06085	4.4
115.07628	100.0
125.06080	1.1
129.05548	59.0
143.07118	34.4
152.33972	1.0
155.97363	1.0
159.06583	3.6
176.80748	0.9
205.07162	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
55.28457	1.1
57.03459	13.4
59.01394	8.6
61.13880	1.1
67.01913	5.1
69.03481	1.1
71.01393	7.1
71.05031	14.7
72.99322	11.6
73.02950	10.0
75.00873	3.0
81.03468	11.2
83.01398	1.5
84.19767	1.1
85.02962	19.0
87.00880	22.9
99.00892	7.7
99.04525	38.8
101.02449	44.9
101.03101	2.4
111.00899	37.9
112.98825	8.0
115.00394	3.0
115.04004	22.0
115.53640	1.3
117.05553	1.6
125.02446	100.0
140.32430	1.1
143.03548	18.2
143.07132	1.5
145.01443	45.2
145.05046	2.4
154.99884	1.6
157.23767	1.3
173.00984	1.6
187.02499	30.1
205.03558	41.4
205.06979	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83167	1.0
55.01891	3.0
56.81895	1.2
57.03464	3.1
58.00632	1.7
59.01388	43.8
60.39021	1.0
60.42153	1.2
64.64514	1.4
66.03890	1.1
67.01910	2.0
68.99834	2.8
71.01379	23.0
71.05019	3.3
72.99309	20.9
73.02963	2.6
73.09516	1.3
75.00882	9.6
83.01390	7.9
84.99307	2.1
85.02978	7.6
87.00909	9.2
89.02457	9.3
98.03268	1.4
99.00884	38.6
99.04519	15.4
100.98763	1.4
101.02442	17.7
106.80254	1.3
111.00887	29.2
112.98820	100.0
115.00378	11.2
115.04025	7.5
117.01938	6.5
124.98813	1.6
125.02447	39.2
127.00373	1.7
129.01939	2.9
142.99879	2.2
143.03520	6.7
145.01450	21.3
154.99867	2.7
173.00894	8.5
187.02483	7.3
205.03598	11.1
205.15994	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	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
52.92899	2.0
54.98116	2.2
57.03457	3.0
59.01388	5.7
62.28523	2.1
66.89082	2.0
69.03477	3.6
71.01402	13.7
73.02959	10.3
75.62311	2.1
83.54162	2.2
85.02969	14.7
85.06596	71.5
85.07108	3.1
87.04547	3.1
109.76387	2.8
123.08171	4.9
135.08144	9.2
137.09718	68.4
147.08189	8.9
149.09712	24.1
153.09283	2.7
155.10818	10.9
157.08688	4.7
165.09207	3.3
167.10767	32.4
171.10255	12.8
183.10242	5.2
185.11821	44.7
203.12924	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	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
52.74152	1.2
55.01895	2.0
57.03461	7.8
59.01381	3.9
62.36144	1.3
66.92921	1.5
68.95176	1.4
69.03452	67.1
69.03803	3.0
71.01376	54.1
72.99313	8.2
75.00887	6.1
79.01887	11.7
82.73885	1.5
83.01383	3.3
85.02962	10.2
87.00880	16.7
88.05167	1.7
95.01402	9.2
96.96986	3.6
97.02939	100.0
99.00874	1.9
105.01955	3.5
111.00869	1.8
113.02503	2.9
115.00375	8.7
115.03992	2.9
117.32648	1.6
123.00892	3.2
129.01947	10.8
141.01933	18.4
149.64026	1.5
154.16351	1.7
157.03313	2.5
203.01991	85.4
213.04590	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	203.0926
Annotation	Phellodendric acid A
Peak:m/z	Relative Intensity
57.03462	0.9
59.01378	4.8
59.80427	0.4
60.65430	0.5
67.62323	0.4
73.02945	5.4
87.00850	0.7
88.87351	0.5
95.05033	0.7
97.06590	22.9
113.09740	3.0
114.98714	0.5
123.08141	2.2
123.28239	0.5
137.15265	0.5
139.07646	21.5
141.09224	53.1
143.07166	3.2
157.08705	42.5
159.10237	0.9
185.08217	5.1
203.09276	100.0
204.40662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68280	0.5
53.25635	0.5
59.01384	91.6
60.01725	2.4
60.13574	0.5
66.50392	0.5
99.92583	100.0
100.92620	3.1
115.92104	2.2
141.86826	60.3
141.93643	80.1
142.93599	0.9
149.75874	0.6
159.87894	18.8
159.89232	1.3
160.97705	0.7
174.99228	2.4
182.40231	0.6
201.89001	0.7
201.95772	6.0
202.02742	2.4
202.98784	0.7
209.25890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52549	2.5
56.03712	2.4
57.03484	3.1
59.51490	2.7
69.03458	85.0
69.03798	3.9
71.01376	50.2
71.01707	2.7
72.99335	4.2
79.01911	13.3
81.43465	2.8
85.02970	12.9
87.00901	11.4
95.01395	7.1
97.02943	96.6
111.00969	4.3
115.00327	3.8
115.04125	3.2
123.00894	3.5
129.01970	3.2
141.01941	20.8
203.01997	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	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20864	0.6
52.06026	0.6
53.36996	0.5
58.35728	0.7
58.93619	0.7
59.01394	71.0
60.01736	0.9
62.18353	0.7
65.30265	0.7
72.64888	0.6
75.65416	0.6
83.30519	0.7
83.99659	0.7
88.58281	0.7
91.49489	0.7
91.82104	0.6
97.51198	0.7
99.92587	100.0
100.92595	1.6
103.92048	3.7
109.46579	0.8
115.92123	1.0
116.92870	14.4
121.92274	0.8
121.95198	0.7
127.86997	0.8
130.94383	3.9
141.75224	0.7
141.86823	34.0
141.93646	69.3
142.93649	1.4
148.95454	1.7
159.85945	0.8
159.87880	18.5
159.89368	4.9
160.89290	3.0
164.83626	23.4
166.83353	6.7
201.80273	7.8
201.95793	3.9
202.02715	1.1
205.78462	0.7
209.28433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	86.7
60.01727	3.2
61.98822	0.7
71.02686	0.6
71.58848	0.7
74.17494	0.8
85.00649	0.7
99.92590	100.0
100.92606	3.2
103.92052	3.2
105.98985	0.7
111.61036	0.7
115.92063	0.9
116.92862	15.8
117.92885	0.9
130.94434	1.0
135.32516	0.6
140.58067	0.7
141.86832	33.7
141.93645	74.5
142.93681	0.8
148.95442	1.1
154.05069	0.6
159.86000	0.9
159.86523	1.2
159.87904	23.2
159.89375	3.9
160.89261	1.2
164.83635	22.6
166.83337	8.4
201.80260	9.2
201.95747	3.7
202.02715	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.82712	0.3
54.83010	0.4
58.98821	0.3
59.01394	2.5
67.84947	0.4
77.61999	0.3
83.51119	0.4
85.02515	0.3
92.10748	1.0
94.04238	5.1
95.07669	0.4
97.06584	5.3
104.01126	0.4
123.08166	3.1
137.09724	28.7
139.11293	100.0
140.11647	2.1
157.12344	16.1
157.42653	0.4
201.11348	50.2
202.11688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03451	0.4
59.01385	23.2
62.47976	0.3
64.05036	0.3
71.01392	1.4
85.02965	0.3
85.06589	42.7
86.06918	0.4
95.92274	0.3
111.08164	2.0
123.01389	0.3
131.37897	0.4
139.07672	0.5
139.11282	2.3
155.10733	1.4
157.08708	69.7
158.09029	0.5
172.13783	0.3
177.15186	0.3
183.10275	19.7
201.11354	100.0
202.11676	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	199.0977
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
57.03448	1.5
59.01389	25.1
60.16256	1.2
60.62442	1.0
65.03967	10.2
67.01917	1.1
69.03464	2.7
71.01384	13.5
71.05027	8.6
72.02170	1.4
78.54913	1.0
79.05556	4.9
83.05009	3.5
85.06593	2.8
92.10828	1.5
97.06583	1.6
98.03726	5.4
109.02957	2.5
109.06585	14.6
119.08681	6.1
127.07664	11.2
137.09714	19.4
142.71393	1.2
155.10773	4.8
164.26991	1.8
181.08710	100.0
199.09775	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.79904	0.6
57.03453	1.2
59.01399	1.7
66.50781	0.7
68.80342	0.8
69.03476	1.3
70.54861	0.6
71.05023	10.1
83.05037	9.7
94.12218	0.7
97.06606	1.7
99.00887	1.3
99.08137	1.8
105.05392	0.8
111.00903	7.1
111.08134	0.9
113.09704	1.1
116.92879	0.9
137.09740	6.6
139.11299	30.3
149.09715	0.9
153.12860	1.2
155.14441	11.6
199.09610	3.7
199.13425	100.0
200.13757	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.29461	0.7
69.03458	9.6
99.00865	1.3
111.08156	1.5
136.20280	0.9
137.09731	1.8
139.11301	7.4
151.11301	1.5
153.12869	13.8
155.14424	15.2
181.04518	0.8
181.12340	6.9
199.13417	100.0
200.13786	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45818	0.4
59.01379	100.0
59.08038	0.5
59.15734	0.5
80.75300	0.5
82.22090	0.5
86.44074	0.5
90.50107	0.5
98.85812	0.5
101.95595	0.5
146.43771	0.5
157.03561	4.5
159.01479	3.7
176.80284	0.6
201.02541	12.9
202.02693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32691	0.4
55.22108	0.4
57.03448	0.6
59.01374	1.1
59.03088	0.5
63.24490	0.4
64.35012	0.5
66.46645	0.5
69.03471	0.5
73.02927	2.4
81.03448	0.6
83.05017	1.1
98.32290	0.5
99.00864	0.7
99.04546	0.8
102.74358	0.5
106.20765	0.6
121.23094	0.5
134.56561	0.5
135.08148	2.2
137.09702	13.6
138.37915	0.6
155.10770	100.0
156.11055	0.9
156.89453	0.9
181.08681	3.2
198.86252	0.6
199.09756	23.3
207.58591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61055	0.6
56.15298	0.6
71.69170	0.7
103.87971	0.9
111.08184	1.5
135.08142	2.9
137.09740	34.6
138.10033	1.1
155.10799	100.0
156.11105	1.5
181.08777	1.6
199.09796	74.3
200.10327	0.7
214.50459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
50.47555	0.6
54.06289	0.5
57.03455	27.7
57.82914	0.7
58.00607	0.9
59.01388	3.2
67.05548	4.2
69.03456	49.0
76.40448	0.7
76.61319	0.6
83.05030	7.7
85.02950	0.7
85.06590	100.0
87.04513	29.6
87.05052	0.7
98.83437	0.7
137.08768	0.8
137.09702	5.0
155.10789	6.3
181.08632	0.7
199.09789	90.6
200.10011	1.3
213.74448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91988	0.5
57.03454	44.0
58.03794	0.7
59.01388	3.8
62.89759	0.7
67.05533	3.7
69.03458	47.0
69.67634	0.6
71.05042	1.3
83.05040	4.9
85.02965	6.3
85.06589	76.7
87.04520	19.9
125.09737	0.9
135.08168	3.2
137.09721	7.1
153.09273	5.0
155.10799	6.7
162.65578	0.7
181.08693	0.9
199.09793	100.0
200.10175	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	199.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54019	1.0
57.03463	6.2
58.00607	48.0
59.01390	10.7
59.91542	0.9
69.03475	1.9
72.99333	1.9
73.02960	1.8
74.38753	0.8
75.00893	4.6
76.57817	0.9
83.05067	4.3
84.02187	1.2
85.06609	13.0
95.05034	1.1
104.41181	1.0
125.09721	7.1
137.09747	14.0
137.51079	1.3
153.09256	1.4
155.10796	64.1
156.11252	1.0
181.08691	10.4
199.09793	100.0
200.10103	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	199.0979
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
50.62775	1.9
57.03458	12.5
58.00613	15.2
59.00291	1.7
59.01385	3.5
64.58682	1.8
67.05553	3.0
69.03457	27.6
71.01373	14.4
71.05013	23.5
73.02939	14.7
81.03473	2.3
83.05040	11.8
85.06615	12.9
95.26299	1.9
97.06585	2.0
104.37069	1.9
109.06606	9.8
110.20435	2.2
113.98441	2.0
119.40899	1.9
123.08180	11.6
127.07636	3.3
137.09738	9.3
139.07623	2.4
141.09180	2.7
151.07710	2.1
155.10793	8.4
158.95860	2.1
181.08745	13.5
186.83763	1.9
199.09793	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	199.0978
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
53.26580	0.8
54.83039	1.0
57.03454	10.5
59.61984	1.2
60.63926	1.1
67.05533	29.6
69.03455	26.9
73.02953	1.3
83.05028	2.2
85.02956	1.2
85.06586	18.0
87.04517	16.6
95.05046	1.5
97.06573	1.7
119.08689	1.8
125.09779	1.7
129.05579	1.6
137.09729	6.4
148.30878	1.0
155.10851	1.9
181.08789	3.9
199.09787	100.0
200.10117	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	199.0977
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
55.01892	1.6
55.76638	0.9
57.03186	1.8
57.03450	20.5
58.00600	2.6
59.01356	1.0
63.97172	1.0
67.05534	27.8
69.03455	33.0
69.03804	1.8
69.20377	1.0
71.05019	16.5
81.07098	2.7
83.05051	5.3
85.06599	16.4
85.47132	1.1
87.04514	14.0
95.05027	6.1
97.06573	4.9
99.08158	19.3
109.06570	2.0
110.31496	1.2
111.08175	18.5
119.08630	2.3
125.06098	2.8
127.07628	2.4
129.09236	2.4
137.09718	2.5
141.05547	1.1
153.09303	1.4
155.10806	4.2
169.12349	5.1
181.08630	1.1
181.12323	2.8
199.09776	100.0
199.13425	12.6
199.17111	1.4
200.09970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03459	3.7
67.51248	0.5
69.03466	12.9
85.02962	1.0
92.10735	0.8
93.03497	0.9
95.05024	11.4
97.06596	5.9
111.00878	0.8
111.08163	4.6
113.02478	2.7
121.02945	0.6
123.04524	54.9
124.04864	0.8
126.03515	0.5
181.08719	28.8
197.08255	0.7
199.09785	100.0
200.10118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.96755	3.3
56.19986	3.6
57.03455	67.0
57.03714	4.4
69.03461	92.5
71.05024	71.6
81.77062	4.0
85.06651	12.6
125.09729	25.3
131.26413	3.4
137.09708	10.0
151.11301	6.1
151.95087	4.1
153.09236	23.1
153.12865	100.0
171.13889	5.4
197.08240	18.1
197.11861	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03465	2.6
61.71230	2.1
67.01914	10.0
68.72638	1.9
69.03451	6.5
71.05029	2.0
75.62257	1.8
81.03471	3.4
83.05045	13.1
84.29755	2.0
85.02946	2.5
85.06612	5.3
86.40503	2.2
90.80727	1.9
95.05059	2.6
99.00864	3.3
99.08172	7.6
111.00894	100.0
119.08612	4.2
121.06598	2.8
135.08176	3.1
137.09712	28.9
181.08704	15.0
182.09341	2.4
199.09808	24.2
199.13531	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
59.01387	9.6
60.20723	0.6
60.36353	0.5
65.16936	0.5
69.03446	3.1
71.05025	3.6
78.09244	0.6
83.05036	1.0
85.02979	0.7
92.47377	0.7
92.85455	0.7
95.39012	0.6
135.08177	7.4
137.09724	88.1
138.10072	2.5
151.11301	1.1
153.12863	13.9
162.83902	0.7
166.24721	0.6
167.10747	1.3
179.10785	75.1
180.11040	1.3
197.11850	100.0
198.12190	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.11333	0.3
55.01885	0.4
67.01749	0.4
69.03465	0.7
71.05037	1.5
95.05031	0.5
97.06586	16.2
99.08159	4.8
109.06621	0.8
111.08117	0.4
118.71464	0.3
122.03745	3.8
125.09721	0.5
126.03211	0.8
137.09743	0.7
141.87552	0.3
149.96591	0.4
150.45824	0.4
151.11313	1.4
153.12866	100.0
154.13213	3.5
162.83899	0.7
179.10783	24.2
180.11105	0.6
180.31558	0.5
197.11861	6.5
197.15526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82056	0.3
52.65921	0.3
52.92688	0.2
54.77903	0.3
56.16037	0.3
69.03457	25.6
76.44423	0.3
83.01470	0.4
83.05033	0.7
85.02955	2.7
97.02948	100.0
98.03275	1.9
99.04513	18.5
153.09215	2.0
197.08191	2.3
210.39325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
52.68555	2.8
57.03460	7.8
59.95808	3.4
65.00325	5.5
69.03460	5.1
71.05039	28.2
80.02683	7.6
81.03448	4.0
83.01397	3.7
83.05028	65.0
85.02963	3.5
97.02969	3.5
97.06551	4.9
109.06605	14.6
111.00867	17.6
123.00943	4.1
124.01641	46.3
135.08162	17.3
141.93697	4.3
153.01924	4.0
153.09225	100.0
153.12825	7.1
153.15584	3.7
179.07094	8.2
191.28053	4.5
197.08211	32.7
197.11797	7.7
211.87494	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.2
57.19761	0.4
59.01401	3.2
65.84082	0.4
69.03461	1.0
71.01395	0.5
83.05048	0.5
92.10192	0.9
109.06605	1.0
114.56367	0.4
120.55850	0.5
126.90479	0.6
127.07636	0.6
135.08182	1.7
137.09727	15.5
151.11264	0.6
153.12880	8.7
179.10777	7.7
197.11864	100.0
198.12186	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	195.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
61.98831	0.9
65.57888	0.6
68.99584	3.7
69.19888	0.6
70.37201	0.5
71.01381	1.1
73.13011	0.6
78.10797	0.7
96.96037	2.6
105.55944	0.8
107.05029	1.0
112.98573	1.2
134.84290	0.7
151.07533	0.7
152.94499	1.0
160.84215	14.3
195.13924	100.0
195.81125	5.8
196.14230	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	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
55.16378	2.2
57.03477	1.9
61.14697	2.0
61.98869	2.9
83.05045	3.4
103.97672	3.3
109.06606	2.3
124.81329	2.4
126.90530	9.7
129.36122	2.2
160.84235	5.2
162.83943	23.3
196.86517	3.3
197.06111	100.0
197.07959	5.4
197.09891	4.2
197.11876	3.4
197.80835	13.4
198.06389	3.1
202.04161	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	197.082
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
54.96046	1.1
71.05014	1.4
92.66793	1.3
107.08620	1.8
113.12621	1.2
138.51543	1.4
153.09227	100.0
153.77286	1.7
154.09618	1.8
197.09914	1.5
197.11853	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	197.082
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
50.24952	0.9
53.78681	1.1
54.61636	1.0
59.01379	3.0
61.26697	1.2
64.93487	1.1
67.05528	2.2
73.48869	1.3
80.54385	1.4
83.05058	5.6
95.05054	1.7
97.06608	1.6
110.03730	4.7
135.08167	42.9
138.26495	1.2
138.64384	1.3
140.91878	1.4
149.72897	1.3
153.02032	1.6
153.09230	79.7
179.07170	5.9
185.70964	1.4
197.08214	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	195.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56936	0.5
52.95938	0.5
54.82629	0.4
59.01385	0.7
61.98830	0.6
66.85094	0.5
76.57314	0.5
83.05035	1.3
101.00207	0.6
101.29456	0.5
151.11299	0.7
160.84227	6.4
195.13922	100.0
195.81175	1.0
196.14267	2.2
214.68907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.03453	3.4
59.01386	2.3
68.99573	1.3
75.92017	1.4
83.05027	2.8
96.96022	2.7
107.05032	2.3
109.67037	1.4
123.04483	1.5
123.08263	2.5
124.88483	1.3
125.09715	16.2
130.64212	1.7
139.11314	1.7
151.07750	1.5
151.11293	83.5
152.11627	1.6
160.84193	3.5
164.98476	1.4
165.12889	17.2
167.14423	100.0
168.14751	3.0
177.09163	2.4
185.25752	1.7
195.10229	3.4
195.13913	99.2
196.14265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01385	0.3
68.99577	0.2
69.15477	0.2
71.01383	2.1
76.22153	0.2
85.49680	0.2
86.29578	0.2
160.84262	2.0
195.13928	100.0
195.81113	0.4
196.14288	3.0
214.89841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.86219	1.3
55.01890	12.5
61.98833	2.3
67.01835	1.8
68.60561	1.4
74.36246	1.3
76.45576	1.6
84.02166	2.4
92.10761	4.0
97.06582	6.0
112.98560	2.3
123.08185	3.6
125.09750	3.1
137.09718	2.7
139.11284	12.8
149.09749	2.2
151.11299	28.0
160.84204	30.3
165.12857	23.2
167.14410	39.6
177.12912	7.6
195.06691	1.9
195.13922	100.0
195.81110	9.9
212.00122	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	195.1027
Annotation	Ficusic acid
Peak:m/z	Relative Intensity
53.43154	3.5
53.49976	3.5
54.83012	3.3
57.03452	40.0
58.87319	3.2
59.01384	79.4
62.29744	3.1
64.34901	4.7
67.97256	3.6
69.03427	4.3
76.76286	4.3
83.05026	100.0
92.83039	3.9
95.14423	3.4
99.04501	6.6
102.68130	4.0
107.04990	4.3
123.08144	5.5
133.10202	6.3
135.08142	8.7
138.01981	4.8
141.10989	4.2
149.09737	27.5
151.07666	4.7
151.10216	6.1
151.11307	90.6
195.10292	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03468	5.8
59.01385	33.1
63.34890	1.0
63.40840	1.0
64.01246	1.0
66.45401	1.0
71.01062	1.1
71.01383	10.8
72.99303	9.8
75.00873	100.0
80.96523	4.5
85.02966	8.1
87.00872	18.6
89.02433	10.1
96.96935	1.3
99.00883	7.4
101.02439	1.9
105.01948	8.5
111.00893	2.4
119.79084	1.1
129.01936	29.0
141.01926	4.9
147.03023	2.3
159.03047	8.6
170.05986	1.1
177.04030	6.6
195.05122	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	195.0665
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
50.62267	1.0
58.12209	1.3
58.42090	0.9
59.01408	1.4
60.42913	1.1
60.99036	1.0
64.19053	1.1
65.03979	2.6
69.30217	1.0
79.01884	1.4
81.03482	1.6
83.05045	2.9
83.64161	1.2
89.48283	1.2
89.69430	1.1
93.03462	43.3
93.04015	2.7
95.05037	5.4
107.05029	41.3
107.05706	2.2
108.02179	5.2
109.02943	7.6
111.04517	2.3
121.02946	33.6
151.04002	7.0
161.54805	1.3
176.09001	1.2
177.05582	9.0
195.06651	100.0
196.07047	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	195.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77861	2.5
69.03464	3.1
81.07094	36.4
83.05074	3.1
124.05322	16.7
125.06069	50.8
155.08911	3.3
160.84923	3.3
176.27390	3.4
195.10289	100.0
195.11879	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	193.1597
Annotation	(+-)-5-(1-Methylethyl)-2-(2-methylpropyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
50.50470	1.5
52.81724	1.5
55.01878	2.6
55.15729	1.5
57.03450	2.2
58.58224	1.5
58.58560	1.5
59.01389	17.6
64.77686	1.5
66.60973	1.7
69.02783	1.9
69.03445	5.9
71.01384	17.3
73.02945	15.2
81.03451	2.0
81.81211	1.6
83.01393	3.7
83.05020	22.0
85.02950	16.5
86.00113	2.1
87.00901	10.3
92.10787	4.0
95.01386	4.4
97.02957	6.5
99.00896	15.5
99.65584	1.7
101.02441	26.4
108.00427	2.0
108.02206	2.0
111.04562	2.3
111.08163	16.4
113.02477	2.9
123.00910	2.7
123.04536	10.2
123.08204	7.0
125.02453	7.8
141.01968	4.0
149.06081	1.8
149.09727	47.4
150.03189	2.1
151.07674	10.0
155.03528	3.7
161.04549	30.3
165.09280	2.7
168.98622	1.9
175.14911	2.4
178.02715	3.8
178.10341	1.7
193.07382	13.8
193.08665	13.8
193.12364	60.4
193.14203	4.5
193.16002	100.0
194.16365	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	193.1234
Annotation	hexylresorcinol
Peak:m/z	Relative Intensity
53.75661	0.2
63.40410	0.2
66.99476	0.2
82.30437	0.2
87.95818	0.2
89.63902	0.2
136.06693	0.2
149.20874	0.2
193.12360	100.0
194.12679	3.1
203.76645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1597
Annotation	(+-)-5-(1-Methylethyl)-2-(2-methylpropyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
50.59431	1.7
55.01904	3.6
57.03458	6.4
59.01381	13.8
59.22595	1.5
62.61609	1.5
69.03467	6.5
71.01373	13.8
72.99288	2.4
73.02940	13.7
80.44028	1.5
81.03448	2.1
83.01386	3.5
83.05026	18.5
85.02928	15.3
87.00887	12.4
92.10780	2.7
92.72282	1.6
95.01442	2.1
97.02962	8.4
99.00856	14.6
101.02431	20.2
111.08161	11.9
113.02477	2.0
123.00885	2.0
123.04527	6.8
123.08144	3.1
125.02463	7.3
135.67535	1.8
141.01942	6.7
146.69653	1.8
147.28186	1.6
149.09761	29.2
150.03296	2.3
151.07741	6.1
155.03491	2.0
161.04565	23.4
165.12834	3.4
166.28242	1.6
178.02742	3.4
193.07169	16.5
193.08745	9.2
193.12352	43.7
193.15981	100.0
194.16278	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	193.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
55.14105	2.0
57.03447	4.8
59.01383	11.9
60.89886	2.1
69.03459	5.8
71.01391	10.9
71.05059	2.7
73.02935	14.5
85.02963	12.8
87.00869	6.0
94.33353	2.6
95.05009	15.6
97.02970	2.9
97.99481	2.4
99.00881	5.8
101.02427	13.4
105.07109	5.0
107.05039	9.4
109.92756	2.5
121.06591	17.1
123.08140	100.0
123.08989	5.6
134.03668	2.9
149.09731	32.1
155.03423	3.3
158.76996	3.0
159.02730	2.5
160.82967	3.0
161.04521	19.9
175.61732	2.6
188.18008	2.7
193.07144	12.2
193.08698	18.3
193.12233	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
59.01385	15.7
63.02331	1.5
65.38933	1.4
69.03461	3.5
71.01386	12.9
73.02940	14.7
83.01391	6.4
85.02936	16.3
87.00901	9.1
92.10183	1.7
95.01336	1.8
97.02947	6.8
99.00898	10.0
101.02438	18.4
108.02155	2.0
123.04527	3.5
125.02457	3.3
134.03720	2.6
141.01955	6.8
147.08141	2.0
150.94814	6.5
155.03433	2.2
161.04546	25.0
163.11290	100.0
175.11293	88.4
178.02721	2.3
192.95880	3.7
193.07159	13.8
193.08646	4.8
193.12321	40.3
193.16072	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	193.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79337	0.6
52.82753	0.6
56.80020	0.6
57.03462	1.0
59.01393	5.3
59.12683	0.5
65.78992	0.7
71.01403	3.9
73.02970	4.3
85.02962	3.6
86.00123	0.7
87.00893	1.8
97.02975	1.1
99.00907	3.7
101.02480	4.0
107.05061	1.1
112.25846	0.6
125.02460	1.5
135.04535	49.6
145.37143	0.7
149.06117	0.9
161.04564	6.6
163.04024	100.0
164.04343	2.7
178.02882	1.1
178.06369	56.4
179.06720	1.7
193.07143	3.3
193.08716	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	193.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69210	1.6
55.01873	1.9
59.01384	13.7
60.08806	1.5
69.03449	3.9
71.01376	11.2
72.98775	1.6
73.02944	9.3
73.52325	1.4
74.13786	1.6
79.95725	82.1
83.01408	2.0
83.80797	1.7
85.02954	11.5
86.00096	2.6
87.00866	9.2
91.83609	1.6
95.05032	2.2
97.02959	3.5
99.00865	10.9
101.02441	15.4
107.05013	2.8
111.00864	2.3
116.53222	1.6
121.06573	11.3
122.67422	1.4
123.04525	1.7
123.08163	31.9
123.92284	1.7
125.02451	4.0
129.88452	1.5
130.99251	1.7
132.31459	1.6
134.03732	3.7
141.01965	2.5
149.06050	2.4
150.94789	3.2
159.38962	1.6
161.04567	21.3
165.12831	7.7
176.83493	1.7
178.02682	3.5
179.87228	1.8
193.05096	2.6
193.07175	12.3
193.09007	100.0
193.12254	19.6
194.09331	2.7
208.45731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.87165	0.5
57.03451	1.1
59.01382	6.7
69.72710	0.5
69.85902	0.6
71.01386	1.5
73.02977	1.2
81.03455	1.0
85.02947	28.8
85.03458	1.0
87.00885	6.6
87.75989	0.6
93.03452	10.7
93.38943	0.7
99.04513	1.0
101.06068	0.7
109.02983	1.3
111.00904	1.3
111.04536	1.3
125.17435	0.9
126.65818	0.7
127.03994	6.0
171.03023	0.7
173.04491	1.3
191.05637	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	191.1079
Annotation	11,12,13-Trinor-4-amorphene-3,8-dione
Peak:m/z	Relative Intensity
57.03458	3.9
58.48791	1.3
59.01394	34.6
63.46666	1.5
65.03974	100.0
65.95708	1.4
68.69070	1.5
73.02969	2.4
80.80196	1.3
83.05044	1.9
83.46549	1.3
85.02955	13.4
87.00898	3.6
92.10765	3.3
93.03461	2.5
93.07099	1.4
106.04293	6.4
111.00892	14.2
118.99322	2.1
119.05013	1.9
121.06598	58.5
149.09756	3.8
173.09708	2.7
190.69655	1.6
191.05626	34.6
191.09192	2.5
191.10822	46.5
191.14391	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	191.1079
Annotation	11,12,13-Trinor-4-amorphene-3,8-dione
Peak:m/z	Relative Intensity
59.01389	1.3
69.19331	0.3
85.02969	0.5
106.58591	0.3
111.00909	0.5
147.11818	0.7
154.13687	0.4
157.33878	0.4
163.11290	1.3
191.05649	2.0
191.10793	100.0
192.11107	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
59.01390	3.7
67.01905	1.2
69.03448	0.5
71.01384	3.0
72.99311	2.1
73.02946	1.4
76.41609	0.6
83.05034	0.8
85.02953	34.6
85.03461	1.2
85.06652	0.7
87.00869	16.8
93.03455	8.8
94.46545	0.6
99.04546	1.2
101.06081	7.5
102.34706	0.6
109.02953	3.0
111.00887	19.6
111.04511	2.2
115.04022	3.6
127.04023	4.6
129.01939	1.1
129.05487	1.0
137.02365	0.7
161.00435	0.6
167.84216	0.5
171.03009	0.9
173.04579	1.1
191.05635	100.0
192.05954	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.28464	0.7
67.05549	5.3
69.03455	0.7
71.05028	1.1
72.99306	16.5
75.00886	1.1
85.02976	0.9
85.06582	10.0
87.04543	4.5
92.10216	1.2
99.04529	3.1
101.06072	100.0
111.04461	1.0
115.04004	44.2
129.05571	29.1
136.18433	0.7
137.17702	0.8
139.24350	0.8
142.41876	0.7
145.05048	6.4
147.06665	1.0
173.04504	1.1
189.57509	0.7
191.05617	27.8
194.83524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.97995	0.8
59.01388	4.5
71.01382	1.1
73.02961	1.1
85.02952	29.0
87.00877	7.1
93.03468	11.3
95.07357	0.9
101.79739	0.8
109.02929	1.6
111.00925	1.2
111.04549	1.4
118.89169	0.9
127.04004	5.8
132.90982	0.9
152.48427	0.9
171.02946	0.9
173.04579	1.9
180.87872	0.9
191.05627	100.0
192.05951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0565
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.78908	0.2
55.01920	0.2
56.40282	0.2
57.03463	0.4
59.01386	3.7
60.99323	0.2
67.01897	1.4
69.03461	0.9
71.01377	2.0
73.02957	1.3
74.97251	0.2
81.03445	1.4
83.05027	1.4
84.29417	0.2
85.02954	28.4
86.03316	0.2
87.00871	5.9
87.01357	0.2
93.03458	9.7
95.01385	0.4
96.02179	0.3
99.04532	1.5
109.02954	2.5
111.00929	0.2
111.04536	2.5
125.02437	0.2
127.04015	5.7
137.02470	0.3
155.03465	0.3
159.97133	0.2
171.02992	1.9
173.04536	2.3
191.05637	100.0
192.05972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
59.01381	2.2
60.55326	0.4
62.91057	0.4
62.98812	0.4
67.28001	0.4
71.67633	0.4
73.47778	0.4
85.02934	0.9
106.04221	0.8
111.00899	0.6
119.05067	1.7
121.02940	100.0
121.06596	0.9
122.03291	1.0
124.81400	0.5
147.04521	5.8
178.62457	0.5
179.72366	0.4
186.00241	0.4
191.03465	4.9
191.05595	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.3
59.01392	7.0
63.13764	1.1
67.01891	2.6
71.01405	1.7
71.05037	1.6
72.99294	10.0
73.02936	1.7
75.00876	1.4
85.02947	32.2
85.06614	5.1
87.00871	51.8
87.01360	2.1
87.04510	2.4
101.06071	49.1
111.00883	100.0
113.76343	1.3
115.04002	20.9
129.01958	5.3
129.05597	18.4
129.90858	1.1
131.03532	3.0
145.05086	2.3
152.85771	1.2
164.67296	1.3
173.00923	1.3
173.04575	2.4
182.87190	1.2
191.02019	10.0
191.05605	27.5
201.39534	1.3
204.69281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68195	0.3
57.03455	8.0
59.01390	3.3
60.11233	0.3
62.69608	0.3
67.01892	5.2
69.03461	0.4
71.01376	1.9
72.99310	1.4
73.02950	2.8
78.69042	0.4
81.03466	0.4
83.01415	0.4
83.05018	0.8
85.02526	0.8
85.02953	52.5
87.00876	58.8
88.01221	0.5
93.03458	6.1
99.00893	0.5
99.04496	0.8
101.02451	0.7
109.02982	0.9
111.00886	100.0
111.04526	2.1
112.01247	1.7
112.98832	0.5
117.01935	0.8
127.04025	4.8
129.01947	5.8
129.05630	0.5
130.99876	0.8
135.69809	0.4
140.33092	0.4
147.02928	0.4
147.07645	0.3
147.75348	0.4
154.99883	0.9
171.02974	0.7
173.00929	3.8
173.04607	1.5
191.02025	12.4
191.05632	71.1
192.06061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
51.88147	0.4
52.07445	0.4
57.03462	2.4
59.01389	1.3
62.48558	0.6
78.93539	0.5
83.05029	0.9
85.06609	0.6
99.08155	25.5
101.06116	0.8
127.07653	30.9
129.05583	100.0
130.05945	1.4
145.08746	4.3
171.06696	4.1
186.54979	0.6
189.07704	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0921
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
58.76416	0.3
59.01364	0.4
61.12746	0.4
69.77821	0.4
82.81651	0.4
84.15312	0.3
104.94701	0.4
108.27357	0.4
144.96173	1.6
158.03815	0.5
159.04527	3.9
173.06082	22.7
174.06783	2.7
189.09221	100.0
190.09573	3.0
206.05841	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	189.0923
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
51.28420	0.4
56.48853	0.4
59.01386	0.5
62.41118	0.3
63.78976	0.3
129.07127	0.5
143.86563	0.4
145.06641	0.4
145.42992	0.4
147.08214	0.4
173.04582	0.7
173.06088	19.7
174.06870	26.9
175.07373	0.5
189.09233	100.0
190.09543	3.2
206.05843	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96082	0.9
57.03445	10.3
57.17421	0.9
57.73874	1.0
59.01382	9.0
67.01907	6.0
67.05524	1.4
69.11761	1.1
71.01386	16.8
72.99306	14.2
73.02935	9.1
75.00906	1.0
83.01395	4.0
83.63078	0.9
85.02953	53.3
85.03461	2.0
85.06580	2.0
87.00880	50.3
87.04524	1.2
93.03470	6.1
99.00877	8.6
99.04511	2.2
101.02437	1.9
101.06075	47.7
111.00886	100.0
111.04532	1.5
111.53194	1.0
112.01219	1.3
112.98804	26.3
112.99513	1.7
115.04006	16.1
117.01951	4.7
127.04041	4.6
129.01926	10.1
129.05566	12.0
145.05090	2.2
154.99869	5.1
171.02975	1.2
173.00935	6.5
173.04648	1.2
191.02048	10.6
191.05635	82.6
192.05847	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	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
59.01387	14.6
72.45420	0.5
82.99271	0.5
85.06593	100.0
86.06921	2.2
92.10117	1.3
127.07652	19.8
128.73389	0.5
129.05574	16.3
158.57382	0.5
189.07710	10.2
200.50423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
54.24427	0.4
59.01384	86.7
65.91544	0.5
92.10764	1.9
97.06602	0.6
99.08157	35.9
127.07649	17.6
143.07112	0.7
145.08714	100.0
146.09048	1.2
187.09685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
51.09330	0.6
52.03997	0.5
53.63506	0.6
59.01384	85.0
99.08145	34.2
123.08089	1.1
125.09720	8.5
127.07635	10.6
143.10764	3.8
145.08705	100.0
187.09741	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
54.53757	0.6
57.03455	8.8
57.24412	0.8
59.01384	100.0
61.96065	0.8
66.98809	0.8
69.03465	7.5
71.05034	5.9
72.05405	0.9
72.14780	0.9
81.73980	0.8
83.05032	1.6
85.06613	2.0
97.06617	1.1
97.85111	0.8
109.06614	5.0
125.09740	8.4
127.07670	16.7
141.09259	3.4
141.86792	1.0
169.08774	3.6
187.09778	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
57.03456	75.8
59.01397	5.6
68.04530	1.2
68.36048	1.1
73.98982	1.2
77.78945	1.2
79.05521	1.4
81.07095	18.3
81.92293	1.1
83.05036	9.0
92.10863	1.6
99.04516	1.7
99.08160	100.0
100.08547	1.4
101.29321	1.6
111.00890	10.5
115.07646	1.8
122.89462	1.6
124.73143	1.2
125.06081	71.9
141.86841	8.8
142.89357	1.5
143.07051	2.3
159.87918	5.0
166.59781	1.1
169.05074	68.2
169.08742	1.6
186.85559	6.6
187.06134	38.5
187.09724	5.8
193.33643	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	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	1.1
71.05035	1.4
81.03464	7.1
81.46265	0.8
83.68958	0.9
88.88145	0.9
98.02474	1.2
99.04516	53.8
115.04021	10.9
116.03558	1.5
125.02448	100.0
143.02518	1.2
143.03534	13.1
144.03036	2.0
158.07146	0.9
187.02466	14.9
197.21704	0.8
207.45914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
50.76094	0.7
52.41010	0.7
54.06958	0.6
59.45853	0.8
63.82449	0.7
67.01892	4.0
68.28139	0.8
71.05020	1.9
79.55259	0.8
79.55757	0.8
81.03439	6.1
92.10740	1.8
92.56245	0.8
97.02933	0.9
99.04517	48.0
115.04006	12.0
125.02442	100.0
126.02777	1.5
143.03487	11.5
155.69629	0.8
187.02477	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	185.1184
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.20459	0.8
55.01883	8.0
57.03457	5.9
59.01353	0.7
61.17045	0.8
66.25223	0.6
69.03450	8.9
71.05022	9.7
76.67761	0.8
78.95918	1.7
79.05566	1.7
83.05038	7.2
85.06609	3.9
94.89675	1.0
95.05023	6.5
96.96960	1.8
97.06583	100.0
98.06932	0.9
105.07153	1.0
109.06612	1.3
113.02438	1.2
114.61687	0.8
123.08119	2.8
127.07602	0.8
137.09760	3.5
141.09186	1.2
149.09700	0.8
155.10806	4.7
185.08203	3.4
185.11732	5.3
189.05576	0.9
193.66942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41608	0.6
59.01385	80.0
60.28086	0.7
61.95883	0.6
68.00234	0.7
72.12097	0.7
80.71542	0.7
86.04535	0.7
92.10792	2.0
115.02503	3.7
117.00449	13.2
127.87029	1.4
141.86818	1.5
142.89409	6.1
143.01971	1.2
144.99954	1.5
159.01508	100.0
160.01639	4.6
180.51376	0.9
186.88257	1.1
187.00995	10.7
209.56560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26320	7.8
54.31141	7.8
55.01903	16.6
57.03460	92.2
59.01394	37.9
62.43654	7.8
65.03961	96.2
69.03471	38.5
79.20121	9.5
81.03477	56.6
83.05048	21.0
85.02965	14.0
87.04527	40.8
92.51073	8.5
93.77656	8.2
94.04253	10.7
97.02945	17.6
104.17057	10.0
105.07114	15.3
107.05025	55.1
109.02966	20.2
109.06606	53.9
110.09337	9.6
112.98816	14.2
121.06583	16.6
123.08176	17.0
138.35017	9.1
141.09235	20.7
153.05589	100.0
185.08344	12.0
185.11842	38.2
202.48907	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	185.1184
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
58.30038	0.7
59.01384	100.0
64.92254	0.7
70.44609	0.8
80.82549	0.7
81.75471	0.7
91.82112	0.9
92.10805	1.8
185.11821	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	185.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51035	2.0
59.01395	2.4
63.33215	2.2
71.01385	14.0
73.37986	2.3
83.90327	2.1
87.04469	2.3
92.10020	5.0
95.05009	2.8
97.06583	4.2
101.06075	12.8
108.62407	3.0
113.06068	45.5
123.08159	34.3
140.87166	2.7
141.09203	100.0
155.10785	4.0
183.10248	10.3
185.08128	48.4
185.11786	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
51.05482	0.3
53.20514	0.4
57.03452	1.1
57.94187	0.5
71.01381	8.4
75.25651	0.4
83.22472	0.5
84.02203	0.5
95.05043	1.1
99.04518	3.2
111.73220	0.4
111.91419	0.6
123.08159	5.5
125.06100	0.8
134.81770	0.5
141.09232	100.0
142.09584	2.2
167.07146	10.1
185.08202	66.4
186.08537	0.9
197.76428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0817
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
53.48782	0.9
56.93001	1.0
74.11922	1.0
82.68877	1.0
88.01059	0.9
123.08144	5.4
141.09207	100.0
165.51346	1.0
172.90779	1.1
177.18973	1.0
185.08179	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	185.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83437	2.5
58.90795	1.6
59.01393	2.1
59.88496	1.5
67.36129	1.5
71.01389	2.8
81.03451	16.9
95.05017	3.7
121.06599	8.7
123.08159	87.3
125.06154	3.3
141.09229	100.0
167.07228	2.0
185.08200	55.2
186.08495	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	185.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14406	4.2
55.01891	19.6
57.03457	55.7
57.19564	4.0
63.60991	4.5
65.03966	99.5
69.03465	19.0
81.03473	36.8
83.05038	29.0
94.04227	7.9
105.07117	10.3
107.05030	49.3
109.02978	27.1
109.06612	58.4
121.06618	7.1
129.73904	4.7
141.09222	7.4
153.05571	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	185.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69781	1.8
54.88138	1.9
55.46396	1.7
57.03451	3.2
60.06267	1.9
62.77189	2.3
69.03467	2.1
69.18757	1.9
71.01408	13.9
73.20711	2.2
73.81649	1.8
75.01250	1.6
81.03481	11.2
83.05075	11.8
95.05039	12.3
97.01190	8.8
97.06593	2.7
111.08160	4.4
116.83541	2.0
118.81202	2.3
121.06625	4.8
123.08166	82.9
125.06042	3.6
139.07635	9.1
141.09238	100.0
155.07141	12.3
185.08217	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.65110	0.4
52.84357	0.4
54.93078	0.4
57.10469	0.5
59.61172	0.4
61.84826	0.5
70.13850	0.4
71.01376	0.5
83.89206	0.5
85.02971	0.8
86.46599	0.5
91.46579	0.5
92.10133	1.0
92.39628	0.6
108.31424	0.5
111.00909	0.7
136.67285	0.5
152.28178	0.6
165.01849	0.5
183.13918	100.0
184.14236	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.58023	7.5
54.04937	8.1
55.37713	7.5
57.03471	17.3
59.01396	37.1
61.98840	9.0
67.01907	34.9
68.99588	8.9
71.01384	8.1
71.05023	11.1
76.88004	8.1
83.05036	11.1
85.02969	53.4
97.06593	8.2
101.02468	17.1
111.00874	41.0
111.08217	10.6
123.00851	8.5
165.02020	9.6
165.09204	17.6
183.10280	70.6
183.13916	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	185.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82473	0.6
64.90323	0.7
79.22479	0.7
84.07063	0.9
89.64423	0.7
101.26489	0.8
123.08146	1.9
129.24687	0.8
135.96896	0.8
141.09206	100.0
142.09515	1.2
183.25562	0.9
185.08171	0.9
185.11852	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52594	0.8
52.87823	0.9
57.03458	1.9
57.76672	0.8
58.83646	0.8
59.01391	7.3
69.03452	1.3
69.97389	1.0
71.05015	1.1
83.05025	2.5
85.02956	37.4
85.06588	20.7
91.47631	1.0
92.10719	1.7
97.02938	4.9
97.06567	7.7
111.08163	100.0
112.08535	1.3
113.06120	1.0
123.08145	11.1
137.09688	1.2
139.11270	4.6
143.61494	1.2
165.09213	6.4
167.07034	1.0
174.65431	1.0
183.10275	54.1
187.87819	0.9
191.04900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	20.9
59.01383	55.9
65.98567	1.1
71.02999	1.1
71.05020	80.6
73.02946	1.3
78.42288	1.2
85.02970	5.7
92.10089	1.2
94.53055	1.2
123.08169	36.4
123.09000	2.3
124.08490	1.3
137.09634	1.3
139.11313	21.4
183.10277	100.0
184.10660	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	183.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76998	0.9
57.03453	68.8
59.01376	5.1
66.40536	1.0
69.03477	5.2
71.05038	1.9
85.02946	2.2
85.06611	1.8
88.34724	1.2
91.69239	1.1
97.06601	19.7
108.19958	1.1
113.06131	1.5
121.10251	4.9
123.08166	13.9
125.06062	1.6
137.09671	1.3
139.11308	39.4
141.09232	12.7
165.09213	6.1
179.15857	1.2
183.10275	100.0
184.10562	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	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
50.75351	0.5
50.83065	0.4
57.19306	0.4
66.75941	0.5
69.66374	0.5
77.15556	0.5
79.14236	0.6
79.95739	2.0
92.05067	5.2
92.10081	0.6
94.02991	1.1
96.96018	0.8
108.04564	66.3
109.04927	1.1
120.04563	8.4
122.02457	2.2
123.03270	1.2
138.05617	100.0
139.05972	3.4
182.03104	1.1
182.04607	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	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
60.99323	0.7
69.03461	3.7
71.05035	2.7
84.58665	0.4
93.60816	0.5
97.06583	12.4
111.08194	0.6
113.06069	0.7
139.11194	0.6
153.09212	1.0
183.10271	100.0
184.10629	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	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36770	0.7
81.21096	0.9
85.56754	0.6
91.24643	0.7
100.74426	0.8
123.08169	1.8
137.09729	12.3
147.47037	0.7
151.03186	0.7
153.09222	2.9
165.09213	23.0
183.10278	100.0
184.10616	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	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85674	0.6
50.89262	0.5
54.14536	0.7
55.01882	0.8
56.20282	0.6
57.03463	4.3
59.01386	4.8
60.99308	0.9
64.01336	0.7
69.03465	1.2
71.01389	0.8
71.05026	3.4
83.05040	11.9
85.06609	1.2
86.14518	0.6
88.97272	0.7
97.06635	1.0
101.28449	0.8
103.52032	0.7
105.07075	2.4
121.06627	4.5
121.10243	31.0
123.00896	1.4
123.08174	7.9
136.67685	0.6
137.08737	1.2
137.09740	28.0
139.11296	30.3
153.00739	0.9
165.09219	8.1
180.97049	0.7
183.00548	5.6
183.10281	100.0
184.10619	3.0
193.83890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
54.32608	0.7
57.03460	0.9
59.01384	14.2
67.99937	0.7
69.03454	16.5
69.03802	0.8
71.01392	1.4
85.02976	1.3
85.06593	1.1
97.06564	0.7
111.00894	1.5
111.08166	19.9
112.16064	0.7
113.02525	0.8
121.10207	3.2
137.02480	0.7
137.09737	8.2
139.11288	13.4
152.61951	0.7
155.10799	4.7
165.09230	1.1
183.00537	0.8
183.10277	100.0
184.10507	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	181.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	20.2
57.03458	2.5
59.01385	46.3
63.43546	1.7
69.03460	10.1
71.01386	53.3
71.05034	2.2
73.02962	11.3
73.28538	1.7
82.21443	1.7
83.01393	2.2
83.05039	3.2
85.02967	3.5
89.02438	29.2
95.05047	2.4
97.02961	2.6
101.02442	28.9
111.08166	100.0
112.08560	3.2
112.61777	1.8
113.02497	1.8
113.08220	1.9
116.76606	1.6
117.48493	1.6
119.03467	3.7
125.06084	8.2
137.09740	10.6
138.02007	1.8
151.00409	3.1
180.51237	1.7
181.07188	44.9
181.08754	15.9
181.12328	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	181.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	16.4
57.13250	0.8
59.01389	23.9
69.03473	5.8
71.01382	25.7
71.05021	6.1
73.02938	9.4
83.01391	1.7
83.05032	2.6
85.02973	4.3
89.02443	15.5
92.10075	2.2
95.05020	1.8
97.02954	2.1
97.06588	1.1
98.30930	1.2
101.02443	18.0
109.06582	2.4
111.08163	100.0
113.02448	2.1
114.39801	1.3
119.03487	4.3
125.06074	7.5
131.03485	1.9
137.09727	17.4
163.11243	1.6
166.02644	1.2
167.05295	1.2
181.07169	28.4
181.08734	11.4
181.12357	9.1
182.07286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08764	1.0
55.01896	18.0
57.03462	2.9
58.00601	1.3
59.01392	40.8
67.20591	1.1
69.03476	7.3
70.18415	1.1
71.01389	42.3
71.05034	2.3
73.02956	12.8
83.01432	2.5
83.05046	5.2
85.02972	8.5
89.02448	32.4
93.03485	2.3
97.02970	2.2
98.19738	1.3
100.14722	1.2
101.02438	25.0
107.21318	1.2
111.08170	100.0
112.08532	2.9
113.02448	5.2
115.03959	1.6
119.03500	5.5
119.08640	1.8
125.06076	8.5
127.07869	1.3
137.02560	1.6
137.09723	15.0
163.06183	2.5
166.02858	1.8
181.05687	2.1
181.07198	38.0
181.08733	15.0
181.12375	8.5
195.89757	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	181.1232
Annotation	Nordavanone
Peak:m/z	Relative Intensity
50.28043	1.5
54.82685	1.5
55.01886	18.0
57.74784	1.5
59.01370	1.4
59.76997	1.4
69.03482	2.2
71.01420	1.6
71.05027	6.8
83.05037	5.8
83.61605	1.3
85.52478	1.4
87.89825	1.5
101.02471	1.9
108.71207	1.5
109.06595	1.8
111.08152	100.0
112.08499	1.7
125.06072	7.9
140.61195	1.5
168.68797	1.8
181.12350	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	181.1234
Annotation	Nordavanone
Peak:m/z	Relative Intensity
57.03459	6.5
59.01404	7.0
71.01398	19.6
83.05049	24.8
84.21165	4.1
85.06586	18.9
95.05022	37.3
97.06586	100.0
99.08179	26.2
101.02462	9.8
102.29189	4.8
113.81537	5.2
115.07632	6.1
119.26930	4.8
123.04520	30.4
124.05308	11.6
139.07692	5.7
139.11320	7.4
151.07652	7.9
152.08405	5.7
153.12822	20.7
156.35513	4.6
163.11284	53.2
165.09216	26.7
166.09962	26.7
181.07158	11.2
181.12373	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	6.1
59.01401	16.5
60.07895	2.5
63.19662	2.3
63.56421	2.5
64.06074	2.9
70.80328	2.6
71.01393	12.7
73.02974	4.9
75.02932	2.6
85.03001	3.4
85.06621	5.0
85.14859	2.5
89.02475	4.7
95.05032	100.0
95.05601	5.4
97.06606	27.8
97.35844	2.4
101.02460	12.1
117.75981	2.5
123.04553	5.7
124.05304	46.7
163.11301	5.9
181.07190	19.3
181.12379	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.01896	3.0
55.21441	2.3
55.51171	1.9
55.71777	1.9
59.01395	10.2
62.95679	1.8
63.44566	2.2
63.75565	2.4
71.01397	11.5
85.06612	6.0
89.02470	4.8
95.05032	100.0
97.06580	21.7
98.80930	2.6
101.02470	3.0
123.04549	5.5
124.05312	42.0
125.06111	2.4
163.11316	14.1
181.07159	11.9
181.12358	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	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44847	0.7
54.17760	0.7
55.01878	1.0
57.03460	1.7
59.01386	100.0
62.19194	0.9
62.31554	0.9
67.01910	6.0
69.03458	1.7
71.01379	22.4
73.02938	9.3
83.01392	1.1
83.05016	1.1
85.02956	3.4
89.02448	13.6
93.03493	1.1
93.32357	0.9
95.05042	1.1
101.02454	13.9
111.08158	1.4
113.02444	1.4
119.03514	1.0
119.08658	16.2
119.09362	1.0
121.06618	5.4
135.08203	1.7
136.05342	0.9
137.09726	42.7
151.00334	1.6
163.06122	1.2
166.02763	1.2
181.07172	21.6
181.08722	49.1
193.63693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.087
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
54.36264	0.4
54.74524	0.4
55.01897	0.6
56.80926	0.4
57.03483	0.4
57.73461	0.4
59.01393	4.7
59.01598	0.3
62.08154	0.4
67.01913	2.5
69.03481	2.0
71.01376	4.4
73.02967	2.1
76.58087	0.5
81.03456	5.2
83.05039	1.1
85.02976	0.6
89.02450	3.4
92.10714	0.6
93.03459	5.3
95.05040	2.8
101.02470	2.8
107.63845	0.4
108.02183	26.2
119.08668	7.1
121.02950	0.5
121.06577	3.5
122.03738	17.0
123.04544	7.0
125.26866	0.4
135.08145	5.3
137.02440	0.7
137.09724	100.0
138.10072	2.3
148.05341	2.9
149.06087	6.8
151.04028	0.7
153.09224	2.5
163.06281	0.5
167.00824	0.5
181.07166	4.4
181.08693	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52655	0.9
55.01887	18.5
57.03461	2.3
59.01387	23.2
63.69030	1.0
64.34986	1.1
64.53078	1.2
69.03471	6.9
71.01377	21.2
71.01720	1.3
71.05034	2.4
72.03944	1.1
73.02962	7.0
74.41916	1.2
83.01437	1.3
83.05038	2.7
85.02956	1.5
89.02450	16.7
92.10106	2.4
93.03461	1.8
93.72817	1.1
95.05048	4.7
101.02431	15.5
109.06601	2.8
111.08160	100.0
113.02457	1.4
119.03506	1.5
121.06582	10.8
125.06087	8.6
133.83571	1.2
135.08168	4.8
136.05249	1.8
137.09721	90.7
138.02051	1.2
166.02791	1.9
169.68980	1.5
181.07172	22.8
181.08740	50.6
181.12294	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	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.1
57.03461	2.5
59.01387	12.8
69.03455	8.4
71.01376	16.7
73.02946	4.4
75.54949	0.9
81.03453	5.9
83.05038	2.5
85.02975	1.8
89.02442	11.0
93.03442	1.1
95.05018	1.7
101.02435	8.6
119.03500	2.0
119.08671	10.7
121.06599	2.5
133.16728	1.0
133.20586	1.2
137.09726	45.3
153.09230	1.1
155.10789	5.1
165.58878	1.0
181.07173	12.2
181.08699	100.0
182.08974	1.8
197.64388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
53.44847	0.7
54.17760	0.7
55.01878	1.0
57.03460	1.7
59.01386	100.0
62.19194	0.9
62.31554	0.9
67.01910	6.0
69.03458	1.7
71.01379	22.4
73.02938	9.3
83.01392	1.1
83.05016	1.1
85.02956	3.4
89.02448	13.6
93.03493	1.1
93.32357	0.9
95.05042	1.1
101.02454	13.9
111.08158	1.4
113.02444	1.4
119.03514	1.0
119.08658	16.2
119.09362	1.0
121.06618	5.4
135.08203	1.7
136.05342	0.9
137.09726	42.7
151.00334	1.6
163.06122	1.2
166.02763	1.2
181.07172	21.6
181.08722	49.1
193.63693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
57.03452	1.3
59.01381	12.5
67.01896	4.2
69.03455	94.1
70.03825	0.8
71.01381	13.3
73.02946	5.0
79.78889	0.6
79.95486	0.7
85.02966	1.8
89.02434	7.7
95.05024	4.0
97.06581	1.5
101.02437	7.2
113.02454	17.2
119.08648	1.4
135.08141	9.0
137.09700	5.7
163.06244	0.9
163.07596	2.8
179.07083	1.3
181.07193	12.5
181.08701	100.0
182.09027	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	179.1078
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
59.01398	1.9
66.46431	0.4
70.04937	0.4
71.01401	1.9
89.02460	0.9
92.89227	0.4
96.32640	0.4
110.04807	0.3
117.53513	0.4
179.10786	100.0
180.11124	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	181.0872
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
55.01892	3.4
57.03456	1.0
58.96924	0.9
59.01386	33.2
67.05529	0.9
69.03462	5.3
71.01380	35.4
72.99329	1.4
73.02942	11.9
74.30031	0.9
83.01405	4.0
85.02943	7.3
89.02435	20.6
93.03481	0.9
94.36655	0.9
95.05045	4.5
97.02969	1.9
97.06606	1.3
101.02431	28.0
109.23916	1.0
111.08133	7.5
112.90292	1.0
113.02475	3.8
119.03512	1.2
135.08180	1.1
137.09720	8.3
163.06160	1.7
166.02707	1.2
181.07172	35.1
181.08717	100.0
182.09007	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	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
56.82862	1.4
57.03464	3.5
58.00616	2.4
59.01387	77.8
63.02400	2.0
65.00356	1.5
71.01379	55.0
71.05026	2.9
73.02924	2.3
81.03495	2.0
83.01405	3.3
83.05033	13.5
85.02981	3.3
85.06607	3.3
87.00886	2.5
89.02439	29.5
92.67356	1.5
93.03448	1.9
95.05029	6.4
96.96015	12.2
97.06606	2.9
99.91698	1.7
101.02422	2.1
107.01427	2.0
107.05046	9.4
109.02937	2.3
109.06593	32.1
113.02442	2.9
121.06605	8.3
123.04530	3.3
123.08191	15.5
135.04533	3.2
135.08191	6.1
136.05295	2.6
137.09720	16.4
139.04027	8.1
142.10065	1.7
146.07358	2.5
149.06097	1.8
151.00357	7.7
161.09735	15.5
163.07718	2.3
164.08386	9.3
179.07167	7.9
179.10786	100.0
180.11067	3.8
187.58113	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	179.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.4
57.03456	3.5
59.01387	80.8
63.02395	2.4
71.01381	65.2
71.05008	3.1
83.05037	15.1
85.02943	3.6
89.02449	33.3
95.05026	3.6
96.96033	16.7
97.06622	4.5
101.02477	3.3
107.05047	5.6
109.02959	3.3
109.06585	35.8
121.06604	11.2
123.04562	5.2
123.08186	15.0
135.04512	3.1
135.08163	4.6
137.05945	3.2
137.09709	25.6
139.03989	8.8
151.00368	3.0
161.09747	18.5
163.07596	4.2
164.08463	5.1
179.07184	5.8
179.10785	100.0
180.11131	3.8
184.34050	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	179.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.0
55.47338	0.5
57.03469	0.6
58.00602	4.7
59.01393	100.0
60.01703	0.5
71.01389	66.7
72.99321	3.8
73.02978	0.8
75.00873	6.7
75.01161	0.4
81.03481	0.7
83.01398	1.1
85.02953	8.1
87.00887	2.7
89.02444	34.1
89.33674	0.6
93.58727	0.6
95.01410	3.8
101.02454	7.4
111.64851	0.5
113.02448	7.5
113.71719	0.5
119.03512	1.2
133.95567	0.6
179.05606	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	179.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36333	0.7
58.00610	2.0
59.01387	100.0
60.01705	1.0
60.47643	0.8
61.62680	0.8
63.91644	0.7
71.01382	72.5
72.99310	7.9
73.02950	1.8
75.00868	30.9
75.89266	0.7
77.03522	0.7
83.01375	0.8
85.02972	6.8
87.00894	3.5
89.02439	32.3
90.98590	1.3
99.00898	3.4
101.02471	6.2
113.02452	6.0
143.03557	3.4
160.18036	0.8
161.04585	3.9
179.05640	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	179.0714
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
50.63125	0.3
56.26252	0.3
56.91666	0.3
59.01383	13.1
65.00324	16.4
67.01872	0.3
71.01374	9.4
72.99314	0.6
75.38691	0.4
80.02681	0.5
81.03491	0.6
83.01392	0.5
85.02977	0.7
85.12776	0.3
89.02441	5.2
89.65438	0.4
95.05032	3.1
101.02476	0.6
104.55155	0.4
107.05051	2.2
108.02196	0.4
110.00363	0.4
113.02465	0.9
117.07108	0.6
120.05807	7.9
133.06645	0.4
135.08162	100.0
136.08470	2.9
151.07628	3.3
153.09204	4.8
156.82368	0.3
164.04747	0.4
179.07143	31.1
180.07550	0.5
189.09755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02442	0.3
54.82755	0.3
59.01381	1.6
59.95280	0.3
65.80145	0.3
71.01381	0.5
81.88144	0.3
84.56905	0.3
85.09483	0.4
89.54392	0.3
96.96003	0.4
104.05441	0.3
113.18013	0.4
134.96078	16.0
135.96216	0.5
136.94012	100.0
137.63948	0.4
137.94084	4.3
149.85185	0.3
150.34576	0.3
151.92725	19.0
152.92751	0.4
157.37410	0.4
178.95068	41.1
179.95146	1.6
196.96176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01900	0.3
58.00606	1.3
59.01385	29.9
63.02417	0.4
71.01380	23.2
72.60287	0.3
72.80106	0.3
72.99327	1.9
73.02946	0.3
75.06837	0.3
83.01390	1.1
85.02962	2.1
87.00876	0.5
89.02440	10.7
91.05561	0.6
95.01389	0.6
96.96006	2.5
101.02424	2.2
102.66478	0.3
103.25430	0.3
107.01383	0.4
107.05060	1.7
113.02457	2.2
115.89999	0.3
117.03487	0.5
134.03734	8.3
135.04530	100.0
136.04872	2.2
142.70744	0.3
148.80391	0.3
151.00427	0.4
178.99974	0.5
179.03505	14.8
179.07169	0.3
198.57898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0609
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01393	8.1
61.93483	0.7
62.85888	0.6
64.46546	0.7
69.48689	0.6
71.05027	0.8
78.36383	0.6
79.73317	0.8
80.23000	0.7
85.06589	41.3
85.07103	1.5
87.04507	1.5
97.45251	0.8
113.06079	40.2
115.03998	100.0
129.05536	1.3
131.07117	7.3
157.05042	9.7
164.78195	0.7
175.06093	47.1
176.06522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0191
Annotation	Esculetin
Peak:m/z	Relative Intensity
54.24168	0.3
59.01381	16.9
60.52562	0.3
65.54203	0.4
71.01395	0.4
77.03946	0.7
81.03456	3.0
89.03968	12.3
93.03461	2.5
95.05041	1.7
97.96261	0.4
102.45316	0.4
103.27472	0.4
103.81846	0.4
105.03463	19.4
107.05018	0.6
108.71350	0.4
119.62804	0.3
121.02950	0.9
123.93721	0.3
127.56253	0.4
133.02954	34.7
134.03329	0.9
138.38214	0.4
139.04021	1.6
147.69112	0.4
149.02446	5.5
151.82359	0.4
162.03284	2.8
167.99115	0.3
177.01938	100.0
178.02237	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	173.0819
Annotation	Dimethyl adipate
Peak:m/z	Relative Intensity
51.94773	0.9
52.58772	0.9
53.80556	0.8
55.01892	2.6
55.12870	1.0
55.74812	1.0
57.03458	6.8
58.00597	2.7
59.01392	5.2
60.02469	0.9
64.01965	1.1
65.03970	2.4
67.01897	1.2
69.03459	17.0
69.40575	0.9
71.01383	11.5
71.05019	24.8
73.02948	38.7
77.46194	0.9
81.03455	10.0
82.19092	1.0
83.05028	27.6
85.02958	19.0
86.58845	1.1
89.25676	1.1
93.03455	99.2
94.03796	2.2
97.02938	1.5
97.06596	1.5
99.00865	10.1
99.04513	10.7
103.16737	1.2
109.06596	12.8
111.04527	28.9
111.08163	7.0
115.04027	17.0
119.56512	1.2
125.06126	1.1
127.07649	41.1
129.01950	2.6
137.02431	20.3
138.02779	1.5
143.03566	2.3
155.03551	8.5
173.04634	12.2
173.08191	100.0
174.08537	4.6
193.38368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	2-Propylglutaric acid
Peak:m/z	Relative Intensity
51.34278	0.4
52.81744	0.4
55.01879	0.4
56.66927	0.4
56.90055	0.4
59.01382	1.2
62.22346	0.4
67.83077	0.4
71.01392	0.5
73.02944	3.3
83.05032	3.2
93.03448	7.6
99.00894	0.6
101.06051	0.8
111.04518	1.9
111.08158	31.8
112.08523	0.7
129.01907	0.6
129.09215	100.0
130.09531	2.8
133.47987	0.5
137.02452	1.1
137.06136	0.5
155.03618	0.5
155.07158	7.6
173.08189	42.8
174.08565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.03463	1.7
58.00597	1.3
58.75260	0.8
59.01385	2.2
63.99879	0.8
65.03976	3.4
69.03438	1.2
70.90340	0.7
71.01378	9.2
71.05022	1.0
73.02945	36.5
81.03478	6.1
83.05026	18.0
85.02959	5.7
93.03454	100.0
99.00862	9.1
99.04531	12.5
99.79630	1.0
101.02461	1.4
106.17531	0.9
111.04511	26.3
129.01936	3.6
137.02446	22.1
143.03520	1.8
154.02574	1.0
155.03523	8.1
173.04543	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	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	3.5
57.03459	1.9
58.00595	1.9
59.01395	3.8
65.03984	1.5
67.01913	1.0
69.03481	3.2
71.01374	10.5
73.02947	40.5
81.03474	4.8
83.05037	15.5
85.02976	6.4
88.74724	0.9
92.10827	1.5
93.03461	100.0
99.00905	8.2
99.04530	11.6
111.00906	1.6
111.04536	27.9
112.98811	4.5
113.69260	1.2
129.01949	1.4
129.05571	1.2
137.02443	22.6
142.99890	2.1
143.03500	1.4
155.03499	6.7
173.04564	9.5
173.67833	1.1
189.11055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01897	5.0
57.03449	1.1
58.00595	1.1
59.01389	1.5
63.64259	0.8
64.37832	0.8
65.03985	1.8
69.03481	4.0
71.01385	7.7
73.02946	38.4
81.03470	5.7
83.05028	20.2
85.02946	8.1
93.03457	100.0
96.20400	0.9
99.00869	9.4
99.04519	9.6
109.02962	1.6
109.94735	0.9
111.04530	23.5
112.98853	1.2
129.01964	3.5
137.02452	25.0
137.03485	1.3
143.03555	3.5
155.03523	8.3
173.04570	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	173.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88129	1.3
55.01868	1.6
57.03445	1.6
57.75982	1.1
58.00596	1.8
65.03979	2.1
67.01932	1.3
69.03489	1.9
69.73204	1.1
71.01393	6.8
71.05021	1.6
73.02937	39.1
73.78581	1.2
81.03467	7.1
83.05022	18.4
85.02961	7.4
93.03442	100.0
94.03793	1.3
99.00853	9.3
99.04488	11.3
111.04517	27.1
129.01933	5.3
129.07092	37.4
137.02429	21.2
141.44730	1.2
143.03477	3.1
147.08101	2.2
155.03482	8.2
159.77394	1.3
163.49295	1.5
166.55566	1.4
173.04521	9.6
173.06061	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	173.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55530	0.7
53.00317	0.8
53.87793	0.7
55.01884	4.8
57.03449	1.4
58.00606	0.9
59.01367	10.2
64.33862	0.8
65.03967	2.2
67.01901	1.0
68.65743	0.8
68.99815	1.3
69.03460	4.6
70.17032	0.8
71.01374	16.1
71.05009	1.3
71.14060	0.8
72.99299	3.4
73.02933	39.2
80.10339	0.8
81.03459	6.3
83.05013	20.4
85.02941	6.9
87.00862	1.6
90.89273	0.8
91.18866	0.9
92.89235	0.9
93.03442	100.0
94.03795	1.6
99.00858	14.4
99.04506	10.0
110.30894	0.8
111.00896	0.9
111.04504	21.9
112.98801	44.9
124.79991	0.9
124.98779	2.2
129.01910	1.8
137.02426	21.5
142.99860	8.7
143.03477	1.8
151.46542	0.9
155.03465	7.6
160.51100	1.1
162.19525	1.0
173.04552	10.6
173.08174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
55.01882	10.6
57.03458	5.5
58.00602	2.0
58.20177	1.1
59.01383	11.9
61.03025	1.2
63.53969	1.1
65.03952	2.3
66.65891	1.2
67.01894	2.3
68.99819	1.6
69.03467	2.9
71.01383	40.4
71.05019	1.4
72.99314	9.5
73.02944	39.0
81.03454	8.4
83.01379	10.2
83.05022	19.5
85.02952	30.5
85.06575	2.5
87.00874	5.6
88.04045	2.9
93.03452	100.0
96.99289	2.7
99.00879	30.4
99.04529	8.2
101.02454	2.1
111.00889	31.8
111.04529	23.9
112.98051	2.8
112.98815	66.4
115.00390	2.3
124.98820	8.9
129.01952	8.4
129.05588	5.9
137.02470	22.0
142.99869	28.6
143.03516	1.7
155.03496	9.1
173.00847	2.8
173.04594	16.0
174.07765	1.3
174.09290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.0
55.01896	10.2
56.42577	0.6
57.03467	8.6
58.00618	3.1
58.03000	0.6
59.01393	16.5
61.50909	0.5
65.03992	3.8
67.01926	3.2
68.99853	0.8
69.03475	5.0
70.59087	0.6
71.01392	53.9
71.05049	1.2
72.99319	10.3
73.02956	39.3
74.46056	0.9
75.00896	0.8
81.03469	8.5
83.01398	8.2
83.05036	18.4
85.02964	21.4
85.06613	3.4
87.00887	7.1
88.04065	2.7
93.03461	100.0
94.03794	1.4
96.99309	3.1
97.01815	0.7
99.00880	33.3
99.04527	10.0
101.02496	2.9
105.93113	0.7
109.02965	2.2
111.00896	16.5
111.04530	28.5
112.98817	88.4
113.02515	0.7
113.99152	3.0
115.00372	4.2
124.98798	14.5
128.07216	1.3
129.01924	6.2
129.05594	9.6
134.96008	0.6
137.02440	22.1
138.25613	0.7
140.98384	1.1
142.99873	35.3
143.03531	4.0
144.64948	0.6
155.03540	9.7
173.01028	5.5
173.04573	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	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01389	2.4
64.29868	2.2
65.14941	2.3
76.73516	2.1
85.06678	2.3
109.06599	12.5
127.07647	73.0
127.08527	4.2
142.31438	2.6
143.07178	3.6
153.05614	3.4
171.02003	5.2
171.06659	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	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.35918	0.3
63.06481	0.3
64.91699	0.3
67.87006	0.3
127.07653	100.0
128.08008	3.6
153.83922	0.3
161.68457	0.3
164.07593	0.4
171.06645	20.9
171.14046	0.4
172.06987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
51.14497	2.0
52.63110	2.0
53.15457	1.6
54.67482	2.3
59.01390	2.7
65.84692	2.0
71.58152	2.2
87.28235	2.3
98.37133	2.1
109.06592	25.4
127.07652	100.0
128.07973	3.1
156.75041	2.8
171.06631	67.5
171.10349	2.8
172.07092	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	171.1027
Annotation	(+)-Decarestrictin L
Peak:m/z	Relative Intensity
50.60641	0.5
54.14632	0.5
57.03457	64.9
60.69729	0.6
64.04787	0.6
90.89283	0.6
101.06084	100.0
102.06414	1.1
111.08117	0.6
113.06113	1.0
123.77258	0.7
127.07688	1.3
127.11299	2.6
145.05136	1.3
153.09245	3.6
159.17769	0.6
167.41565	0.7
171.10275	44.8
172.10596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01900	1.1
59.85554	0.5
73.02951	100.0
85.06602	21.8
92.10706	0.9
101.52416	0.5
105.56490	0.7
171.10286	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0978
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01868	1.2
57.03453	0.9
57.32085	0.5
58.00581	0.8
58.02975	1.7
59.01377	1.4
60.28898	0.6
61.95344	0.6
65.03945	0.7
66.50458	0.6
69.03452	1.2
71.01385	3.8
73.02934	22.4
81.03456	2.6
83.05009	9.6
85.02957	4.6
93.03442	48.7
99.00876	4.8
99.04493	4.2
109.02971	0.8
111.04504	14.4
128.07965	4.0
128.10799	4.6
129.01941	1.2
130.08717	100.0
131.09067	1.7
137.02420	10.4
143.03490	1.3
155.03491	4.4
172.06956	3.2
172.09776	19.9
173.04472	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	169.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81699	6.0
56.26657	5.7
57.03453	65.4
58.61224	6.2
64.02649	5.9
69.03465	61.9
71.05013	100.0
81.07079	7.0
83.05054	7.8
85.06590	16.7
91.54025	6.9
97.06583	32.8
99.07578	8.6
99.08126	65.1
99.64197	7.2
125.02421	9.7
125.09669	9.2
130.69193	6.8
141.09262	9.1
150.41779	8.1
151.11305	14.9
153.42062	8.2
169.01341	6.5
169.12317	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	169.1235
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
50.01957	0.5
50.12128	0.5
51.71066	0.5
58.34662	0.5
61.22968	0.5
67.61007	0.6
68.12853	0.5
75.65734	0.6
87.90501	0.5
122.28227	0.6
123.12630	0.6
162.02647	0.6
169.12341	100.0
170.12692	4.1
170.97717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
59.69252	0.8
61.42942	0.6
69.03461	1.3
70.82211	0.7
73.17776	0.6
87.00890	2.9
97.02963	1.0
99.04572	1.4
106.70909	0.7
125.02449	19.9
125.09857	0.9
126.02654	0.8
145.17619	0.7
169.01414	4.2
169.12352	100.0
170.12691	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	169.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18309	0.5
55.04812	0.6
61.98824	0.6
68.99830	0.8
69.03487	0.6
71.01386	0.6
82.30029	0.6
85.05180	0.5
87.00876	1.1
98.12360	0.6
99.04491	0.9
125.02445	10.9
125.09727	1.4
126.02770	0.6
134.86659	0.6
169.01443	2.6
169.12349	100.0
170.12695	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	169.1232
Annotation	6-Hydroxy-2,6-dimethyl-7-octen-4-one
Peak:m/z	Relative Intensity
51.50092	8.4
51.88505	7.1
57.03439	88.8
58.37658	7.5
64.08599	7.9
69.03446	92.2
71.05015	100.0
81.07098	34.7
83.05002	9.0
85.06597	32.9
85.33128	8.9
90.99803	8.0
92.75417	8.6
96.41961	8.3
97.06581	17.8
99.04541	9.2
99.08131	85.8
111.94003	8.5
125.02446	17.5
130.24435	9.5
151.11256	14.5
165.13104	8.3
169.12311	40.7
173.99313	9.3
188.89433	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	169.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38049	4.6
51.59986	4.5
54.83041	5.3
57.03449	60.8
69.03459	58.0
71.05020	100.0
81.03467	6.7
81.07092	10.0
83.05035	9.3
85.06588	22.6
97.06591	13.6
99.08141	74.3
125.02441	33.0
125.09733	58.4
141.09245	8.3
144.78192	6.0
151.11259	13.2
169.01399	12.4
169.08792	10.3
169.12354	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
57.03460	1.8
58.08861	0.8
69.03467	1.0
83.05057	3.2
89.66557	0.8
96.90923	0.7
97.06539	0.8
99.04520	100.0
109.06588	0.9
123.08231	1.0
125.02465	1.3
125.09737	11.9
139.10919	0.7
169.08711	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	Boonein
Peak:m/z	Relative Intensity
50.37997	4.5
51.40699	5.0
54.59035	4.5
57.03456	42.1
67.05534	51.7
71.05014	8.7
79.78006	4.6
83.65533	5.0
93.33028	5.3
97.06561	8.4
109.06604	28.8
111.04586	7.3
125.02488	10.7
125.09750	14.5
151.07675	13.8
154.54164	5.7
158.27164	6.1
169.08698	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	169.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08323	0.8
57.03449	7.6
57.37488	0.7
58.03840	0.8
58.83990	1.0
64.35011	1.0
68.17956	0.9
69.03458	19.7
71.05013	10.2
76.24521	1.0
76.53238	0.9
83.05032	8.6
85.06593	2.1
97.06590	5.0
98.03749	1.6
99.08145	8.0
109.06618	7.4
123.08111	1.2
125.02461	4.2
125.09717	100.0
126.10106	4.1
129.01277	0.9
141.09285	1.1
169.08682	3.9
169.12326	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	169.0871
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01888	0.8
55.75718	0.9
69.03458	15.0
69.03765	1.0
69.85023	0.8
71.05036	5.4
83.05026	17.5
97.02937	1.7
97.06630	1.6
99.04528	2.2
109.06615	7.2
125.02448	21.4
125.09723	100.0
126.10056	2.0
141.89484	0.9
160.11507	0.9
169.01404	8.5
169.08713	7.0
172.11218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
52.45616	0.7
52.77696	0.7
53.60754	0.8
57.03457	5.5
67.01904	0.8
69.03465	24.5
71.05028	13.1
81.03477	0.9
81.07085	1.2
83.05035	11.2
85.06584	3.5
97.06610	3.8
98.03753	1.1
99.04526	1.1
99.08182	7.2
107.08680	1.4
109.06601	7.5
123.08160	0.8
125.02478	6.3
125.09722	100.0
126.10050	1.7
141.09236	1.4
144.54582	0.8
151.11325	1.1
169.01408	1.7
169.08656	6.1
169.12401	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	167.1441
Annotation	2-Methylisoborneol
Peak:m/z	Relative Intensity
70.47224	1.8
71.17248	1.8
97.06586	4.3
108.02164	2.9
123.08063	2.3
125.09725	12.0
139.11272	4.1
149.09686	2.7
151.11293	83.0
165.12878	34.4
167.03529	13.9
167.10789	2.5
167.14421	100.0
174.55972	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60006	2.1
57.40715	2.3
58.02980	100.0
61.98825	2.5
66.85184	2.2
73.74551	2.1
74.99395	2.1
97.03001	2.4
125.02438	38.2
125.09715	3.5
146.91431	2.9
168.11104	11.7
168.13931	3.6
169.01440	5.7
169.08748	5.5
169.12363	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	167.1074
Annotation	6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one
Peak:m/z	Relative Intensity
55.01879	6.9
62.74416	0.7
69.03448	1.4
83.05028	1.8
87.54465	1.1
95.01382	1.8
95.05019	14.5
97.06572	100.0
98.06918	1.4
123.04536	1.2
123.08164	1.2
149.09673	1.9
152.01219	1.1
167.03455	9.0
167.10794	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	167.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42966	0.6
62.90549	0.7
63.58194	0.6
67.65217	0.6
101.75135	0.7
115.71797	0.8
124.61909	0.7
153.07448	0.7
167.10789	100.0
168.11086	1.0
173.67305	0.9
176.88823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05311	0.5
58.60125	0.5
160.31673	0.6
167.10776	100.0
168.11153	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	167.1077
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
53.68602	0.4
58.68352	0.3
60.12351	0.4
63.89791	0.4
83.02561	0.4
83.29815	0.4
104.32589	0.4
112.02318	0.5
112.35527	0.4
136.37891	0.5
167.10774	100.0
168.11147	1.8
175.58980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33950	0.4
56.27380	0.5
61.17464	0.4
77.96336	0.5
92.10080	0.9
164.70354	0.5
167.10779	100.0
168.11102	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	167.1077
Annotation	6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one
Peak:m/z	Relative Intensity
55.01888	9.4
69.03454	1.2
71.05022	0.7
80.02686	1.0
83.05042	1.8
95.05028	16.8
96.56445	0.7
97.06585	100.0
98.06919	3.5
108.02158	1.2
121.06612	1.4
126.26315	0.8
139.04044	1.0
149.09689	1.5
167.03500	6.3
167.10762	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	167.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67581	0.6
56.38997	0.6
57.39910	0.6
65.00344	1.5
78.95892	0.8
79.82876	0.6
80.02683	1.3
81.03448	9.5
83.01406	4.1
91.01904	4.4
92.10794	1.5
92.53100	0.6
95.01416	0.9
95.05022	1.1
108.02180	53.2
108.16762	0.7
110.18626	0.6
111.99513	0.7
123.00892	1.0
123.03606	1.3
123.04524	41.4
124.04848	0.9
125.02422	1.2
130.26715	0.7
139.04047	0.9
151.00359	1.5
152.01163	100.0
153.01511	3.5
167.03510	42.4
167.10777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0713
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.79034	1.1
55.01888	27.8
57.13821	1.1
60.41990	1.1
67.01903	1.5
76.75200	1.4
81.03459	2.8
83.05028	100.0
84.95236	1.1
85.75028	1.4
93.03491	2.5
93.39780	1.2
95.01399	5.6
95.05050	6.6
97.06568	1.7
105.07146	2.9
106.04242	9.2
107.05042	12.8
108.02203	1.7
113.72995	1.2
121.06596	48.0
122.06915	1.7
123.00895	2.3
123.04498	1.9
123.08157	84.1
138.03229	1.8
139.04063	2.0
140.54099	1.4
167.03520	7.1
167.07162	15.9
167.10800	3.2
187.91502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
61.46458	1.1
68.99825	1.4
77.03971	5.8
93.03441	1.5
107.05051	2.4
121.02954	71.5
122.03222	1.8
123.08164	5.7
134.07350	5.6
137.02454	2.1
149.09724	52.1
164.89568	1.5
165.01958	3.1
165.05620	1.8
165.09193	8.4
165.12851	100.0
166.13245	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	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
50.24910	0.4
57.03446	2.1
59.01389	2.2
60.72881	0.4
63.27663	0.4
65.00331	2.6
70.16620	0.4
71.52962	0.5
80.02682	0.6
81.03455	26.3
83.01385	8.6
85.95848	0.4
95.05049	3.2
99.04500	0.8
107.01402	2.3
108.02220	0.7
123.04532	100.0
123.93243	0.4
124.04860	2.6
125.02444	7.5
135.83800	0.5
139.04041	0.7
145.82822	0.4
151.00368	5.0
163.04428	0.4
167.03511	76.6
168.03894	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	165.0921
Annotation	2,5-Dihydroxy-p-cymene
Peak:m/z	Relative Intensity
58.31225	0.2
67.85210	0.2
77.03957	1.1
93.03458	0.3
95.05029	2.3
95.85423	0.3
110.12814	0.3
119.08665	0.6
121.02956	100.0
122.03284	2.7
123.04572	0.4
123.08130	0.4
126.41302	0.3
134.07355	0.4
135.08163	0.6
137.09662	0.6
142.71419	0.3
147.08156	1.7
149.09731	5.8
150.06879	2.0
165.01907	1.3
165.03241	0.3
165.09213	14.8
165.11458	0.4
165.12839	10.8
166.09546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.092
Annotation	3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol
Peak:m/z	Relative Intensity
52.83752	0.3
52.84001	0.3
54.27389	0.3
54.55051	0.3
63.67638	0.3
69.94890	0.3
82.36086	0.3
85.70480	0.4
97.27808	0.3
106.04222	0.6
107.05035	100.0
108.05362	3.8
121.02957	7.8
122.03380	0.3
123.09614	0.4
127.86743	0.3
147.08168	10.7
149.06099	16.9
165.01932	0.5
165.09212	48.5
166.09555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80045	0.4
77.03977	0.7
79.34195	0.5
87.95274	0.6
89.96146	0.5
107.05095	0.4
121.02956	13.2
125.17538	0.4
137.02478	0.5
165.09210	100.0
166.05127	3.4
166.09538	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	165.092
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
78.91098	0.6
91.92130	0.6
121.02921	0.8
141.13799	0.6
147.62801	0.6
151.54697	0.5
165.09224	100.0
166.09550	4.4
172.51366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14376	0.4
56.97154	0.4
58.02485	0.4
60.00920	0.7
63.94634	0.4
69.03482	3.3
76.70539	0.4
77.03986	2.0
79.05554	0.8
81.03473	0.6
83.05064	0.8
88.59023	0.4
93.03476	0.8
103.05536	0.5
104.02702	2.7
106.04238	0.6
109.02997	0.7
109.29427	0.5
119.08681	12.5
119.39856	0.4
121.02956	30.6
122.03299	0.8
123.08167	3.1
132.05757	0.5
137.02455	0.8
147.04539	0.6
147.08208	4.2
165.01976	2.3
165.09219	100.0
166.04112	0.5
166.09622	3.8
177.03970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
51.77425	0.8
72.99305	30.5
72.99683	1.6
76.35933	0.8
76.93222	1.1
77.03985	1.4
82.32600	0.9
91.05510	1.4
92.79460	1.0
100.73145	0.9
101.03962	4.6
101.51166	1.0
104.80355	0.9
117.03477	1.2
119.05020	38.6
120.05379	1.6
121.02955	33.2
123.08271	1.2
134.75911	1.0
147.04533	100.0
148.04855	1.7
165.01889	2.4
165.05559	28.6
165.09262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0921
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
55.69643	0.5
55.90341	0.5
57.03452	0.7
73.90602	0.5
77.03989	3.0
78.77593	0.5
93.03468	1.3
101.76021	0.5
119.05054	0.5
119.08670	2.7
121.02963	77.4
122.03352	3.0
126.02937	0.5
135.08182	10.4
137.02477	0.8
137.09840	0.7
138.25458	0.7
145.54172	0.6
147.08176	5.4
163.07686	0.7
165.01962	3.4
165.09221	100.0
166.09526	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	165.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53006	0.3
56.37038	0.3
60.00909	0.4
69.03463	2.7
77.03947	0.5
79.05536	2.2
80.66523	0.4
81.03474	0.5
83.05035	0.7
84.32021	0.4
85.82452	0.4
95.01428	0.5
95.05041	0.6
103.05531	0.9
104.02666	3.6
109.02957	0.5
117.07093	0.5
117.13152	0.4
119.08671	14.0
120.08993	0.4
121.02960	20.9
122.03318	0.6
123.08186	2.4
132.05798	0.5
137.02431	0.7
146.70836	0.5
147.08144	3.7
165.01962	2.3
165.09225	100.0
166.09531	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09837	14.9
68.40707	18.0
69.46611	16.7
102.85838	18.0
120.05869	18.1
138.91614	21.5
147.08078	23.8
153.32657	19.3
163.11285	100.0
164.27713	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	163.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83167	3.9
55.01882	44.7
58.65654	4.6
59.01399	18.4
67.02435	3.8
67.87952	3.9
71.01371	4.7
75.86937	3.6
80.45796	4.3
81.46222	4.9
82.03367	3.9
85.02914	4.0
95.05028	5.4
107.05015	20.6
118.99260	6.4
119.05038	54.0
121.06587	74.3
131.40701	4.0
135.08144	6.4
145.10237	21.2
147.08185	8.2
148.05394	5.4
161.09761	4.8
162.89296	8.2
163.04036	4.7
163.06303	6.2
163.07635	24.1
163.11299	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	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.68252	0.8
61.69965	1.0
62.47274	0.8
68.76511	0.8
69.16021	0.8
72.00909	32.7
72.01275	1.5
78.18594	0.9
83.77140	0.9
88.90289	0.8
91.05553	1.7
147.04536	100.0
148.04877	1.9
164.07187	53.9
181.23726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.113
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
50.90186	4.1
51.29927	4.4
54.83022	4.6
55.01892	29.8
75.93826	5.7
76.48091	4.7
83.05054	6.9
95.05058	8.1
99.92249	4.7
107.05005	6.8
120.05746	6.2
121.06595	58.3
126.62048	5.1
135.08157	8.1
147.08168	11.0
161.09755	6.1
163.11290	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	163.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15071	8.8
58.83308	7.9
66.94327	8.7
68.80699	7.4
82.47018	8.6
92.10210	12.3
93.43377	9.0
99.02608	8.2
134.48178	11.0
137.78870	8.7
141.12706	8.2
163.11273	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	163.0764
Annotation	Benzenebutanoic acid
Peak:m/z	Relative Intensity
51.43082	0.8
62.28166	0.9
62.74734	1.1
66.25276	1.0
72.18536	1.0
77.86939	1.2
78.25407	1.1
92.10252	1.8
94.98148	1.1
105.72810	1.1
106.43828	1.3
119.05050	2.1
149.72958	1.5
162.83990	1.5
163.07646	100.0
163.11302	4.5
164.07954	2.7
164.67876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21548	0.3
63.92110	0.3
71.01399	0.3
85.95237	0.4
118.99274	0.5
119.05031	2.6
126.50838	0.3
134.03737	4.0
148.05313	11.1
149.05623	0.4
151.96022	0.3
162.89323	0.5
163.07657	100.0
164.08012	3.8
180.04243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53399	3.5
54.83019	3.7
58.77141	3.5
59.01395	7.9
72.22202	4.8
74.73196	4.2
78.98870	3.8
89.21613	3.7
91.01914	5.5
116.92097	32.7
116.92845	6.8
117.91868	5.3
118.92556	17.8
118.99263	100.0
119.05048	33.8
142.92537	7.7
159.70093	4.0
162.83910	7.5
162.89278	4.1
163.00403	5.7
163.11273	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	163.1128
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.29237	0.9
58.89555	0.8
59.01393	0.8
61.31020	0.8
69.99506	0.8
74.61853	0.8
106.96741	0.9
109.36510	0.9
118.99253	1.9
119.05020	8.3
120.05811	18.1
148.36870	0.9
152.04831	6.8
162.83957	1.1
162.89346	1.5
163.06075	1.3
163.11296	100.0
164.11641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0765
Annotation	Benzenebutanoic acid
Peak:m/z	Relative Intensity
55.51720	0.2
59.01399	0.5
59.44373	0.2
99.18690	0.2
99.59715	0.2
118.99273	0.3
119.05045	2.2
122.79891	0.3
128.44412	0.3
147.04529	1.3
148.05334	2.7
162.83978	0.4
162.89362	0.4
163.07658	100.0
164.08012	4.5
180.04303	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	163.04
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.82442	0.8
59.01397	1.6
71.01400	0.9
77.25449	1.0
91.05527	100.0
93.03461	1.1
119.05022	9.5
135.04539	12.8
162.83951	1.7
162.89383	1.9
163.04002	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	163.0612
Annotation	L-Rhamnose
Peak:m/z	Relative Intensity
55.01901	0.9
55.04140	0.7
56.88512	0.7
57.03463	1.2
59.01390	2.1
64.34567	0.9
68.26590	0.8
71.01386	10.8
71.05016	1.0
72.99310	4.1
73.02943	100.0
75.00888	4.8
81.03460	9.9
83.01382	8.2
83.05038	6.5
84.02158	0.7
87.00870	0.9
87.04530	3.5
89.02507	1.0
92.10165	0.9
99.04508	24.0
100.09947	0.8
101.02472	3.6
117.05569	1.1
143.03511	1.8
145.05081	30.6
149.98952	0.8
162.89371	3.5
163.06142	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0972
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
56.09686	2.6
56.09956	2.6
57.03445	2.9
59.01399	14.8
67.04739	2.6
71.01405	15.3
73.02966	5.4
85.02985	16.6
85.20307	2.8
105.07183	3.1
119.08712	3.3
133.10356	3.7
143.08710	4.1
146.07402	44.5
161.04716	3.4
161.09735	100.0
161.89357	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0399
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
58.48650	1.6
59.01392	3.7
61.31652	1.5
71.01399	2.0
79.03543	1.7
85.02943	1.7
91.05522	100.0
92.94981	2.0
101.82877	1.8
119.05006	29.8
127.40904	1.9
135.04492	20.8
162.89340	11.0
163.03990	11.9
163.06136	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	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56793	1.2
55.01895	3.0
57.03456	11.3
59.01387	28.5
61.69562	1.2
69.03448	1.6
71.01382	100.0
72.87663	1.3
72.99309	1.9
73.02946	23.4
75.00889	2.1
78.47704	1.3
79.86469	1.3
83.01418	3.1
84.02184	2.4
85.02950	64.7
85.03458	2.1
87.00887	2.3
89.02453	3.0
95.01385	25.7
96.01720	1.3
97.02949	2.1
97.56699	1.6
99.00885	1.7
101.02433	10.3
113.02443	35.6
131.03458	6.1
154.26620	1.3
161.04538	1.2
161.80588	1.2
182.40913	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83470	1.0
55.01895	4.9
57.03460	20.0
58.00594	1.3
59.01384	73.1
59.79507	1.4
69.03478	5.6
70.10117	1.1
71.01379	100.0
71.05021	10.8
72.99318	8.1
73.02943	42.8
73.03347	1.4
75.00874	2.4
81.03470	8.2
83.01387	16.8
84.02200	2.2
85.02953	90.7
86.03262	1.3
87.00875	35.3
87.04517	1.6
89.02440	25.6
95.01383	15.8
97.02959	5.2
99.00864	2.4
99.04513	18.0
101.02431	19.5
113.02462	30.7
115.04025	6.9
117.05567	1.9
126.75834	1.3
131.03506	29.9
143.03465	9.9
161.00992	1.4
161.02444	1.9
161.04582	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83144	1.5
55.01894	2.8
57.03461	2.2
58.61130	1.4
59.01388	15.7
71.01375	16.9
73.02944	12.4
81.03444	1.6
83.01398	5.6
85.02948	20.6
86.41274	1.1
86.45321	1.3
87.00874	2.4
89.02472	2.4
92.10098	2.9
101.02465	6.4
105.07130	3.0
109.85151	1.3
113.02470	6.5
119.08668	3.0
121.06618	2.7
130.90581	1.3
131.03519	5.7
131.05069	1.5
145.06610	2.1
146.07391	14.7
159.08186	5.6
161.04678	4.2
161.09727	100.0
161.89429	1.4
162.10081	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	159.0664
Annotation	3,3-Dimethylglutaric acid
Peak:m/z	Relative Intensity
53.66095	0.3
54.27836	0.3
54.83115	0.4
62.56886	0.3
91.55021	0.4
97.06595	2.0
98.00100	1.9
114.94856	0.4
115.07655	100.0
116.07990	1.9
116.92871	1.9
141.05574	7.4
159.06638	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	161.0454
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
51.00958	1.7
55.01879	1.9
57.03452	88.8
58.00615	2.0
59.01383	72.0
68.13853	1.6
69.03455	2.9
71.01381	47.5
71.05009	22.6
72.44372	1.7
72.99308	3.0
73.02940	27.5
75.00894	2.5
81.03449	4.4
83.01371	18.8
85.02946	59.5
87.00887	12.9
87.04522	2.0
89.02430	10.3
95.01380	3.4
96.60523	2.1
97.02949	4.6
99.04506	100.0
100.04901	2.8
101.02435	58.8
113.02441	8.5
115.03991	10.9
117.05556	10.3
124.41228	2.0
131.03497	31.1
139.21025	1.9
143.03485	33.2
143.27193	2.0
146.71544	2.0
149.76320	2.0
160.89301	4.8
161.04553	40.0
161.89409	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	158.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15007	0.4
53.49302	0.4
55.01268	0.4
55.22688	0.5
58.59628	0.4
59.01389	6.8
71.01379	0.9
73.02953	0.7
80.47674	0.5
80.96707	0.5
82.22551	0.5
84.93880	0.6
86.95447	2.5
87.55916	0.5
92.10189	0.6
99.92585	34.5
100.92599	2.2
102.72781	0.4
114.94929	21.4
115.92111	0.6
115.94976	0.9
116.92861	100.0
117.00440	0.5
117.92859	3.6
158.84720	2.1
158.89374	2.7
158.93927	11.9
159.84399	0.6
159.89423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1235
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
54.26168	0.6
55.47876	0.5
59.01391	98.9
60.01738	0.9
65.92554	0.6
71.01398	1.0
74.82316	0.6
75.00876	5.7
84.99316	15.7
85.06604	0.9
95.01454	0.7
96.96015	0.9
97.93161	0.8
99.34614	0.7
112.92239	0.9
114.93424	3.2
128.98303	1.6
156.89476	1.5
157.12346	100.0
158.08278	0.9
158.12685	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	158.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15007	0.4
53.49302	0.4
55.01268	0.4
55.22688	0.5
58.59628	0.4
59.01389	6.8
71.01379	0.9
73.02953	0.7
80.47674	0.5
80.96707	0.5
82.22551	0.5
84.93880	0.6
86.95447	2.5
87.55916	0.5
92.10189	0.6
99.92585	34.5
100.92599	2.2
102.72781	0.4
114.94929	21.4
115.92111	0.6
115.94976	0.9
116.92861	100.0
117.00440	0.5
117.92859	3.6
158.84720	2.1
158.89374	2.7
158.93927	11.9
159.84399	0.6
159.89423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	60046-50-6
Peak:m/z	Relative Intensity
50.39742	4.4
55.01895	11.1
57.03468	10.3
59.01381	68.5
66.05224	5.2
67.01885	5.3
69.03455	69.6
71.05018	100.0
73.02940	21.8
83.01400	22.5
83.04999	19.4
85.02965	24.9
85.06593	92.4
93.03486	9.6
96.96014	7.6
97.06593	6.7
104.15247	6.4
109.06534	7.4
111.08140	8.3
116.40173	5.4
135.94392	5.8
137.09744	22.4
139.07639	8.8
142.20969	6.0
153.31050	5.5
154.99873	7.4
155.10910	6.4
169.10126	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.01897	1.2
56.75377	0.7
56.95485	0.6
57.03481	0.7
59.01384	18.5
69.03458	1.4
71.01392	0.8
72.05356	0.6
73.02979	0.7
82.99632	1.2
84.09023	0.7
84.99328	2.9
85.42114	0.6
95.05033	1.6
96.96033	3.4
97.20997	0.6
97.93054	0.7
99.00859	1.1
104.84622	0.7
113.06090	100.0
114.06455	1.3
114.93425	1.0
117.67241	0.8
124.98843	1.5
156.89458	5.2
156.93907	1.1
157.05051	22.4
157.08731	1.2
157.12335	7.2
173.41069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
54.83214	0.6
59.01381	7.8
60.57692	0.6
61.25994	0.6
84.99326	0.8
85.06575	0.7
91.58763	0.6
111.08188	6.6
113.06096	100.0
114.06448	2.9
115.45637	0.6
141.11327	0.7
154.42284	0.7
156.89471	1.1
157.05109	8.0
157.08710	12.1
157.12312	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	157.087
Annotation	CIS-3-HEXENYL METHYL CARBONATE
Peak:m/z	Relative Intensity
53.60957	1.0
57.03454	20.1
59.01384	54.1
68.94750	1.1
69.03128	1.3
69.03457	9.1
71.01410	2.7
73.02944	100.0
74.02010	1.0
75.00887	2.1
76.59412	1.1
79.26957	1.1
83.05038	1.6
84.02143	1.2
84.99317	20.3
85.02967	1.4
85.06614	1.6
97.06596	2.1
99.08150	77.4
100.08521	1.4
101.06078	44.8
111.08160	11.4
112.92307	1.4
115.04297	1.1
128.98334	2.6
139.07634	5.4
156.89450	2.4
157.06683	1.5
157.08711	17.3
157.12299	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	155.0351
Annotation	4-Methylmuconolactone
Peak:m/z	Relative Intensity
50.59912	1.0
55.01903	5.7
59.01392	38.3
63.59163	1.0
65.77412	1.1
67.05544	12.3
68.70420	1.2
72.63813	1.1
72.99315	1.7
74.22530	1.1
78.95930	2.4
83.01407	1.8
83.05061	2.1
93.03469	7.9
96.96011	100.0
111.04533	73.7
112.04898	1.3
137.95880	1.2
141.99091	1.2
154.99847	2.4
155.03555	1.6
155.86617	1.6
157.55803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
52.23156	0.5
54.53600	0.5
55.01897	0.9
55.46726	0.6
59.01385	16.0
64.96021	0.5
70.65035	0.5
72.38344	0.5
73.02916	0.7
78.95927	0.5
83.01386	2.3
93.03458	1.1
96.96031	3.4
111.00921	1.0
114.40558	0.5
114.51385	0.6
119.53496	0.5
147.30930	0.6
148.09175	0.6
153.28114	0.6
154.99854	0.7
155.10794	100.0
155.86586	0.8
156.11063	2.4
160.81749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54304	0.9
55.01897	7.7
55.15844	0.9
65.03986	1.1
67.01897	1.3
71.01411	1.1
78.95910	2.7
81.03481	7.1
82.96127	1.7
83.01416	5.3
83.05023	15.0
92.66487	1.5
93.03454	100.0
94.98077	2.2
111.00874	1.3
111.02004	16.0
111.04538	19.2
115.75789	1.2
122.97501	1.1
137.02441	7.9
154.99957	2.5
155.03531	6.2
161.33249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82807	0.7
54.91044	0.9
55.01891	6.3
60.20181	0.8
65.03979	1.9
69.03456	0.8
71.01418	1.0
75.02402	1.5
76.50703	0.9
78.95916	3.5
79.95763	1.2
81.03457	5.0
82.96139	1.3
83.01385	1.4
83.05029	14.4
92.10116	4.0
93.03455	100.0
94.03778	2.2
94.98083	0.9
96.95995	1.0
111.00886	2.1
111.02020	9.6
111.04500	11.4
112.58622	0.9
124.68401	0.8
132.70619	0.9
137.02441	7.0
137.89536	1.2
155.00027	1.8
155.03542	1.6
162.41260	0.9
167.30925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0922
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
59.01365	0.5
63.80127	0.5
67.87980	0.6
69.17975	0.5
99.04515	11.8
108.02197	1.2
109.02955	20.3
110.03280	0.7
137.99602	0.7
153.01942	5.9
153.09222	100.0
154.09547	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	153.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
64.46299	0.9
81.03445	1.0
106.35924	1.2
108.02158	1.6
109.02956	43.0
109.03683	1.8
110.03302	1.0
150.91382	0.9
153.01939	12.1
153.09219	100.0
154.09612	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	153.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22923	1.1
57.03458	3.2
58.05095	1.1
59.01390	9.2
61.47916	1.4
65.03979	1.8
67.01896	2.3
80.43878	1.2
81.03484	2.9
83.05028	100.0
83.77379	1.3
83.86443	1.4
85.02964	1.6
93.07088	20.7
101.56756	1.6
108.02193	7.9
109.02223	3.5
109.02961	99.5
109.06580	2.4
110.03297	2.7
117.07119	2.2
119.04982	1.4
120.05797	2.5
124.05328	2.0
125.02461	3.0
135.08173	8.8
148.67130	1.5
152.96913	1.4
153.01968	19.3
153.09233	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	153.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50057	2.2
72.47514	2.2
81.03444	2.8
108.02186	6.0
109.02959	100.0
109.06602	4.2
110.00125	3.6
120.08146	2.4
120.58225	2.7
133.87091	2.9
135.08168	3.7
141.64809	2.5
149.67653	2.5
153.01942	24.9
153.05653	2.6
153.09209	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54850	2.0
57.65538	2.2
59.01381	3.8
81.97944	3.0
83.05032	5.3
89.49647	2.5
92.67454	2.6
99.40800	2.4
106.31612	2.7
108.02204	4.8
109.02956	96.8
117.21244	2.5
120.52306	2.4
145.20894	2.8
153.01949	18.7
153.09221	100.0
153.12856	14.8
158.70099	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	151.1128
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.01898	4.5
55.04819	2.1
59.01105	4.8
59.01385	100.0
60.17526	2.0
64.34931	2.3
66.59502	2.2
71.01401	3.6
71.05030	3.4
83.01365	3.2
95.01398	4.0
95.05034	4.5
99.91556	2.5
106.36637	2.2
107.05080	3.5
108.02212	6.0
109.06615	5.1
116.69291	2.3
122.03739	13.2
123.04539	32.1
128.79134	2.6
133.06615	2.6
133.10236	3.1
136.01651	35.8
151.04021	39.6
151.07675	29.3
151.11288	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	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
59.01384	0.3
59.77792	0.3
66.57536	0.3
71.21124	0.3
75.09747	0.3
81.03445	0.8
93.03465	0.6
95.01366	0.5
95.05014	2.5
104.72204	0.3
108.02161	2.5
109.02963	17.7
110.00146	0.4
110.03333	0.6
116.59777	0.4
122.03730	3.2
123.04524	100.0
124.04037	6.3
124.04868	3.0
135.04536	0.5
135.08189	0.6
136.04010	2.5
137.28099	0.4
137.99596	0.6
153.01949	5.6
153.05585	16.7
154.05095	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	149.1335
Annotation	Cystophorene
Peak:m/z	Relative Intensity
53.47037	9.9
55.75437	9.9
58.62434	9.0
59.01395	100.0
62.84517	9.5
67.35101	10.1
71.01391	39.5
72.12360	12.3
75.00877	10.1
76.88531	10.0
89.02454	16.8
94.99314	55.2
104.97709	16.1
121.02965	19.3
141.74768	9.4
148.96681	12.7
149.06102	39.7
149.09752	12.6
149.13397	67.7
150.00223	17.7
153.02368	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	151.0765
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.48191	0.2
52.75742	0.2
54.82619	0.2
58.45900	0.2
59.01386	2.5
60.74096	0.3
70.18191	0.3
83.55444	0.2
109.40731	0.3
111.00887	0.3
114.07246	0.3
121.02963	0.3
122.03747	8.0
123.04520	0.6
124.01639	1.2
134.03749	11.3
135.04539	9.1
136.01654	1.2
151.07658	100.0
152.03540	17.2
152.07985	2.9
153.01907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0765
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
51.71141	1.0
59.01405	13.1
60.56709	1.0
65.33068	1.1
67.01881	1.3
67.54653	1.3
69.03475	1.1
71.01370	1.7
73.80741	1.1
82.12003	1.3
84.07542	1.3
85.74239	1.3
92.10822	2.1
92.92822	1.8
95.60419	1.3
123.00838	1.8
123.04520	2.9
127.85142	1.4
134.03723	10.1
135.04515	7.7
136.01659	15.4
136.04865	3.1
151.04001	7.8
151.07655	100.0
151.87401	15.2
152.08023	2.9
161.02588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82469	2.9
55.01885	4.2
56.91891	2.8
59.01388	35.4
59.31001	3.8
69.22616	3.1
70.26117	2.9
70.50977	3.2
70.72701	2.9
71.01389	20.1
75.00877	3.5
79.05546	4.5
89.02447	13.7
94.99285	14.3
107.05056	13.9
118.86964	3.7
121.02912	17.1
121.06583	15.0
123.04317	4.1
133.06578	6.4
134.54008	3.8
147.08174	52.3
149.02388	6.8
149.06093	28.2
149.09717	100.0
150.00143	6.9
150.10040	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	149.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27895	3.9
53.83889	4.7
55.01910	6.9
59.01389	47.5
60.60245	4.0
71.01398	21.8
72.99341	7.5
76.07047	5.3
89.02470	21.4
92.10857	10.1
92.66793	5.4
93.09838	5.1
94.99320	12.8
103.97247	5.5
107.05051	12.8
120.71138	5.0
121.02966	20.7
121.06599	11.8
133.06555	6.3
133.63757	4.7
147.08183	57.0
149.04536	6.8
149.06125	29.3
149.09738	100.0
150.00211	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	149.0972
Annotation	Carvacrol
Peak:m/z	Relative Intensity
54.83136	5.4
59.01386	69.9
63.85333	4.7
71.01375	41.4
73.02966	7.1
75.00880	7.6
84.36640	4.8
86.23636	4.3
87.00842	4.4
89.02465	33.9
92.10191	11.9
94.99307	49.4
101.02428	5.5
104.97735	9.1
105.07092	6.3
107.05063	8.8
111.15349	5.7
114.39576	5.7
115.11362	4.7
119.58202	5.0
121.02971	24.3
121.06577	12.2
125.47190	5.5
134.07410	10.3
139.80550	5.3
147.08223	36.9
148.96680	7.9
149.02502	8.1
149.04727	6.3
149.06081	54.9
149.09717	100.0
150.00218	11.1
151.48515	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	149.0608
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
51.74803	0.2
52.13333	0.2
59.01395	1.2
63.15103	0.2
71.01384	0.3
83.80191	0.3
106.04243	2.1
107.05040	7.1
109.02973	4.2
117.60878	0.3
117.68816	0.3
121.02980	1.1
122.03771	2.5
133.39482	0.3
149.06090	100.0
150.00220	0.4
150.06415	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62311	1.2
55.01899	2.9
57.03457	5.9
59.01389	91.0
63.99744	1.2
67.60264	1.4
69.03477	2.9
71.01396	38.1
71.95161	1.3
72.99326	8.5
73.02950	27.7
75.00877	19.2
83.01419	2.2
85.02975	11.8
87.00892	8.0
89.02457	86.9
101.02471	1.9
103.04031	7.6
113.37309	1.3
129.01962	2.7
131.03502	30.2
132.33722	1.5
149.04570	100.0
150.04849	2.2
159.50243	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	149.0607
Annotation	4-Coumaryl alcohol
Peak:m/z	Relative Intensity
58.00601	80.1
71.01389	9.3
72.99312	8.9
78.42239	3.3
80.61980	3.1
91.05521	100.0
92.10762	4.5
94.05201	3.6
107.56773	3.3
113.47754	3.6
119.05034	7.5
131.05029	22.4
133.89268	4.1
135.04628	4.0
148.96815	4.7
149.06081	54.8
151.87839	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01879	8.0
57.79583	3.0
59.01386	30.9
59.40631	2.9
61.59850	3.3
71.01381	100.0
74.68957	3.3
75.00852	5.3
81.97299	3.5
82.06470	3.4
89.02379	3.4
99.00889	54.2
101.02462	4.3
129.01962	4.5
147.04553	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01885	6.5
59.01387	29.8
59.40235	2.4
61.98830	100.0
61.99117	5.2
71.01376	92.9
71.01773	3.6
75.00892	7.1
83.32417	2.8
84.99312	21.3
92.10099	6.3
99.00874	58.3
119.05064	3.4
125.78144	3.4
128.98288	3.6
129.01894	4.7
146.60985	2.6
147.03023	5.0
147.04529	51.0
147.08209	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	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01138	1.3
59.01389	17.4
59.51148	0.8
63.62080	0.9
69.03453	2.0
71.01381	29.1
72.99308	5.5
73.02940	23.6
75.00874	14.7
80.55499	1.2
85.02951	1.5
87.00865	13.2
87.01325	1.1
89.02438	100.0
90.02767	1.1
91.62023	1.0
101.02441	1.2
103.04011	16.9
103.23660	1.1
117.39036	1.1
131.03505	10.3
149.00902	1.8
149.04556	83.9
150.04948	1.5
161.79642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67625	1.2
59.01386	9.9
71.01389	30.0
73.02953	28.5
85.02975	1.8
87.00896	12.2
89.02452	100.0
101.02451	1.6
103.04023	16.0
107.42566	1.5
109.57207	1.4
118.34184	1.3
131.03497	2.4
149.04565	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54257	0.8
50.90365	0.8
51.25608	0.8
55.01901	1.1
56.99811	0.8
57.03450	10.3
59.01385	43.7
68.17908	0.9
71.01380	100.0
72.99304	48.0
73.18476	0.9
85.02972	1.7
86.13383	0.9
87.00871	26.7
87.04530	5.3
99.00900	1.8
101.06078	1.9
101.21152	0.9
104.59899	1.2
129.01932	8.8
129.05580	1.9
147.06680	7.5
153.80412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.95977	2.0
52.55870	2.4
55.01883	3.4
56.45827	2.3
59.01394	13.7
61.98837	17.0
62.31006	2.0
71.01389	39.9
75.00896	3.8
80.32260	2.5
84.90765	2.9
84.99353	12.6
89.01899	2.3
92.10117	4.1
96.33264	2.3
99.00886	34.0
101.02445	2.7
106.04274	3.0
119.05047	10.6
128.98323	2.8
143.77255	2.3
147.03320	3.3
147.04535	100.0
147.08165	10.0
148.04933	3.0
162.76912	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	145.0507
Annotation	2-Methylglutaric Acid
Peak:m/z	Relative Intensity
57.03460	0.8
59.01387	0.6
71.01369	0.5
73.02934	0.9
80.40810	0.4
83.05027	14.9
85.02901	0.5
101.06079	100.0
102.06406	1.0
127.00399	0.6
127.04026	5.6
145.05081	24.6
146.02495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
83.01417	1.7
94.54002	1.4
97.06578	2.1
99.08154	100.0
100.08502	2.1
102.05643	1.5
117.03433	2.1
126.64580	1.6
139.51840	1.7
145.08713	62.9
146.02498	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67190	1.1
58.91328	1.3
79.46999	1.3
83.01392	1.3
97.06604	5.7
99.08156	100.0
99.49683	1.4
100.08527	2.5
116.17722	1.3
127.07677	1.9
140.60574	1.5
145.08727	54.3
146.09108	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	146.046
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
51.64511	0.6
59.01401	0.9
63.45306	0.8
68.18866	0.5
71.01406	0.8
74.02491	1.0
102.05614	100.0
118.07867	0.8
122.28055	0.6
128.03543	39.6
129.03851	0.6
146.04613	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	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	32.8
59.01387	12.2
71.01388	13.6
72.99325	6.6
73.02962	7.6
75.93459	1.0
85.02953	100.0
87.00877	95.0
88.01182	1.3
99.00895	2.3
101.02431	15.3
103.04016	22.6
109.92868	1.1
115.00365	5.1
129.01944	60.7
140.07741	1.2
147.03008	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83101	1.8
57.03462	100.0
57.68305	2.0
58.74779	1.8
69.03452	1.9
71.01402	4.4
71.05038	10.3
73.02969	2.4
81.07119	2.7
83.05054	2.1
85.02979	2.8
92.10165	3.9
95.05035	4.5
97.06596	24.7
98.10817	1.8
99.08172	12.1
102.78826	1.9
113.02462	2.9
125.06067	26.8
143.03589	4.0
143.07159	64.7
144.07529	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	143.0713
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01889	1.1
57.03463	9.9
68.74956	0.9
71.01401	2.3
71.05033	4.9
85.02970	2.0
92.10139	4.3
95.05029	2.3
97.06593	14.2
99.08162	100.0
125.06077	21.9
143.03618	1.4
143.07156	78.3
150.56566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	5.8
56.57633	1.2
57.03453	18.4
59.01385	11.6
67.01896	2.4
67.85058	1.2
68.28866	1.4
69.03470	10.8
71.01376	23.7
71.03374	1.1
71.05042	7.7
73.02955	2.2
81.03475	6.6
83.01393	2.6
83.82381	1.2
85.02944	18.5
87.00858	4.8
87.04520	2.1
89.01484	1.8
93.94144	1.3
97.02956	5.2
99.04516	100.0
101.02419	1.7
109.11507	1.4
111.00890	13.6
113.02448	11.0
115.04010	17.1
116.02569	2.6
116.48547	1.2
121.21191	1.3
124.98830	1.4
125.02438	8.0
142.99879	2.1
143.02490	5.0
143.03520	38.6
143.05391	5.5
143.07109	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	143.0711
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
50.78950	0.6
59.93458	0.7
69.03451	1.4
71.05009	100.0
73.02938	3.5
76.69963	0.7
81.03413	2.5
83.05015	17.4
88.87545	0.9
92.10765	1.0
99.08139	7.9
110.03725	1.5
125.06050	15.0
141.52464	1.2
143.07127	45.4
144.07474	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	141.0922
Annotation	trans-2-Hexenyl acetate
Peak:m/z	Relative Intensity
56.60279	8.5
59.01390	100.0
64.36749	8.4
64.77324	9.3
75.41512	10.1
76.58071	9.1
84.68045	9.2
92.10203	15.7
105.76479	10.1
141.02039	11.3
141.09221	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08121	2.5
53.00321	15.1
53.63906	2.4
56.94332	2.2
58.00597	3.6
59.01392	2.3
62.85130	2.0
65.41847	2.2
68.33375	2.8
68.99820	3.7
71.01376	25.2
71.05014	3.9
74.62270	2.6
87.00879	6.1
92.10738	3.3
96.99326	17.5
99.04488	23.9
111.00903	15.6
112.98815	18.9
124.98824	50.8
140.98312	4.5
142.99876	100.0
158.99399	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	137.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54402	2.8
71.35655	3.4
81.03471	7.0
83.05050	3.8
92.66278	3.8
93.03448	100.0
95.05045	4.3
101.16898	3.4
108.02135	5.9
109.02959	5.5
119.08627	6.5
121.06593	23.6
122.03758	7.4
135.08133	22.3
136.86255	14.6
136.89209	19.4
137.02457	45.6
137.06071	19.9
137.09705	99.4
138.01929	7.9
138.10025	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.82217	0.3
56.79174	0.2
66.46696	0.2
70.06722	0.2
76.55465	0.2
82.01177	0.2
88.40596	0.3
92.10165	0.5
98.32224	0.3
108.02177	51.2
109.02540	0.6
138.01971	100.0
139.02295	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
53.00185	0.4
55.19480	0.5
65.60229	0.4
74.20650	0.4
80.69115	0.4
94.03795	0.9
94.76943	0.5
95.01399	0.6
108.02186	52.1
138.01979	100.0
139.02325	1.1
143.05902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1129
Annotation	2,3,4-Trimethyl-hex-3-enal
Peak:m/z	Relative Intensity
52.78549	2.6
57.03460	100.0
57.98860	2.5
59.01385	3.9
62.65322	2.7
67.01912	10.7
69.03473	18.2
71.01408	4.0
72.61201	3.3
73.61784	2.5
76.58437	2.4
78.95911	3.4
79.95774	3.7
83.05018	5.9
92.66427	3.8
94.98084	5.3
95.01390	11.8
95.05034	20.3
96.96008	12.1
97.06600	11.9
109.06600	4.3
111.00882	15.4
111.08128	4.4
120.28374	3.1
121.06590	11.7
123.08142	17.9
124.05330	7.3
137.09740	6.3
138.85965	3.2
139.00392	12.0
139.07645	15.3
139.10321	4.7
139.11299	86.9
156.83484	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	137.0242
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
59.28237	0.2
65.03953	0.8
73.55527	0.2
77.74189	0.2
81.03482	0.3
81.13442	0.2
87.03209	0.2
89.47159	0.2
90.24281	0.2
92.10238	0.4
93.03441	100.0
94.03764	1.9
105.12572	0.2
108.02165	0.4
109.02923	0.4
109.46889	0.2
112.52849	0.2
136.01628	0.7
136.89183	1.0
137.02428	17.2
137.06021	0.2
138.02776	0.2
142.08556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0299
Annotation	Threonate
Peak:m/z	Relative Intensity
52.38814	0.5
56.49943	0.4
57.61928	0.4
58.29332	0.5
59.01384	11.6
70.80603	0.5
71.01379	5.1
72.99306	14.1
75.00870	100.0
81.65266	0.5
82.22781	0.5
87.00871	7.7
87.49542	0.5
89.02435	8.5
98.74213	0.5
117.01963	5.1
135.03001	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38814	0.5
56.49943	0.4
57.61928	0.4
58.29332	0.5
59.01384	11.6
70.80603	0.5
71.01379	5.1
72.99306	14.1
75.00870	100.0
81.65266	0.5
82.22781	0.5
87.00871	7.7
87.49542	0.5
89.02435	8.5
98.74213	0.5
117.01963	5.1
135.03001	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19080	5.8
59.01418	9.7
75.00872	8.7
91.05566	10.9
93.07101	100.0
107.05071	13.9
117.07090	80.6
119.05037	12.0
120.05811	70.8
125.84718	7.2
133.06569	8.4
134.86537	52.5
134.89478	85.3
135.04526	89.9
135.08153	72.0
141.15977	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	137.0244
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
54.61710	0.9
57.72252	1.1
65.03956	2.0
68.19794	1.0
72.85748	1.1
81.48563	1.2
93.03449	100.0
136.29895	1.1
137.02473	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	137.0241
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.92033	0.7
51.01191	0.6
51.98010	0.6
53.06805	0.7
65.00325	1.2
65.03957	5.8
65.78864	0.7
67.85604	0.9
69.03447	14.3
83.01376	52.6
92.10805	2.3
93.03442	28.1
93.04015	1.4
102.01849	0.8
109.02942	18.1
111.04483	1.2
112.66192	0.8
137.02429	100.0
138.02776	1.2
142.99710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01408	1.0
61.99870	0.5
71.01390	58.0
72.01736	0.6
72.57935	0.6
72.99313	15.0
72.99696	1.0
89.02451	7.6
115.00379	100.0
133.01433	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77059	0.5
58.31782	0.5
59.01383	0.9
61.37894	0.5
71.01384	54.9
71.40847	0.6
72.99311	12.0
72.99692	0.8
82.15861	0.6
87.00881	0.9
88.54524	0.5
89.02445	6.7
96.22742	0.6
103.27975	0.5
111.35943	0.6
115.00379	100.0
126.13043	0.6
133.01439	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48956	0.4
56.98178	0.4
57.03288	0.3
57.03468	5.5
59.01392	2.8
63.19956	0.4
69.03466	0.8
71.01391	64.6
72.01740	0.8
72.99316	35.9
75.00877	12.3
85.02966	0.4
87.00896	3.6
87.04519	7.3
89.02454	8.3
92.58942	0.5
107.03647	0.8
115.00379	100.0
116.00704	2.2
133.01437	30.4
133.05078	35.5
134.01735	0.6
134.04689	5.0
140.32959	0.5
146.65636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14155	0.3
59.01357	0.3
63.19823	0.3
68.99800	0.6
69.03455	0.7
69.67181	0.3
71.01369	2.0
73.02941	1.9
78.49277	0.3
85.02950	1.4
87.04514	100.0
88.04853	2.2
100.15388	0.3
101.10332	0.3
113.02456	6.8
131.02519	0.8
131.03506	21.6
148.42894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0873
Annotation	Leucine
Peak:m/z	Relative Intensity
50.92574	0.3
54.82597	0.7
63.50228	0.4
73.02956	0.6
75.49462	0.5
84.08218	0.6
85.02985	0.7
86.03326	0.4
87.04552	0.5
88.04040	28.0
99.00915	0.5
113.06081	0.5
130.05096	1.9
130.08737	100.0
131.09070	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	131.035
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
56.05254	0.3
57.03451	1.6
59.01373	0.8
68.99823	0.6
69.03451	2.0
71.01392	0.7
73.02947	1.0
75.00887	0.4
85.02962	1.7
87.04524	100.0
88.04878	1.5
113.02460	6.4
131.03506	23.4
132.73163	0.5
148.31079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23497	1.3
52.25450	1.3
52.53422	1.3
55.01880	9.1
56.45538	1.3
57.03451	25.5
59.01393	1.6
67.01895	38.7
71.01392	2.1
73.02933	1.7
83.01410	2.3
85.02950	100.0
88.04043	9.1
90.68856	1.7
101.02432	2.1
111.00891	1.7
117.33153	1.4
128.68044	1.6
129.01942	15.8
129.84108	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73750	1.6
55.01885	18.1
57.03456	60.5
57.03714	3.3
65.03384	1.7
67.01894	100.0
73.02966	2.4
74.44170	2.0
83.15754	1.9
85.02946	31.4
88.04060	3.4
89.33624	2.1
128.90166	2.2
129.01944	11.0
130.39035	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	129.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	1.5
64.43961	0.4
71.01373	1.6
74.12813	0.4
85.02949	100.0
86.03277	0.9
92.10744	0.5
109.80348	0.4
111.56801	0.4
129.01939	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	129.0558
Annotation	3-Oxobutyl acetate
Peak:m/z	Relative Intensity
57.03466	9.3
59.01387	100.0
77.30639	1.3
77.89885	1.2
85.02959	3.1
128.90240	2.0
129.05592	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69765	1.1
53.02587	1.1
55.01895	100.0
55.11885	1.2
65.03984	1.2
67.01897	1.8
73.07624	1.2
79.99048	1.2
80.02734	1.7
81.03475	8.7
93.03448	1.8
93.06654	1.4
95.01399	9.1
95.05044	6.4
105.07103	6.5
106.04215	2.3
107.05034	21.6
108.02171	13.0
121.06593	85.0
122.03736	2.3
123.00910	9.7
123.04532	11.4
123.08165	92.1
124.08526	5.1
142.31750	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	123.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29146	5.3
55.01922	5.4
59.28764	5.2
64.32092	5.7
64.76369	5.5
80.28553	6.1
81.03459	11.1
88.49400	5.9
92.10724	7.3
95.01413	22.9
95.05025	7.3
105.07137	10.7
107.05042	37.5
109.05206	6.0
119.46059	5.7
121.06624	31.0
123.00917	7.5
123.08138	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	123.0815
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01887	100.0
55.31688	2.3
67.01884	3.4
75.84558	2.2
75.88255	2.1
80.00359	2.2
81.03454	4.0
95.05022	2.6
107.05042	18.9
121.06602	70.5
123.00864	4.5
123.08173	73.7
132.77051	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	123.0452
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
52.50073	0.7
79.83546	0.7
84.26074	0.8
92.10194	0.9
95.01364	6.8
96.06179	0.9
108.02173	100.0
109.02997	1.8
112.66433	0.8
122.03728	65.8
123.00915	7.7
123.04533	46.1
123.08251	1.3
124.04881	1.6
137.02467	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	123.0452
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
51.54582	0.7
53.78745	0.7
54.38374	0.7
54.50356	0.7
55.26785	0.6
57.91081	0.9
70.91522	0.6
75.09950	0.8
80.02697	1.4
81.03467	1.0
89.08670	0.8
93.03545	1.0
95.01389	7.8
96.22699	0.9
99.04562	1.1
108.02181	100.0
109.03045	1.4
109.29122	0.8
109.41844	1.0
121.06609	1.6
122.03740	96.4
123.00898	5.7
123.04549	62.4
123.08207	4.5
137.02480	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	123.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99690	0.3
55.57726	0.3
95.01387	4.4
95.05030	0.7
105.03474	1.7
108.02172	5.2
122.03736	13.2
123.00903	2.0
123.04526	100.0
124.04829	2.8
130.03242	0.4
136.62230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
50.15721	0.4
50.16534	0.4
53.16747	0.3
57.11308	0.4
57.46705	0.3
64.34335	0.4
65.14188	0.3
67.47260	0.4
79.05554	0.4
93.03439	0.6
95.01389	4.0
95.05022	0.8
99.10625	0.4
105.03466	1.0
108.02177	6.3
122.03741	13.2
123.00922	2.9
123.04528	100.0
124.04851	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	1161.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02968	0.3
89.03996	0.2
91.08043	0.1
92.56393	0.1
93.03458	0.4
94.56175	0.1
98.32303	0.1
101.02425	0.6
107.05045	0.2
108.02191	0.8
109.02946	0.7
109.31902	0.1
113.02493	0.6
117.03468	14.8
119.05016	11.2
121.02944	2.0
122.03733	10.7
123.04493	1.0
124.01641	0.9
129.99983	0.2
133.06563	0.3
134.03754	0.2
135.04524	15.6
136.01683	0.2
137.02441	2.5
145.02963	66.2
146.03333	0.3
147.04517	1.4
148.05351	0.7
149.06094	3.5
151.04007	1.0
153.02023	0.2
154.02704	1.9
159.04532	0.3
161.06093	5.1
163.04015	23.5
164.04750	0.9
165.05606	1.8
165.44485	0.2
166.02710	0.4
166.06332	0.8
167.07164	1.0
175.07680	0.4
176.04823	0.2
179.03513	0.4
179.07137	1.8
180.07930	20.5
181.04999	0.2
181.08527	0.2
182.05823	1.7
187.04041	0.8
190.06418	1.0
191.07166	5.8
192.07927	3.6
193.05060	0.3
193.08727	1.9
194.05840	3.9
194.09532	0.3
195.06639	2.9
195.10307	0.4
205.05138	0.2
205.08783	0.3
207.10269	0.3
209.08226	1.0
210.09032	0.4
212.06929	3.3
216.72050	0.2
223.09808	0.3
226.08557	1.6
234.69875	0.2
238.13354	0.2
242.07941	0.2
247.06091	0.3
254.05849	0.7
266.09552	0.2
282.09058	0.2
283.09775	0.8
284.03455	0.2
284.10498	0.2
285.04092	0.4
285.11292	0.3
287.12909	1.2
295.09882	0.3
297.11368	1.9
298.11908	0.2
301.14511	0.3
307.08286	41.8
308.08566	0.3
312.10370	0.2
313.10834	4.8
313.14420	0.2
314.11658	16.8
315.12299	0.2
316.13229	3.8
327.12515	0.8
328.10254	0.2
328.13226	5.9
329.13998	100.0
330.14389	1.4
331.15564	13.6
343.15540	7.7
346.10504	0.6
346.14429	0.3
361.16644	16.8
362.17014	0.3
428.96332	0.2
434.04315	0.2
491.19324	10.4
491.28452	0.9
669.25684	33.3
670.26062	0.9
897.45599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.66661	0.5
61.27600	0.6
63.40448	0.7
79.86862	0.6
92.10784	0.9
93.03465	1.4
97.98837	0.6
121.02962	100.0
122.03290	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	121.0659
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.30487	2.1
51.24524	1.9
52.67148	2.1
53.84220	2.2
59.01382	4.5
61.98832	3.9
64.93347	2.4
65.03960	29.4
80.02643	2.7
100.51421	3.1
106.04243	20.7
108.04312	2.6
121.02955	100.0
121.06599	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	0.2
85.02952	0.5
89.02421	0.5
99.04533	0.3
101.02436	0.6
102.10087	0.1
103.01908	0.2
107.01360	0.2
107.70081	0.1
113.02445	0.2
117.02615	0.1
117.03422	4.5
131.01378	0.7
151.00360	1.0
151.03943	0.2
152.00719	0.2
161.02431	0.6
163.00400	0.2
163.03998	0.6
173.02405	2.7
175.00340	5.0
175.03995	0.1
178.99817	0.3
179.03610	0.1
185.02505	0.1
191.03497	0.1
193.01326	0.2
193.06554	0.2
197.45633	0.1
199.03902	0.1
207.13904	0.6
208.14221	0.2
221.06084	0.1
237.05611	0.3
239.07014	0.2
243.03032	0.4
244.03418	0.3
249.05519	0.6
251.12779	1.2
252.13164	0.2
255.02873	1.0
256.03296	0.7
257.03424	0.5
265.05072	0.7
268.03815	0.2
269.04504	1.5
271.02371	2.6
272.02811	1.9
273.02930	1.2
281.04471	1.6
282.05350	0.7
283.06094	6.0
292.03650	0.2
293.04544	100.0
294.04886	2.5
295.05984	0.9
297.04132	0.2
300.02701	4.1
301.03192	4.3
302.03452	2.2
303.03653	1.0
309.04141	0.2
311.05606	10.4
314.04300	0.7
323.05566	1.4
335.05643	1.0
341.06650	1.2
389.75598	0.1
413.08759	18.2
414.09436	0.2
431.19312	0.6
432.19608	0.5
457.11459	1.1
505.61490	0.1
577.15631	57.1
578.16016	1.2
609.14642	1.4
610.15057	2.0
611.15222	2.4
611.25629	1.6
612.15570	2.1
612.25916	1.4
613.15845	0.8
613.26233	0.8
629.31378	0.1
738.47253	0.1
794.72571	0.1
835.53601	0.1
1111.81970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01885	0.4
59.22990	0.2
63.80419	0.2
73.02947	100.0
74.03299	0.8
75.00892	0.2
75.51035	0.2
89.91285	0.2
92.10769	0.2
97.24837	0.2
99.00880	9.0
99.92579	0.8
108.45313	0.2
116.92867	3.6
117.01936	20.8
117.92886	0.2
127.62957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	0.5
93.03468	0.1
105.40447	0.1
107.01390	2.3
108.02191	0.9
109.02966	0.8
117.03500	0.5
119.01384	0.2
121.02948	1.6
123.41429	0.1
125.02443	0.1
135.00888	0.6
147.00919	0.1
148.01637	1.0
149.02403	0.2
151.00374	10.8
152.01074	0.1
153.02002	0.1
159.04536	0.2
161.02449	0.1
163.00374	2.0
163.04077	0.2
164.01120	0.8
165.01942	0.2
167.04929	0.1
169.01419	0.7
173.02415	0.2
175.00365	0.3
175.04056	0.2
178.99866	5.3
183.04500	0.7
185.06027	0.1
187.04022	0.7
189.05594	0.2
190.02780	0.2
191.03557	0.2
192.00648	0.2
198.03238	0.2
199.04028	0.8
201.05621	0.5
203.03497	0.4
211.04031	1.3
213.01970	0.2
215.03577	0.6
216.04330	0.5
217.04965	0.1
226.02765	1.5
227.03514	2.9
229.01353	0.2
229.05037	0.7
239.03418	0.2
241.01601	0.1
242.01961	0.1
243.03000	10.1
244.03644	0.6
245.04611	1.3
254.02203	2.6
255.03001	26.6
256.03574	0.6
257.04532	0.2
271.02502	60.7
272.03143	2.9
273.04037	1.3
283.02481	1.3
283.05688	0.2
293.04630	3.6
294.04700	0.2
299.02115	1.4
300.02777	100.0
301.03540	35.5
302.03741	0.5
311.05820	0.1
337.14539	0.1
343.04581	0.9
413.08826	0.5
577.15491	1.0
609.14703	99.7
610.15009	3.6
643.79999	0.1
653.40320	0.1
723.41119	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0401
Annotation	3-Methyl-2-oxobutanoic acid
Peak:m/z	Relative Intensity
52.37320	0.5
59.01390	1.0
69.03466	3.9
71.01382	2.2
71.05022	100.0
72.05365	1.3
74.23729	0.6
89.01481	1.2
97.02941	15.1
97.93121	2.5
114.93425	6.6
115.04012	44.8
116.02541	2.4
132.46030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0762
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
53.84677	1.6
54.82554	1.7
58.00600	10.3
59.01400	1.9
66.45602	1.8
69.03443	2.8
71.01386	12.5
71.05025	3.0
73.02932	68.8
73.03295	3.5
79.02917	1.7
83.26041	1.9
85.06576	30.5
89.01488	3.3
91.01122	1.9
95.05034	2.4
96.68301	2.3
97.06588	8.3
97.93134	4.1
98.15318	2.2
113.06102	13.3
114.93382	27.5
115.04053	2.5
115.07631	100.0
116.02521	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	115.0764
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
51.71250	3.8
58.00611	26.5
62.76175	5.6
64.34319	5.2
71.01385	45.2
71.05013	5.7
72.02210	4.7
73.02943	89.8
85.06588	40.0
88.74978	5.7
89.01465	20.8
97.06589	6.4
97.93156	24.9
113.06091	11.5
114.93398	88.4
115.07661	100.0
116.02557	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0764
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
58.00607	24.6
59.01386	4.8
59.91050	3.1
68.05224	3.6
69.03471	6.1
71.01368	30.1
71.05025	5.1
73.02945	72.5
84.88980	4.3
85.06590	45.4
89.01474	19.3
95.05038	4.3
97.06588	9.4
97.93123	33.3
113.06046	9.4
114.40309	5.7
114.93412	100.0
115.04082	3.9
115.07643	75.9
116.02563	44.0
121.78502	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	1153.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03479	0.6
83.01376	2.9
91.01910	0.4
91.26102	0.3
92.66520	0.4
93.03464	0.8
96.95994	0.3
97.02931	0.8
107.05044	0.7
108.02214	0.5
109.02958	7.7
117.03479	0.9
119.05048	0.5
120.02221	0.5
121.02966	2.0
123.04536	5.0
125.02445	100.0
126.02849	0.4
130.04234	0.4
131.05034	1.7
132.02153	0.4
133.02939	6.8
135.04536	1.8
137.02458	11.8
139.04060	0.8
145.02948	0.6
146.03717	0.5
147.04576	1.5
149.02429	4.1
149.06091	0.5
150.03134	0.5
151.02847	0.6
151.04019	12.7
159.04593	2.5
161.02458	33.8
161.06096	2.1
162.03239	2.3
163.00380	4.0
163.04031	3.9
164.01163	8.8
165.01930	7.2
167.03491	1.4
173.02338	0.4
173.06053	1.8
174.03094	0.6
175.04025	16.3
176.01154	0.4
177.01936	14.2
177.05562	1.7
179.03516	2.1
183.04634	0.6
185.06061	0.8
187.04044	3.4
188.04778	1.5
189.01950	2.9
189.05618	1.5
190.02747	0.5
191.03490	1.8
191.05562	0.3
193.05130	1.7
197.05952	0.5
199.04053	5.5
201.01968	2.2
201.05560	2.7
203.03545	2.9
203.07082	3.6
205.01457	1.6
205.05081	3.5
205.06689	0.5
211.03973	1.4
213.05620	1.4
214.02827	0.7
215.03531	1.6
216.04451	0.4
217.01543	0.6
217.05103	8.9
219.03061	4.1
219.06583	1.5
225.05573	2.2
227.03500	2.6
227.07080	0.6
228.04364	0.4
229.01654	0.4
229.05074	2.3
231.03035	2.0
239.03403	0.5
241.05157	0.8
243.03008	25.2
243.06779	1.7
244.03596	0.8
245.04581	10.1
245.08250	4.9
253.05075	1.4
255.03006	8.4
256.03812	2.2
257.04495	2.5
261.04044	6.0
267.03058	0.6
269.04697	4.5
273.04099	1.4
279.02725	0.5
281.04678	2.6
282.01749	0.9
282.04868	0.4
283.02548	2.8
285.04080	3.1
285.07333	0.6
287.05658	21.7
287.08850	0.8
288.02780	0.4
288.06036	0.5
289.07254	12.9
293.04608	0.8
295.02689	0.8
295.06082	0.7
297.04242	0.8
299.05606	2.2
300.02145	0.4
305.04501	0.4
307.02676	0.5
309.04065	0.4
309.07700	0.5
311.05594	0.5
319.05969	0.5
323.05463	0.5
329.06891	0.4
337.07397	0.7
339.08862	1.9
341.06744	0.6
347.05490	0.5
361.03586	1.4
363.04858	0.8
379.08588	0.8
381.06003	0.6
387.05194	0.5
391.04657	0.4
395.07803	0.9
405.06183	5.2
407.07803	12.1
413.08859	7.4
423.07458	4.6
425.08948	6.6
431.07626	0.4
447.07285	0.4
449.08826	6.0
451.10315	4.4
467.09561	0.4
525.08417	1.6
531.08728	0.4
533.11151	0.5
543.09564	0.7
549.10608	0.7
557.11627	0.6
559.12292	0.5
569.10730	0.6
575.11987	10.4
577.13617	9.2
587.12024	1.6
693.12219	1.2
695.14081	3.6
701.15210	2.0
711.13599	0.5
713.15344	0.7
737.15717	0.5
739.17065	2.6
755.15204	0.5
821.18872	0.4
831.16052	0.8
863.18494	1.8
865.19635	3.9
983.20984	2.6
1153.25708	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	109.0659
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
55.01887	15.1
56.40837	3.0
67.01925	8.4
81.03469	14.1
91.05511	3.6
93.03490	19.4
94.04243	3.8
103.06644	3.0
105.60969	3.3
107.05028	76.2
107.05711	4.3
108.02078	3.3
109.02963	68.6
109.06584	100.0
117.05516	3.6
125.73909	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	1095.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
78.26656	0.3
83.01383	2.9
85.02953	9.8
87.00863	0.5
89.02443	100.0
89.99113	0.2
96.96006	1.1
97.02953	0.5
99.00877	6.7
101.02441	42.0
102.29568	0.2
105.66301	0.3
113.02458	12.1
113.33882	0.2
116.92854	0.4
119.03502	5.2
123.04501	0.4
124.45050	0.2
125.02446	6.4
129.01956	4.7
131.03500	81.7
143.03485	1.0
149.04564	86.8
150.04916	0.3
151.04083	0.4
161.02467	0.6
161.04507	0.5
161.05843	0.3
173.04526	1.4
177.02010	0.5
191.05629	44.9
221.06679	9.6
230.74826	0.3
239.07738	1.6
248.52304	0.2
251.07727	6.7
263.07782	1.5
275.07779	0.6
275.76550	0.3
281.08804	2.7
285.00186	0.3
289.07376	0.9
293.08813	5.1
311.09897	36.7
312.10196	0.3
411.04987	0.3
577.16193	0.4
577.25171	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	1105.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	0.4
83.26277	0.2
83.70247	0.2
85.02962	1.0
85.61427	0.2
93.03451	40.6
94.03815	0.2
95.01387	0.7
101.02459	0.7
107.01402	0.2
107.05061	0.2
108.02176	39.1
109.02958	17.1
113.02435	0.8
115.58105	0.2
115.89641	0.2
117.03427	0.4
119.05019	0.3
120.75762	0.1
121.02924	1.0
123.00869	0.9
123.04520	0.4
125.02454	0.4
133.02972	0.2
135.00844	0.2
135.04517	0.8
137.02441	73.1
138.02757	0.2
145.02979	2.0
150.03198	0.2
151.00418	0.2
151.04033	1.0
152.01157	65.0
153.01945	26.9
153.03281	0.3
161.02386	0.3
163.04047	1.2
165.01935	1.1
177.01958	0.2
179.03506	0.7
180.07935	0.7
195.02979	0.7
225.03867	0.3
297.06177	11.5
307.08307	0.7
315.07245	18.5
331.15634	0.2
360.39172	0.2
361.16690	0.4
435.09381	100.0
436.09537	1.6
583.67731	0.2
630.45251	0.2
669.26111	0.4
727.34430	0.2
868.82117	0.2
902.54095	0.2
996.61719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0451
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.70797	1.0
55.01884	55.0
65.03971	1.2
67.01892	15.5
67.99209	1.1
71.01380	5.0
72.09363	1.0
78.95899	100.0
81.03442	14.1
83.01386	98.6
83.05028	33.9
93.03459	18.0
101.56342	1.4
109.02921	1.4
110.97564	7.3
110.98511	2.1
111.00879	39.8
111.02024	1.3
111.04510	21.5
113.21037	1.2
116.12749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9857
Annotation	Trifluoroacetic acid
Peak:m/z	Relative Intensity
55.01887	0.2
57.03450	0.7
66.84990	0.1
68.99577	100.0
69.03458	10.2
71.48261	0.1
72.99311	0.3
77.51686	0.1
78.69393	0.1
84.02191	0.2
85.02955	1.3
112.98569	4.2
113.02461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0244
Annotation	Methylsuccinic anhydride
Peak:m/z	Relative Intensity
53.24338	0.3
54.11543	0.3
54.57873	0.3
55.01880	0.6
57.03450	3.2
67.01893	0.7
68.99572	67.7
69.03455	100.0
70.03791	1.4
71.01392	0.6
73.89848	0.4
84.02164	0.4
85.02946	7.7
88.46283	0.4
92.10178	0.6
94.85892	0.3
112.60443	0.3
112.97788	0.3
112.98540	2.6
113.02453	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	1141.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	7.3
98.72474	3.3
105.11797	3.3
107.01363	29.4
125.02460	29.5
146.03809	3.9
151.00372	100.0
152.01164	6.4
153.01941	22.4
159.04478	5.3
165.01935	12.4
174.03247	15.5
177.85837	3.8
178.99883	26.4
187.03918	5.3
199.03873	4.5
199.97171	3.4
200.04836	7.3
211.40804	3.1
226.02574	3.2
228.89929	3.9
244.03717	5.6
271.13425	6.4
284.03232	19.7
299.12958	21.5
311.12955	13.3
311.60712	3.4
313.14670	6.3
317.13931	5.3
325.14429	31.5
343.15649	16.5
351.12576	4.7
369.13641	13.8
484.52969	3.2
744.68036	4.0
865.43896	4.6
883.45093	29.1
989.51245	8.0
991.47144	62.8
1009.47943	56.3
1015.48010	23.9
1141.52881	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	7.3
98.72474	3.3
105.11797	3.3
107.01363	29.4
125.02460	29.5
146.03809	3.9
151.00372	100.0
152.01164	6.4
153.01941	22.4
159.04478	5.3
165.01935	12.4
174.03247	15.5
177.85837	3.8
178.99883	26.4
187.03918	5.3
199.03873	4.5
199.97171	3.4
200.04836	7.3
211.40804	3.1
226.02574	3.2
228.89929	3.9
244.03717	5.6
271.13425	6.4
284.03232	19.7
299.12958	21.5
311.12955	13.3
311.60712	3.4
313.14670	6.3
317.13931	5.3
325.14429	31.5
343.15649	16.5
351.12576	4.7
369.13641	13.8
484.52969	3.2
744.68036	4.0
865.43896	4.6
883.45093	29.1
989.51245	8.0
991.47144	62.8
1009.47943	56.3
1015.48010	23.9
1141.52881	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01405	2.1
71.01381	100.0
72.42957	1.8
77.20918	1.5
87.00919	2.4
92.10737	3.7
97.93169	3.4
114.93437	7.7
115.00350	13.8
115.03983	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	1077.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03473	0.3
83.01383	7.5
87.00869	0.3
89.02454	0.2
92.10118	0.7
92.64998	0.2
93.03450	0.3
95.01396	0.6
101.02438	0.6
103.04013	0.2
105.03473	0.2
105.15517	0.2
107.01392	31.5
108.02248	0.2
108.99319	0.3
109.02922	1.5
110.66064	0.2
111.00893	0.2
115.03981	0.2
115.65635	0.1
121.02966	0.8
122.03735	0.9
123.00873	0.6
123.04521	12.6
124.01665	1.3
125.02439	10.1
131.03554	0.2
132.02177	0.2
133.02946	5.0
134.03593	0.2
135.04521	7.1
137.02464	0.2
139.00401	0.2
139.03972	0.2
141.07016	0.2
143.03484	0.3
145.02928	0.3
147.04526	0.9
148.01733	0.2
149.02458	2.2
150.03232	6.2
151.00381	100.0
151.04001	29.7
152.01175	7.8
152.04349	0.3
153.01907	0.7
155.04988	1.1
157.06593	0.2
159.04507	0.7
161.02451	0.4
163.04034	0.2
163.06143	0.2
165.05495	0.2
167.04956	0.2
169.01410	2.9
169.06665	0.2
171.04570	1.3
173.02449	0.3
173.06078	0.7
174.03203	0.7
175.04001	3.5
176.01158	1.7
177.01949	2.1
178.99864	8.4
179.01431	0.3
185.06108	1.6
187.04018	1.0
188.04745	0.2
189.05592	1.5
191.03523	0.3
193.01407	0.2
193.05032	0.3
195.02986	0.2
195.04483	0.5
196.05339	0.2
197.06099	1.2
198.03242	0.9
199.04033	6.2
201.01897	0.8
201.05582	0.3
205.05168	0.2
205.07066	0.2
211.04034	0.7
212.04787	0.7
213.05647	2.7
215.03503	1.8
216.04251	0.2
217.05093	2.3
219.03012	0.9
223.03987	0.3
224.04485	0.2
229.05084	1.4
231.06505	0.2
239.03496	0.9
240.04416	0.5
241.05086	5.0
242.02251	0.3
243.02985	1.0
255.03221	0.3
256.03711	0.4
257.04620	4.5
258.05316	0.2
259.06174	0.8
267.02991	1.2
283.02649	0.2
284.03207	0.3
285.04083	90.2
286.04395	1.6
302.04297	0.2
303.05084	2.2
339.07043	0.3
459.15283	1.9
465.10428	9.1
471.32401	0.2
485.13229	1.9
610.15259	0.2
611.16272	80.8
612.16357	3.0
622.08118	0.2
628.87952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	0.8
73.02945	0.8
81.67284	0.3
83.01402	2.6
85.02948	4.4
87.00911	0.8
89.02438	17.7
95.01395	0.9
97.06605	0.5
99.04520	12.9
101.02447	11.5
107.01398	4.6
109.03042	0.4
109.06590	1.5
113.02454	8.9
119.03485	6.5
119.04189	0.4
125.02449	2.5
131.03525	0.7
149.02475	0.6
150.03204	2.0
151.00365	10.9
151.04036	3.7
152.01161	2.3
161.04572	0.7
165.12851	6.7
176.01294	0.4
178.99841	1.9
179.05571	0.5
189.12871	3.1
191.10773	0.6
207.11964	0.8
207.13939	25.7
209.11864	45.8
217.04959	0.5
225.15013	12.4
233.11870	0.6
251.10350	0.7
251.12924	16.8
251.15456	0.8
269.13974	100.0
270.14374	1.9
285.04065	6.3
287.14905	0.7
293.13989	1.6
296.91010	0.4
303.05191	0.7
311.15265	1.3
389.18237	0.7
431.19272	15.1
432.43719	0.5
435.09351	5.7
449.20352	86.4
450.20728	1.6
491.21725	0.6
551.23682	1.6
583.27325	0.5
611.25671	81.0
612.26416	0.6
743.52747	0.4
748.92371	0.5
749.05432	0.4
888.60541	0.5
901.29993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07503	0.2
81.03479	0.2
83.01386	8.0
85.02968	1.0
89.02478	0.2
93.03490	0.4
95.01386	1.0
95.14230	0.2
101.02453	1.2
105.03453	0.3
107.01394	29.5
108.02298	0.2
108.99316	0.2
109.02926	1.4
111.00867	0.4
113.02453	1.0
121.02965	0.9
122.03729	1.0
123.00883	0.7
123.04523	9.6
124.01656	2.0
125.02437	13.8
133.02959	4.6
135.04517	3.5
137.02403	0.3
139.00378	0.3
139.03970	0.3
141.01949	0.3
147.04539	0.9
149.02422	2.3
150.03236	6.7
151.00380	100.0
151.04001	24.1
152.01163	12.3
152.04395	0.3
152.43361	0.2
153.01959	1.3
155.05052	0.3
157.06589	0.2
159.04532	0.4
161.04579	0.7
163.04034	0.2
169.01425	4.2
169.06606	0.2
171.04523	0.8
173.06009	0.2
174.03203	1.2
175.04021	3.6
176.01099	1.5
177.01942	2.9
178.99869	18.9
180.44519	0.2
181.49605	0.2
185.06119	1.2
187.04059	0.3
189.05598	1.2
191.03542	0.3
193.05080	0.3
197.06116	0.8
198.03223	0.9
199.04021	4.5
201.01920	1.0
201.05644	0.2
211.03970	0.4
213.05643	1.8
215.03542	1.2
216.04097	0.2
217.05118	2.4
219.03024	0.9
229.05029	1.2
239.03368	0.3
240.04427	0.2
241.05087	3.6
242.11470	0.2
243.02956	0.4
255.02977	0.9
256.03598	0.3
257.04599	3.1
258.05328	0.3
259.06171	1.0
267.02933	0.9
275.05722	0.8
283.02679	0.3
284.03156	0.3
285.04077	67.8
286.04517	1.5
302.04364	1.0
303.05124	4.8
339.07187	0.4
445.13614	2.9
465.10489	18.1
466.10760	0.4
471.11487	1.0
497.41479	0.2
581.61157	0.2
597.14752	74.8
598.14862	2.4
770.15466	0.2
970.27472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.04
Annotation	2-Hydroxy-2-methylpropanoate
Peak:m/z	Relative Intensity
51.13338	0.2
54.82708	0.2
57.03455	100.0
58.03780	0.3
59.01389	2.9
62.36085	0.2
73.02943	13.7
73.03357	0.5
82.99669	0.2
85.02950	2.1
87.00899	0.3
90.15788	0.2
96.69497	0.2
100.25951	0.2
103.04010	89.5
104.04354	0.2
105.24665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02971	0.2
81.03510	0.1
82.89713	0.1
83.01383	1.4
83.25053	0.1
85.02956	0.6
88.39238	0.1
89.02470	0.4
89.88375	0.1
93.03448	0.2
95.01409	0.2
99.00891	0.1
101.02472	0.2
103.04031	0.1
105.03461	0.1
107.01391	6.6
109.02984	0.5
111.00885	0.1
113.02503	0.1
117.03451	6.0
119.05059	0.1
121.03004	0.2
123.04516	2.2
124.01662	0.6
125.02441	5.5
128.41203	0.1
131.01418	1.0
133.02968	1.4
135.04518	0.9
137.02417	0.2
145.02956	0.2
147.04503	0.4
148.12473	0.1
149.02466	1.0
150.03235	2.5
151.00381	23.9
151.04005	7.0
152.01183	2.3
153.01898	0.2
159.04535	0.2
161.02417	0.8
163.00409	0.4
163.04053	0.8
169.01424	0.6
173.02434	3.6
174.03325	0.1
175.00371	5.9
175.03981	1.0
176.01122	0.4
177.01926	0.5
178.99864	2.5
185.02403	0.2
185.06139	0.2
189.05504	0.4
191.03496	0.1
193.01451	0.1
193.06604	0.2
197.06172	0.1
198.03250	0.2
199.04016	0.9
201.02049	0.2
203.03589	0.1
204.97563	0.1
211.04166	0.2
213.05617	0.5
215.03595	0.4
215.07167	0.1
217.05008	0.9
221.06108	0.6
229.05022	0.1
237.05647	0.2
239.07219	0.2
241.05130	0.6
243.03026	0.1
249.05646	0.9
251.03372	0.1
255.02861	0.2
257.04605	0.5
259.06107	0.2
265.05063	0.7
267.03180	0.1
268.03693	0.2
269.04605	1.6
271.02509	0.1
275.05875	0.4
281.04602	1.4
282.05249	0.8
283.02939	0.2
283.06155	5.5
285.04077	18.1
286.04358	0.1
293.04596	100.0
294.04947	2.1
295.06186	0.8
297.03958	0.2
300.02731	0.1
303.05185	0.6
307.05997	0.1
309.04248	0.2
311.05664	9.4
312.05954	0.2
314.04370	0.9
323.05634	1.6
335.05630	1.2
339.07257	0.7
339.50021	0.1
341.06665	1.1
353.06973	0.1
413.08838	15.7
414.09067	0.4
437.11050	0.5
447.09454	0.2
457.11584	0.9
463.08820	0.2
464.09457	0.2
465.10443	20.8
466.10861	0.4
577.15729	46.4
578.16028	1.7
649.24231	0.1
699.86542	0.1
1033.76807	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
84.54959	1.5
118.52067	1.5
133.02971	11.0
144.66605	2.0
151.00401	7.7
152.32341	1.7
153.19467	1.7
154.04555	1.5
163.04018	2.3
173.17441	1.6
175.00378	4.0
175.04062	2.0
187.28889	1.7
206.64050	2.0
209.86542	1.7
284.03308	6.9
285.04141	13.2
297.04114	20.2
298.04929	14.2
299.05664	24.0
309.04092	78.1
327.01282	3.5
327.05154	89.9
339.05148	2.8
357.06284	34.0
429.08270	10.8
435.09586	2.4
473.11200	11.7
548.26843	1.7
593.15240	100.0
612.48523	1.8
746.53510	1.8
791.50427	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	1029.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
100.80326	0.5
102.95129	0.5
107.01385	0.6
109.02942	1.1
125.02423	0.7
131.01421	0.6
133.02931	12.8
146.10870	0.5
147.04512	0.8
149.02383	0.9
151.00339	3.4
151.03899	0.5
161.02435	0.8
163.00345	2.1
163.04042	2.4
164.19374	0.5
165.01851	0.9
173.02412	1.0
175.00314	3.0
175.03975	2.3
191.03497	1.1
193.01440	2.0
199.04047	0.7
201.01843	0.7
213.05402	0.8
237.05519	0.9
239.03516	0.6
253.05161	0.7
265.05042	2.2
267.02927	2.5
271.06247	0.5
281.04730	0.5
284.03293	7.3
285.04037	10.0
297.04022	18.4
298.04788	15.1
299.02393	0.9
299.05594	17.4
309.04059	71.3
310.04321	1.7
311.05649	4.1
327.05093	87.8
328.05444	0.7
339.05090	5.0
341.06793	0.6
341.13470	0.6
357.06177	32.9
369.06213	1.2
429.08298	10.8
435.09177	1.9
449.11008	0.8
473.10965	9.3
593.15155	100.0
594.15619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.0
71.30253	0.2
73.02971	0.3
81.50031	0.3
83.01396	1.9
85.02959	1.4
89.02437	1.1
107.01385	5.4
113.02522	0.3
117.03448	6.6
117.67587	0.2
124.01653	0.5
125.02437	3.1
126.33586	0.3
131.01405	0.6
133.02969	0.3
134.03674	0.3
135.04547	1.9
135.99641	0.2
139.00340	0.3
149.02431	0.3
151.00381	13.0
152.01166	11.2
161.02435	0.5
163.03979	0.5
169.01431	2.6
173.02437	3.7
175.00366	6.2
177.05562	0.3
178.99867	11.2
179.03455	0.6
179.05464	0.2
193.01457	0.4
225.05649	1.2
241.05165	0.3
249.05437	0.4
251.03473	0.2
259.06161	1.8
269.04581	29.9
270.05139	0.4
281.04614	1.7
282.05392	0.4
283.06125	5.6
287.05634	0.6
293.04596	100.0
294.04919	3.1
295.05865	0.5
309.04102	0.3
311.05664	10.4
314.04245	1.2
323.05811	1.9
335.05692	1.2
341.06708	1.2
413.08832	19.9
414.08975	0.3
449.10992	30.6
457.11417	1.0
505.58627	0.3
577.15741	48.3
578.15826	2.3
579.16907	0.3
857.66272	0.3
881.21088	0.3
903.90009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.623
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	2.3
73.02977	0.4
83.01416	0.4
85.02974	0.7
87.00885	0.3
89.02443	2.7
101.02460	3.8
109.16814	0.3
111.04544	0.3
113.02442	1.7
119.03514	0.6
125.02412	0.4
147.32722	0.3
161.04559	1.5
179.05592	0.5
235.08224	1.1
253.09337	11.5
275.20413	0.5
277.21756	100.0
278.22058	1.4
513.30670	0.4
530.54401	0.3
559.93036	0.3
655.89703	0.3
850.77643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96023	0.9
107.01391	2.6
108.02164	3.2
109.02959	1.0
111.48989	0.6
121.02925	2.4
130.14233	0.6
135.00890	0.6
144.78662	0.6
146.64011	0.6
151.00366	11.0
152.01144	0.9
163.00360	1.3
178.99866	6.0
194.23830	0.6
200.31226	0.6
211.04135	1.2
226.02827	0.8
227.03473	3.0
229.04956	0.8
243.02936	9.5
245.04453	1.1
254.02121	3.1
255.00464	1.2
255.03015	26.1
271.02509	55.2
272.03082	1.0
283.02441	1.2
293.04630	5.6
300.02780	100.0
301.03546	33.4
302.03790	1.1
359.76724	0.7
409.08102	0.8
577.16626	1.0
609.14740	84.5
610.15167	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	1019.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	2.3
86.37914	1.7
89.02451	9.0
93.61306	1.7
131.03484	1.8
149.04546	2.9
283.07013	2.4
283.09775	6.9
288.02716	2.0
311.09393	26.6
325.10828	2.4
326.11588	22.2
341.13992	31.8
375.47113	2.0
527.16986	100.0
657.76056	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	1023.643
Annotation	Unknow
Peak:m/z	Relative Intensity
80.84602	0.6
83.05049	2.3
92.10788	1.5
101.02457	3.0
103.65698	0.6
113.02502	0.7
165.38072	0.7
169.19092	0.6
209.11861	55.2
227.12900	6.3
235.08276	4.8
253.09290	5.2
277.21756	87.5
280.14575	0.6
299.20197	100.0
300.20319	0.8
448.19464	0.7
513.31207	1.3
627.37042	0.7
809.09192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80531	0.2
71.01379	4.7
73.02966	1.0
77.60218	0.2
81.03463	1.2
83.05043	1.7
85.02943	3.2
87.00873	2.6
93.03454	38.2
95.05001	0.3
96.96015	0.4
96.99362	0.3
99.00868	1.0
99.04516	0.3
101.02428	0.4
107.05014	0.3
108.02187	1.0
109.02966	1.6
111.00935	0.5
111.03362	0.3
111.04526	7.3
113.02459	0.4
115.00376	4.2
117.03465	4.6
119.05019	17.3
121.02981	1.4
122.03725	1.5
123.04511	1.1
125.02431	1.0
127.04029	1.1
129.01945	0.6
130.04274	0.4
131.05049	1.3
133.02965	0.6
134.03767	0.4
135.04520	8.9
136.05235	0.3
137.02428	4.2
143.05028	5.7
145.02962	16.6
145.06592	2.8
147.04538	1.4
149.06029	2.0
150.03217	0.4
151.04015	0.5
155.03520	6.1
158.03737	0.6
159.04520	1.5
161.06096	4.5
163.04018	15.3
165.05547	0.5
166.06418	0.5
166.95576	0.3
167.07156	1.5
171.03162	0.3
171.04463	1.9
173.04558	62.7
175.07732	0.3
177.05533	0.4
179.03505	0.5
179.07103	2.3
179.36815	0.3
180.07930	23.7
181.08397	0.2
182.05885	1.4
183.08124	0.3
190.06342	1.0
191.05634	23.9
191.07097	1.2
192.07938	4.5
193.05113	0.4
193.08714	1.8
194.05870	3.7
194.09416	0.5
195.06633	3.8
195.08144	0.4
195.10272	0.4
205.05017	0.4
207.10118	0.3
209.06107	0.6
209.08206	1.3
210.06903	11.8
210.08920	0.6
211.07675	100.0
212.06776	3.4
222.06940	1.4
223.07684	6.0
223.09756	0.5
225.09651	0.3
226.08514	1.5
229.76056	0.3
235.07666	4.1
236.08405	0.6
237.09229	12.8
237.11586	0.6
238.10004	1.0
239.10899	0.9
247.07721	0.5
250.06390	0.6
253.08823	2.6
254.05884	0.4
259.04630	0.4
263.07260	1.0
264.07846	1.9
265.08743	16.4
271.09448	0.4
283.09766	1.2
295.09802	0.4
297.11301	1.8
307.08102	4.8
309.07764	6.8
313.10889	4.4
316.13263	4.0
324.10107	1.3
325.10803	0.4
327.08823	3.8
327.12466	0.5
328.13193	6.3
331.15564	15.4
337.09421	4.5
343.15530	10.4
346.14374	0.6
347.14978	1.2
349.10349	0.3
361.16641	44.2
362.16898	1.0
367.11905	3.9
379.10373	0.9
427.14050	3.2
438.42255	0.3
465.81677	0.4
471.12894	1.1
523.21771	1.6
621.22113	2.3
641.03748	0.3
645.17950	1.1
669.25568	4.5
833.30585	13.7
846.13000	0.3
1007.35596	13.5
1008.35516	0.4
1037.14172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05656	0.1
71.01386	2.1
73.02962	0.2
73.11655	0.1
81.03471	0.7
83.05045	0.9
85.02948	3.2
85.03392	0.2
87.00871	4.5
87.01356	0.2
93.03457	22.9
95.01386	0.2
96.96028	0.2
96.99319	0.3
99.00867	0.7
101.02445	0.7
107.05051	0.2
108.02200	0.2
109.02972	0.8
111.00919	0.2
111.04536	3.3
113.02442	0.6
115.00380	2.2
117.03476	1.1
119.05029	2.0
121.02965	0.7
122.03710	1.1
123.04560	1.1
125.02408	0.6
127.04025	0.7
129.01941	0.6
130.04265	0.2
131.05042	0.6
133.02948	0.2
134.03801	0.2
135.04526	5.4
135.66391	0.2
137.02443	1.8
143.05016	2.5
145.02962	2.0
145.06540	0.2
147.04552	0.4
149.06081	1.0
151.04044	0.8
154.02663	0.2
155.03514	1.5
157.01436	0.7
158.03734	0.2
159.04507	0.3
161.06093	1.9
163.04033	2.4
164.04828	0.3
166.02750	0.2
167.07159	0.3
171.04649	0.5
173.04562	10.7
175.07590	0.2
179.03574	0.3
179.07175	1.5
180.07930	13.9
181.08583	0.2
182.02223	0.2
182.05843	0.9
183.08142	0.3
190.06386	0.7
191.05640	27.2
192.07922	2.2
193.08710	1.4
194.05875	2.7
195.06592	2.1
196.05295	0.2
207.10452	0.2
209.06090	0.6
209.08183	0.6
210.06902	12.0
210.08716	0.4
211.07680	100.0
212.06686	2.1
222.06963	0.6
223.07825	1.2
223.09712	0.3
225.11189	0.2
226.08456	0.9
235.07651	1.3
236.08322	0.2
237.09248	3.2
239.10657	0.7
242.08044	0.3
250.06364	0.3
253.08679	0.4
254.05878	0.3
263.06982	0.2
265.08734	5.8
283.09717	0.3
286.98380	0.2
293.04587	0.3
297.11447	1.0
309.07742	1.6
313.10852	2.4
316.13187	1.9
317.13843	0.6
324.10010	0.2
327.08841	2.6
327.12393	0.3
328.13226	3.3
329.13708	0.2
331.11621	0.3
331.15579	9.0
337.09769	0.2
343.15533	5.1
346.14209	0.3
347.15060	1.5
361.16632	27.4
362.17001	0.3
367.12015	0.6
427.14090	0.3
471.13211	0.2
501.13895	0.3
523.21924	0.8
528.08466	0.2
568.68414	0.2
577.15466	0.7
640.89648	0.2
645.18225	1.4
708.90601	0.2
795.27808	0.3
833.30170	2.6
1007.35602	18.4
1008.36432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	28.5
71.01324	0.3
73.02888	1.8
73.22940	0.2
75.04460	1.8
79.05478	1.5
81.03395	1.3
83.04958	0.4
83.12392	0.2
85.02889	24.2
87.04448	21.4
89.11555	0.2
91.05472	1.9
93.03435	0.2
95.04932	0.8
96.04449	0.5
97.02869	27.2
98.06025	0.3
99.04411	0.9
101.02357	0.3
102.05512	0.2
103.05448	7.9
105.07001	4.2
107.04935	13.9
107.08559	0.4
109.02862	1.3
111.04419	0.8
115.03909	27.5
115.05418	1.8
117.06977	1.0
119.08516	0.4
120.05672	1.1
121.06487	0.9
123.04421	0.3
124.05174	0.2
125.05915	0.3
125.23729	0.2
126.05486	0.5
127.03876	2.6
129.06987	0.5
131.04889	2.4
131.08586	0.3
132.05612	0.3
133.04941	20.7
133.06523	0.9
135.04440	0.3
135.08023	12.7
137.05948	1.1
139.03883	3.8
139.71698	0.2
144.05685	0.5
144.06544	2.2
145.04941	2.3
145.06441	1.2
145.07523	0.5
147.04379	0.4
147.08008	1.6
148.05093	0.4
150.07603	4.3
153.07010	0.2
154.06224	47.1
155.08528	0.2
159.08008	1.0
161.05939	0.5
162.07570	1.8
163.07506	42.0
167.07001	3.5
169.04942	0.3
170.07191	0.3
173.05928	0.8
175.06137	0.2
175.07446	1.8
177.05408	0.2
180.07750	1.3
180.08969	0.3
181.04991	0.3
181.06514	0.3
183.06572	0.2
185.09601	0.4
187.07510	1.0
189.09071	0.2
191.06976	0.3
192.07834	0.4
193.08525	0.3
195.10129	100.0
196.10446	0.4
201.09117	0.2
205.08560	0.4
207.10152	6.4
213.09053	1.1
217.08565	1.0
219.10075	2.4
223.05815	0.4
223.09654	0.2
233.11732	0.2
237.10884	0.6
241.06892	0.8
245.11688	1.5
259.07867	2.4
261.11221	0.2
273.11230	2.1
276.10834	0.2
277.09070	0.9
279.12225	0.3
287.01901	0.2
291.12192	5.4
294.11713	1.3
295.10254	1.7
309.13269	4.7
310.13507	0.2
312.12848	1.8
327.14212	1.5
412.06604	0.2
506.22430	1.6
921.60187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.5
69.03415	2.0
71.04957	0.1
73.02893	0.6
73.04311	0.1
75.03902	0.1
78.19054	0.1
81.03415	1.3
83.01327	0.1
85.02893	5.7
91.03931	0.6
91.05442	0.1
94.46307	0.1
95.04963	0.2
97.02875	2.2
99.04428	0.2
109.02876	1.1
111.00769	0.8
121.02849	0.8
121.14422	0.1
123.04383	0.2
127.03905	0.9
135.04391	0.1
137.02312	3.4
137.05962	0.5
145.04945	0.7
145.06570	0.1
149.02324	0.4
151.07541	0.4
153.01814	3.7
155.04919	0.1
161.05939	0.4
163.03883	0.5
165.01801	2.2
166.02573	0.2
173.05968	0.4
183.02841	1.0
183.04324	0.3
187.03833	0.4
189.09140	0.1
195.02910	0.1
201.05431	2.0
205.05090	0.1
219.06500	0.4
229.04926	4.7
247.05937	0.7
257.04413	3.4
274.04681	1.1
275.05576	0.1
277.75433	0.1
285.03922	1.7
303.04944	100.0
304.05261	2.0
331.15411	0.4
349.61948	0.1
464.29034	0.1
465.09995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	11.5
69.07057	26.8
71.04992	2.6
73.02878	2.9
79.05475	97.1
81.03397	13.0
81.07039	86.2
83.04967	9.3
83.08603	12.9
85.02898	22.1
85.06512	3.0
91.03944	8.7
91.05463	100.0
93.07025	91.9
95.04942	21.0
95.08582	62.0
97.02869	11.6
97.06513	8.4
97.10175	2.9
101.98223	1.8
105.07015	81.4
107.04939	2.3
107.08588	49.8
109.06505	8.4
109.10147	30.5
109.21736	2.1
111.04424	2.1
111.08026	2.3
117.06989	32.0
119.08569	53.7
121.06503	8.6
121.10125	33.4
123.11703	4.0
127.03941	8.1
128.06239	3.3
129.05498	3.3
129.06999	15.1
131.08536	39.5
133.10110	41.5
135.08064	3.6
135.11635	22.2
140.36780	1.9
141.06999	3.0
142.07779	2.0
143.08559	17.2
145.04929	3.3
145.10117	27.7
147.11685	26.7
149.13254	12.6
157.10129	11.2
159.11691	16.4
161.09494	2.9
161.13229	14.3
163.14824	2.5
166.19135	2.1
169.10085	3.6
171.11713	10.8
173.13254	13.3
175.14792	3.8
185.13251	4.7
187.14713	2.8
195.22891	2.1
197.13254	2.4
201.16380	3.0
241.19362	2.3
257.19058	4.0
259.20468	19.8
261.22168	2.6
275.20108	3.5
277.17877	3.0
315.23172	2.4
333.24231	12.8
335.25763	49.7
344.32162	2.6
349.23639	2.5
447.27631	2.2
489.35364	2.2
497.35788	8.3
529.38898	14.7
569.42133	3.4
609.44708	11.0
611.46680	36.3
758.41284	2.3
771.75610	2.3
895.95557	2.4
953.93903	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	982.6456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	10.4
69.78855	4.0
73.02906	4.4
74.04935	3.8
79.05476	50.8
81.07040	100.0
83.08598	9.6
85.02904	20.4
85.06515	4.0
85.48909	4.1
91.03934	8.1
91.05454	34.5
93.07021	69.5
95.04948	9.8
95.08595	66.7
97.02871	6.1
105.06985	29.3
107.08597	34.8
109.10156	21.5
111.11690	4.2
117.07002	17.3
119.08576	18.9
121.10113	28.8
123.11712	9.8
131.08543	9.9
133.10130	22.2
135.11650	20.1
145.04982	5.7
145.10115	15.6
147.11687	17.9
149.13272	7.7
150.79300	3.8
152.29210	4.3
159.11658	6.7
161.13187	7.2
171.11580	4.8
181.06114	5.3
261.22083	7.1
289.25186	7.4
335.25781	48.6
363.28864	37.8
380.27603	5.0
509.52457	4.8
623.50153	24.9
641.51447	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	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	11.5
69.07057	26.8
71.04992	2.6
73.02878	2.9
79.05475	97.1
81.03397	13.0
81.07039	86.2
83.04967	9.3
83.08603	12.9
85.02898	22.1
85.06512	3.0
91.03944	8.7
91.05463	100.0
93.07025	91.9
95.04942	21.0
95.08582	62.0
97.02869	11.6
97.06513	8.4
97.10175	2.9
101.98223	1.8
105.07015	81.4
107.04939	2.3
107.08588	49.8
109.06505	8.4
109.10147	30.5
109.21736	2.1
111.04424	2.1
111.08026	2.3
117.06989	32.0
119.08569	53.7
121.06503	8.6
121.10125	33.4
123.11703	4.0
127.03941	8.1
128.06239	3.3
129.05498	3.3
129.06999	15.1
131.08536	39.5
133.10110	41.5
135.08064	3.6
135.11635	22.2
140.36780	1.9
141.06999	3.0
142.07779	2.0
143.08559	17.2
145.04929	3.3
145.10117	27.7
147.11685	26.7
149.13254	12.6
157.10129	11.2
159.11691	16.4
161.09494	2.9
161.13229	14.3
163.14824	2.5
166.19135	2.1
169.10085	3.6
171.11713	10.8
173.13254	13.3
175.14792	3.8
185.13251	4.7
187.14713	2.8
195.22891	2.1
197.13254	2.4
201.16380	3.0
241.19362	2.3
257.19058	4.0
259.20468	19.8
261.22168	2.6
275.20108	3.5
277.17877	3.0
315.23172	2.4
333.24231	12.8
335.25763	49.7
344.32162	2.6
349.23639	2.5
447.27631	2.2
489.35364	2.2
497.35788	8.3
529.38898	14.7
569.42133	3.4
609.44708	11.0
611.46680	36.3
758.41284	2.3
771.75610	2.3
895.95557	2.4
953.93903	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	970.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.5
69.07053	24.6
71.04977	2.7
73.02921	3.4
78.86226	1.8
79.05478	87.9
81.03418	3.4
81.07041	90.5
83.04935	1.7
83.08597	11.6
85.02876	17.0
85.06528	2.0
91.03941	10.8
91.05469	86.5
93.07025	100.0
94.07397	2.3
95.04954	15.9
95.08588	63.7
96.48097	1.4
97.02892	12.5
97.06527	6.2
97.10162	2.1
105.04502	1.8
105.07017	88.5
107.08588	45.3
109.06496	3.5
109.10152	30.2
112.47838	1.6
115.05480	2.2
117.06995	22.2
119.08562	64.1
121.06454	2.5
121.10116	33.8
121.38851	1.5
121.78774	1.6
123.08068	2.0
123.11713	3.9
124.67996	1.7
127.03922	2.8
128.06233	2.6
129.06972	12.0
130.07777	2.8
131.08534	40.7
131.09435	2.0
132.84692	1.7
133.10101	43.7
135.07991	2.6
135.11661	24.3
143.08607	13.4
145.10121	32.3
147.11674	36.4
149.09579	2.6
149.13268	10.1
149.65839	1.6
155.08536	2.7
157.10135	15.9
159.11703	21.7
159.52106	1.7
161.09555	1.8
161.13228	22.4
163.06026	3.6
163.14801	6.2
167.08586	1.8
169.10141	3.8
171.11685	12.3
173.05975	1.7
173.13243	15.1
173.18710	1.7
175.14799	8.1
181.10110	2.0
183.11662	3.2
185.13193	9.6
187.14900	2.2
199.14838	3.3
211.14690	2.1
215.58809	2.0
231.17317	1.8
231.20956	1.7
231.92067	1.8
241.19441	13.9
257.18976	8.4
259.20499	46.2
259.23022	2.7
261.22076	6.2
307.88437	1.8
331.22430	1.9
333.24088	27.3
335.25787	64.4
337.27362	2.0
472.51740	1.8
519.42291	4.0
541.38904	2.0
593.45587	12.9
611.46545	83.9
719.48505	2.8
737.49420	1.8
755.51093	2.7
899.22107	1.9
954.67859	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99772	4.4
69.03416	16.6
70.24147	0.4
71.01345	0.7
71.04978	0.7
73.02898	11.9
81.03394	5.3
85.02888	72.2
87.04455	2.4
91.03910	3.7
95.04939	0.9
97.02866	24.3
99.04433	3.8
103.03907	2.2
109.02861	7.4
111.00811	5.2
111.04406	0.8
115.03926	7.3
119.04913	0.8
123.04401	21.9
127.03889	100.0
132.06520	0.8
133.04930	8.7
135.04378	0.7
137.02260	0.5
139.03882	47.5
145.04936	34.8
147.04376	8.8
149.02327	1.0
150.07574	0.9
151.03877	21.7
151.37282	0.4
152.04283	0.5
154.50459	0.4
155.03339	0.9
157.02783	0.5
159.04466	0.9
161.05984	1.7
163.03873	2.3
163.04530	0.5
163.05966	15.1
165.05438	4.5
167.03348	3.7
171.04370	0.5
173.05983	0.5
175.03862	14.0
177.05444	5.8
179.03358	28.8
180.03841	0.6
185.05962	0.8
187.03940	0.6
189.05481	3.6
191.03308	9.9
193.04938	4.2
199.03796	2.0
201.05481	2.7
203.03354	23.0
205.05124	0.9
207.06647	1.1
213.05458	3.8
217.04884	3.5
223.11719	16.4
223.13774	0.9
227.03505	0.6
229.04893	4.4
231.06357	4.0
232.19835	0.5
233.04454	5.4
241.04805	2.5
241.06932	1.6
245.04390	8.7
251.05412	2.1
257.04404	9.0
259.05960	3.9
259.08209	2.3
263.05429	5.5
269.04333	4.8
271.05920	2.2
275.05411	10.3
277.09125	0.7
281.04553	0.6
287.05426	34.6
288.05893	0.8
291.08585	17.3
295.06860	0.7
295.10126	5.2
299.05435	8.0
303.08975	0.7
305.06491	15.0
305.09982	0.7
311.05386	0.6
317.06506	3.9
340.57828	0.5
360.32996	0.5
372.18582	2.3
409.09033	2.6
425.08530	7.4
427.10129	3.8
437.08463	0.6
443.09647	9.5
538.56714	0.5
545.94147	0.5
595.14355	25.8
596.14905	0.8
639.27136	0.6
754.88995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.6
68.99772	1.3
69.03412	0.6
69.07052	1.3
71.04982	0.3
72.08163	0.3
73.02856	0.3
79.05479	3.5
81.03405	4.6
81.07037	4.2
83.04974	2.5
83.08591	2.1
85.02900	2.5
91.05458	4.3
93.03362	0.5
93.07013	2.4
95.04942	2.8
95.08593	2.3
97.02861	1.1
97.06518	0.4
97.10142	0.4
103.05476	0.3
105.07004	3.0
107.04945	1.0
107.08577	1.1
109.06493	0.6
109.10128	0.5
110.47774	0.3
111.04433	6.0
111.08070	0.3
113.05874	0.2
115.05401	0.3
117.06973	0.3
119.08561	1.8
121.02840	1.0
121.06486	0.3
121.10140	1.2
123.04440	3.1
123.07991	0.3
127.03919	0.4
129.06976	1.6
131.04933	1.0
131.08539	1.6
133.10152	1.2
135.04391	1.3
137.05977	0.3
139.03886	100.0
141.05421	0.3
145.06496	0.4
145.10129	0.2
147.11647	1.5
149.05937	1.8
149.09619	1.1
151.03894	3.8
153.05490	1.0
155.04889	0.3
157.06493	0.4
157.10143	0.6
159.07983	0.3
161.05939	4.6
163.03879	22.5
165.05464	1.0
165.06895	0.4
169.06415	0.5
173.05986	6.1
175.07520	1.4
175.11171	1.3
177.05396	2.0
179.03383	1.4
181.04951	1.9
181.06491	1.0
183.26541	0.3
185.05931	1.2
187.03824	0.6
187.07529	4.0
189.05447	1.3
189.09018	0.4
190.06383	0.3
193.12256	3.2
195.08057	1.1
197.05974	1.3
199.07510	3.8
201.05435	1.2
201.09106	1.3
203.07018	0.4
205.04922	3.8
207.08104	0.3
209.06128	0.4
211.07491	2.0
211.13257	3.9
213.05470	1.4
213.09039	2.2
215.07048	0.5
217.04881	0.3
217.08395	0.3
221.09433	0.3
223.07466	1.3
225.09079	1.2
226.06223	0.3
227.06979	1.1
227.10669	0.3
229.04912	0.6
235.05888	0.4
237.09073	0.4
239.06807	0.3
247.06087	0.4
249.08994	0.5
251.10544	0.4
253.12128	0.4
267.15854	1.4
269.15372	0.6
281.15219	0.3
283.08063	1.5
285.16977	5.6
295.05975	1.0
297.07520	0.4
297.14664	1.0
297.62195	0.3
301.09198	3.1
305.08224	0.3
308.06775	0.6
309.07266	0.5
311.16296	0.3
313.06970	0.5
313.14450	0.3
315.15836	2.4
321.07486	0.6
323.16324	0.4
325.14218	0.5
327.15973	2.4
335.09161	0.4
339.15878	2.0
346.17770	0.3
389.19595	0.6
401.19281	0.5
421.16293	2.8
447.18066	3.4
465.19006	1.7
477.18372	0.3
495.19592	0.3
539.22467	1.4
551.30170	0.3
569.30420	0.4
580.23541	0.3
581.30878	1.3
593.30652	1.3
599.31848	1.1
605.30481	1.1
611.31921	2.9
623.31854	1.2
627.31189	0.5
629.32770	0.5
641.32776	0.5
687.30341	0.4
705.32733	1.9
713.32507	0.5
723.33289	1.1
731.34064	2.4
749.35034	3.9
767.35864	2.1
797.32794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.6
68.99772	1.3
69.03412	0.6
69.07052	1.3
71.04982	0.3
72.08163	0.3
73.02856	0.3
79.05479	3.5
81.03405	4.6
81.07037	4.2
83.04974	2.5
83.08591	2.1
85.02900	2.5
91.05458	4.3
93.03362	0.5
93.07013	2.4
95.04942	2.8
95.08593	2.3
97.02861	1.1
97.06518	0.4
97.10142	0.4
103.05476	0.3
105.07004	3.0
107.04945	1.0
107.08577	1.1
109.06493	0.6
109.10128	0.5
110.47774	0.3
111.04433	6.0
111.08070	0.3
113.05874	0.2
115.05401	0.3
117.06973	0.3
119.08561	1.8
121.02840	1.0
121.06486	0.3
121.10140	1.2
123.04440	3.1
123.07991	0.3
127.03919	0.4
129.06976	1.6
131.04933	1.0
131.08539	1.6
133.10152	1.2
135.04391	1.3
137.05977	0.3
139.03886	100.0
141.05421	0.3
145.06496	0.4
145.10129	0.2
147.11647	1.5
149.05937	1.8
149.09619	1.1
151.03894	3.8
153.05490	1.0
155.04889	0.3
157.06493	0.4
157.10143	0.6
159.07983	0.3
161.05939	4.6
163.03879	22.5
165.05464	1.0
165.06895	0.4
169.06415	0.5
173.05986	6.1
175.07520	1.4
175.11171	1.3
177.05396	2.0
179.03383	1.4
181.04951	1.9
181.06491	1.0
183.26541	0.3
185.05931	1.2
187.03824	0.6
187.07529	4.0
189.05447	1.3
189.09018	0.4
190.06383	0.3
193.12256	3.2
195.08057	1.1
197.05974	1.3
199.07510	3.8
201.05435	1.2
201.09106	1.3
203.07018	0.4
205.04922	3.8
207.08104	0.3
209.06128	0.4
211.07491	2.0
211.13257	3.9
213.05470	1.4
213.09039	2.2
215.07048	0.5
217.04881	0.3
217.08395	0.3
221.09433	0.3
223.07466	1.3
225.09079	1.2
226.06223	0.3
227.06979	1.1
227.10669	0.3
229.04912	0.6
235.05888	0.4
237.09073	0.4
239.06807	0.3
247.06087	0.4
249.08994	0.5
251.10544	0.4
253.12128	0.4
267.15854	1.4
269.15372	0.6
281.15219	0.3
283.08063	1.5
285.16977	5.6
295.05975	1.0
297.07520	0.4
297.14664	1.0
297.62195	0.3
301.09198	3.1
305.08224	0.3
308.06775	0.6
309.07266	0.5
311.16296	0.3
313.06970	0.5
313.14450	0.3
315.15836	2.4
321.07486	0.6
323.16324	0.4
325.14218	0.5
327.15973	2.4
335.09161	0.4
339.15878	2.0
346.17770	0.3
389.19595	0.6
401.19281	0.5
421.16293	2.8
447.18066	3.4
465.19006	1.7
477.18372	0.3
495.19592	0.3
539.22467	1.4
551.30170	0.3
569.30420	0.4
580.23541	0.3
581.30878	1.3
593.30652	1.3
599.31848	1.1
605.30481	1.1
611.31921	2.9
623.31854	1.2
627.31189	0.5
629.32770	0.5
641.32776	0.5
687.30341	0.4
705.32733	1.9
713.32507	0.5
723.33289	1.1
731.34064	2.4
749.35034	3.9
767.35864	2.1
797.32794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.9
69.03441	3.5
72.61176	0.9
73.02914	3.6
79.05485	4.2
81.03434	1.3
81.07059	4.8
85.02920	6.1
91.03970	2.0
91.05480	1.6
93.07043	4.0
95.08601	3.5
97.02908	4.6
103.03935	0.8
105.07064	1.5
105.80096	0.9
107.08624	3.7
109.10152	1.0
118.92049	0.8
119.05209	1.0
119.08598	1.6
135.49445	0.8
157.16403	1.0
234.72791	1.0
243.08397	1.8
264.97418	1.1
335.25964	1.0
347.09592	1.6
405.13840	4.2
519.29327	9.9
632.10773	1.0
681.34698	7.0
959.56952	100.0
960.57886	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	961.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.8
73.02908	3.6
79.05485	1.8
81.07060	4.1
85.02914	4.3
93.07036	2.0
97.02889	2.0
109.10226	1.9
110.25090	2.1
111.92601	1.8
112.40134	1.8
123.91120	1.9
127.03992	2.2
129.07140	1.6
154.80667	2.0
157.55034	1.9
203.05441	2.1
243.08591	2.9
258.94577	1.8
363.09000	2.1
405.14014	2.6
519.29565	7.7
521.31000	3.5
601.94977	2.3
681.34674	7.5
884.10504	2.1
961.58453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6673
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13657	1.2
70.29089	1.4
81.07054	1.8
93.07037	1.9
95.08579	2.3
105.07021	3.7
107.08611	2.7
107.48212	1.5
119.08551	2.7
121.06472	2.5
121.10161	2.8
130.57899	1.7
145.10115	6.3
159.11671	1.4
161.09633	11.1
162.10007	2.1
170.96928	1.5
192.20152	1.4
197.09370	31.1
201.16406	1.8
215.14047	100.0
217.15892	2.5
219.17336	1.7
225.12473	3.1
230.16350	2.4
233.15169	7.1
247.16539	2.5
259.16687	10.3
275.16306	2.7
277.17712	8.4
389.24341	9.3
447.32388	15.0
493.33176	10.8
893.94543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.7117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.2
69.07057	2.9
71.08619	1.0
72.32256	0.2
76.55783	0.2
79.05481	0.9
81.07040	2.5
83.08611	1.2
85.06499	0.2
90.49981	0.2
91.05465	2.4
93.07027	3.8
95.04939	1.4
95.08603	2.2
97.10186	0.3
101.98211	0.2
103.05439	0.2
105.07011	12.3
107.04961	0.4
107.08591	3.6
109.10148	5.4
115.05451	0.4
117.07005	1.3
119.04941	0.9
119.08571	4.1
121.06486	19.9
121.10117	1.6
123.11698	0.3
128.06195	1.2
129.06981	0.3
130.07761	0.2
131.04932	0.3
131.08546	2.9
133.06500	1.7
133.10109	10.8
135.08035	12.5
135.11671	3.4
142.07758	1.3
143.08537	1.2
145.06433	0.8
145.10110	19.9
146.07254	7.5
147.08040	4.0
147.11690	2.3
149.09654	0.4
149.13266	0.4
149.32014	0.2
157.10117	3.1
158.07275	0.2
159.08110	0.3
159.11671	4.6
160.08827	0.4
161.09592	100.0
162.09914	1.0
175.11151	12.7
175.12636	0.5
175.14749	2.8
177.16341	0.5
189.16364	1.3
190.17043	0.2
191.17914	5.5
193.15839	1.1
201.16354	9.6
217.15852	40.9
218.16414	0.9
219.17392	3.2
237.18459	5.7
253.18013	3.2
259.44366	0.2
552.03906	0.2
748.49939	0.2
894.86487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.63
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	83.0
69.03386	1.6
69.07055	32.4
71.88033	1.3
73.02885	8.9
79.05478	53.3
81.07040	100.0
83.04958	1.6
83.08605	18.8
85.02897	28.9
91.03934	14.1
91.05463	34.3
92.09331	3.0
93.07027	56.8
95.04941	6.3
95.08590	78.3
97.02882	15.7
97.06498	2.6
97.10150	7.5
99.08047	1.4
105.04504	1.4
105.07024	25.6
107.08592	34.6
109.06501	2.5
109.10145	34.6
111.08033	2.2
117.07014	7.0
119.08549	20.9
121.10128	33.1
123.11681	11.7
127.03865	1.6
131.08536	15.1
133.10114	17.6
135.11687	19.9
137.13239	2.3
140.50052	1.4
145.04889	2.4
145.10106	13.2
147.11711	12.2
149.13304	9.4
151.11142	1.8
159.11684	10.1
161.13255	10.8
163.05980	5.7
163.14792	5.3
173.13254	9.4
175.14783	3.0
177.16344	1.8
187.14835	3.1
201.16293	2.7
202.69072	1.2
203.17912	1.5
243.21106	5.2
245.22591	1.6
256.52014	1.3
259.20444	5.6
261.22037	17.2
263.23563	1.9
317.24731	1.7
333.24487	2.0
335.25769	56.0
337.27341	60.8
339.28967	5.2
447.76230	1.4
523.44739	1.7
597.48785	37.9
607.02875	1.6
615.49744	54.9
624.84784	1.6
701.92371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04382	0.7
67.05492	93.7
68.05836	0.8
69.03406	3.6
69.07052	20.9
71.04961	3.5
71.08628	0.7
73.02904	7.3
77.03904	0.5
77.36037	0.6
78.16702	0.7
79.05473	64.4
81.03386	3.1
81.07037	95.5
83.04980	1.4
83.08598	9.4
85.02419	1.3
85.02888	21.5
85.06520	1.4
87.04404	0.8
91.03928	15.3
91.05461	42.9
93.07021	77.0
95.04954	9.0
95.08583	70.0
96.04467	0.7
97.02870	12.3
97.06496	3.4
97.10144	4.7
99.04427	0.9
105.04464	1.5
105.06293	1.2
105.07011	29.9
107.04967	1.1
107.08577	37.9
109.02897	0.9
109.06495	1.5
109.10146	27.2
111.08042	1.4
111.11698	0.8
117.06998	10.6
119.08561	26.1
121.10122	31.5
123.08078	0.8
123.11678	9.3
125.09602	1.0
127.03882	4.2
128.06149	0.9
129.06973	3.3
131.08539	19.1
133.10107	18.3
135.11670	19.3
137.09596	0.9
137.13181	3.0
143.08533	3.4
145.04939	4.5
145.10117	15.6
147.11665	13.8
149.13245	11.9
155.08531	0.8
157.10112	3.2
159.11661	13.1
161.13245	10.3
163.05995	5.8
163.14749	5.0
165.12758	0.8
171.11684	4.3
173.13225	9.7
175.14786	3.6
177.16342	1.1
185.13341	1.4
187.14789	4.9
195.80182	0.7
199.14767	2.9
201.16310	1.2
215.17989	0.7
219.17371	0.9
241.19498	1.7
243.21059	5.4
259.20560	10.3
261.22076	18.6
263.23581	1.3
301.25021	0.9
317.24722	3.4
333.24200	9.6
335.25726	100.0
336.26047	2.9
337.27298	13.9
361.27255	0.7
517.38800	0.9
521.43549	3.3
539.44446	1.3
595.47028	22.5
613.48120	31.1
614.48053	2.4
677.02405	0.8
729.47119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99765	1.7
81.03347	0.8
82.39348	0.3
83.04945	0.3
89.03910	2.5
91.94332	0.2
93.22090	0.3
95.04929	0.6
107.04938	1.8
109.02841	0.6
111.00761	0.4
111.04420	1.3
117.03353	4.3
121.02821	0.3
123.04407	13.1
123.05294	0.5
127.03893	33.9
128.04202	0.4
131.04897	0.4
135.04398	23.2
137.02299	1.0
139.03882	17.4
145.02818	9.7
147.04424	2.6
149.02328	1.5
149.05975	0.5
151.03893	3.1
157.06544	0.3
158.51093	0.3
159.04393	1.2
161.05988	1.5
163.03871	100.0
164.04202	0.9
165.05426	1.8
167.03374	2.8
169.06371	0.6
173.05928	1.0
175.03873	1.0
177.05405	1.5
179.03371	1.1
181.04875	0.5
185.05942	0.5
187.03831	2.5
189.05476	0.5
191.03381	4.8
193.04932	1.4
197.05931	1.7
201.05438	2.4
203.03363	3.3
203.06926	0.5
205.04904	1.2
207.06496	0.4
213.05396	0.4
215.03595	0.3
215.07083	0.6
217.04883	0.4
225.05475	0.4
227.07164	0.3
228.00638	0.3
229.04932	2.9
231.06459	0.5
233.04305	2.1
241.04829	0.4
243.06404	2.2
245.04337	2.4
247.05957	4.8
251.05528	0.4
253.04916	0.4
255.06461	0.5
257.04379	3.4
259.06006	2.9
264.38864	0.3
269.04327	1.1
271.05981	5.5
275.05527	2.9
283.05933	2.1
287.05447	9.0
289.02234	0.3
289.07031	5.9
291.08557	5.9
299.05408	1.1
301.07028	2.0
303.08698	0.4
355.10178	7.6
409.09079	5.9
411.10547	0.4
421.09024	0.4
427.10153	5.8
431.29382	0.3
579.06177	0.5
579.14868	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	948.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	53.8
69.07040	23.7
70.36593	3.9
71.08615	35.5
79.05464	39.4
81.03410	4.4
81.07047	57.9
83.08597	18.2
85.02876	26.1
85.10155	25.0
91.03929	9.2
91.05463	81.6
92.08701	8.1
93.07034	53.2
93.72832	4.5
95.04898	4.7
95.08598	65.3
97.10163	5.5
105.07017	88.8
107.08603	36.0
109.10123	26.2
117.06995	16.8
119.08567	69.4
121.10104	22.6
123.11691	9.5
127.03922	5.1
129.06929	8.3
130.83449	4.2
131.08502	32.4
133.10112	70.1
135.11682	22.8
143.08525	7.5
145.10101	26.6
147.11685	39.3
147.12724	5.0
149.13229	10.4
157.10080	9.3
159.11667	20.2
161.13217	25.5
171.11665	19.5
173.13229	8.0
175.14832	8.8
185.13264	4.4
209.72211	4.9
241.19429	33.1
259.20480	94.4
313.27307	100.0
325.15176	4.4
333.24197	60.5
454.38681	4.5
528.13837	4.8
571.46838	21.1
589.48206	98.5
697.49188	5.0
702.40503	4.8
792.90088	5.6
945.50891	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	940.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	68.7
69.07059	18.4
69.13276	3.0
71.04979	3.3
73.02913	4.6
79.05480	64.5
81.07044	100.0
82.41010	2.6
83.08615	4.6
85.02895	20.0
91.03932	5.4
91.05459	36.2
93.07029	72.8
95.04960	6.6
95.08587	69.9
97.02866	13.4
97.10121	3.0
105.07016	40.6
107.08590	45.3
109.10138	25.4
117.06992	6.3
119.08578	20.5
121.10110	29.9
123.11701	6.1
125.30131	3.0
127.03883	3.4
131.08554	21.8
133.10110	18.5
135.11687	19.3
145.10094	19.6
147.11713	19.7
149.13246	7.2
159.11696	13.8
173.13281	4.8
261.22116	12.4
321.24207	45.8
333.24432	4.5
335.25659	49.5
337.27466	4.9
581.44940	20.9
599.46594	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	3.9
67.55462	0.7
69.03410	4.5
69.07040	4.5
71.04961	1.7
75.74992	0.7
75.85823	0.6
79.05476	4.7
81.03407	0.9
81.07034	9.1
83.90458	0.7
85.02892	7.8
85.06525	4.4
91.05470	5.9
93.07043	10.5
95.04951	7.4
95.08588	7.1
97.02862	1.4
97.06496	7.9
99.04433	6.6
105.07009	9.7
107.04926	2.6
107.08587	24.0
109.02801	0.7
109.06506	6.2
109.10162	1.4
111.08078	0.9
112.37335	0.8
113.05975	4.9
117.07021	1.2
119.04909	3.9
119.08575	3.2
121.06492	7.1
121.10127	16.0
122.03650	0.8
123.08050	5.4
127.03887	1.3
129.06960	3.1
131.04880	1.1
135.08035	2.8
135.11687	7.1
137.05960	29.9
137.13213	0.8
138.06316	2.7
138.66881	0.8
139.11179	0.8
145.10123	11.2
147.11665	1.0
149.06001	5.9
149.09569	2.9
151.07526	39.9
152.07895	4.0
153.12727	1.2
157.06448	5.6
161.05994	4.8
161.09566	3.4
163.07513	9.0
163.11156	33.6
165.06999	1.1
165.09105	3.0
165.12761	0.9
167.07133	0.9
167.08551	1.5
167.10648	8.9
169.08577	66.2
173.09619	1.4
174.06789	1.5
175.07439	3.2
177.09100	4.0
181.04950	0.8
181.12238	18.3
185.11702	4.7
189.09099	15.0
190.09439	1.0
191.10632	11.3
193.10112	1.5
195.08041	6.3
207.10225	2.9
209.11687	7.6
219.10185	1.7
221.05933	2.7
221.09581	3.5
221.11630	0.7
223.07536	2.9
225.09050	3.1
225.11201	1.0
227.10628	12.1
227.12729	100.0
228.11047	0.9
237.11082	0.9
245.13814	27.9
249.09061	2.6
253.08554	3.3
253.12071	5.2
254.08960	0.8
255.10083	12.1
256.10489	1.0
265.08453	1.0
267.10071	0.8
281.11780	1.2
285.11081	8.1
287.12732	18.4
288.13037	3.1
301.14297	0.8
303.04938	1.0
313.14322	9.1
314.15060	1.1
331.15359	60.3
332.15714	11.8
333.15884	3.6
343.15262	1.1
642.59369	0.8
774.68628	0.7
909.55817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.3
67.05490	63.3
69.03406	4.6
69.07055	15.5
71.04976	4.1
72.90395	0.7
73.02883	1.8
79.04996	1.2
79.05473	45.4
81.03399	100.0
81.07037	62.4
83.04968	7.3
83.08602	25.6
85.02885	9.3
85.06520	3.1
91.03957	5.6
91.05461	43.3
93.07024	50.7
95.04945	36.1
95.08585	44.3
95.09194	1.5
97.02873	6.6
97.06504	4.9
97.10140	9.3
99.08060	1.7
101.81092	0.8
103.05443	0.8
105.06362	1.5
105.07016	30.8
107.04948	9.8
107.08574	32.3
109.06498	7.1
109.09467	1.4
109.10140	19.7
111.04443	1.3
111.08056	7.9
115.05423	2.0
117.07009	10.5
119.04931	1.1
119.08557	29.7
121.06494	4.7
121.10118	27.0
123.04423	3.3
123.08037	1.8
123.11698	7.7
125.09601	4.4
128.06219	1.0
129.06976	16.9
131.08545	23.9
133.06448	3.4
133.10103	17.7
135.08055	3.3
135.11661	15.5
137.09592	3.5
137.13286	1.2
141.06992	0.9
142.07706	3.2
143.08560	3.7
145.05002	1.0
145.06474	1.3
145.10117	13.4
147.04376	1.2
147.08035	4.8
147.11674	15.8
149.09589	6.7
149.13245	6.9
155.08504	1.7
157.10081	13.9
159.11665	9.8
161.13210	4.5
163.05927	1.3
163.11180	1.6
163.14755	3.6
165.12758	1.7
171.11711	1.9
173.09593	1.3
173.13138	5.5
175.11113	10.7
175.14748	1.5
183.11642	1.6
185.13208	1.8
187.14772	3.0
189.11159	1.0
189.12730	1.1
189.16394	1.2
193.12189	23.9
195.11607	0.9
201.16212	1.0
211.13150	1.4
227.12563	5.4
233.15276	1.2
235.13197	1.0
243.20978	4.5
249.14766	1.7
259.13031	1.0
261.22058	15.4
267.15842	75.4
268.16278	0.9
273.14740	1.0
301.25250	5.1
306.23141	0.9
309.17001	3.8
317.24841	1.2
335.25742	55.2
336.26010	1.0
355.22290	0.9
421.25607	3.4
435.27036	3.0
435.32471	3.9
453.33777	6.5
471.34381	3.6
509.36115	1.2
521.47192	0.9
527.37207	62.9
545.38263	71.5
546.38367	3.5
559.39221	1.3
569.38043	6.3
577.40833	3.0
587.38977	3.0
607.74365	0.9
611.38806	1.4
619.03589	0.9
623.39148	3.3
635.38910	3.8
653.39960	2.8
671.41333	1.3
701.13275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.8
66.01585	0.3
67.05489	4.6
69.03069	0.4
69.03419	7.2
71.04956	0.4
73.27652	0.4
79.05462	1.6
81.03399	0.4
81.07027	0.7
83.04963	2.9
85.02892	5.7
87.04436	0.8
87.57567	0.5
91.02393	0.3
91.05473	2.1
93.03387	0.4
93.06995	2.8
95.04946	19.5
95.08569	7.2
97.02859	2.4
99.04445	0.6
105.07025	5.9
107.04888	0.4
107.08573	4.3
108.05730	1.6
109.02898	1.5
109.06520	0.4
111.04425	15.6
117.07054	0.7
119.08571	8.8
121.02831	1.9
121.06458	3.6
123.04389	0.9
123.08042	75.2
127.03878	0.7
128.06197	2.3
129.06963	3.2
130.07776	0.6
131.08543	6.9
133.06506	0.9
133.10071	3.0
135.08023	5.6
137.05899	1.3
139.03857	2.5
141.06956	2.2
142.07751	1.7
143.08546	9.7
144.09305	1.5
145.06422	0.7
145.10095	4.9
147.08035	5.2
147.11682	2.0
149.05940	1.4
153.06921	0.4
154.07790	1.5
155.08563	2.3
156.09315	27.0
157.10095	4.1
158.07240	2.3
158.10892	1.7
159.08002	2.9
159.11668	8.0
161.09586	3.4
161.13245	1.6
163.07526	1.7
165.06941	0.5
166.07771	2.4
167.08476	0.6
169.06451	0.4
169.10048	4.9
171.08090	0.7
171.11646	29.7
172.08784	1.8
173.09589	5.7
173.13252	4.8
174.10403	0.6
175.07500	2.9
175.11111	2.0
179.08536	0.6
181.10115	4.7
182.07222	0.4
183.07979	0.4
184.08792	9.9
187.11154	9.7
189.09064	0.6
189.12730	9.2
197.09593	10.0
199.11147	93.8
200.11494	1.6
215.10634	22.4
217.12195	41.9
219.10135	0.5
225.09038	2.3
233.11604	2.6
243.10054	5.8
261.11157	100.0
262.11490	1.6
279.12219	44.4
297.13245	4.6
310.28067	0.4
311.84296	0.4
371.27783	0.4
372.95157	0.4
383.43839	0.4
473.93765	0.4
476.21072	2.6
553.66541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33298	2.0
67.05495	77.9
69.03414	4.7
69.07056	19.4
69.44045	1.8
71.01345	2.4
71.04967	3.5
79.05479	60.2
81.03403	100.0
81.05505	2.3
81.07040	77.4
81.07478	3.9
83.04988	4.6
83.08598	19.9
85.02903	11.7
85.06545	3.7
86.21438	1.9
91.03934	9.0
91.05457	50.8
93.07023	68.5
95.04947	39.2
95.08593	49.0
97.02868	8.7
97.06538	4.4
97.10159	8.4
99.08096	2.2
105.07027	40.4
107.04932	9.4
107.08582	37.4
109.06517	5.3
109.10135	20.9
111.08076	3.9
117.07008	13.3
119.08567	37.3
121.06499	4.6
121.10118	27.9
123.11711	4.3
125.09631	2.3
129.06989	13.1
131.08540	29.9
133.06522	3.4
133.10101	19.6
135.11691	13.4
137.09636	3.9
143.08649	4.1
145.10144	20.3
147.08051	3.9
147.11682	17.1
149.09592	10.2
149.13217	11.8
155.08508	2.2
157.10034	16.4
159.11670	10.8
160.87413	2.3
161.09583	3.0
161.13246	7.4
173.13245	3.3
175.11197	11.2
184.93379	2.1
193.12213	23.1
211.13303	2.9
227.12756	3.8
238.98097	2.4
243.21121	3.0
261.22116	17.5
267.15845	63.9
285.16959	4.0
289.10623	2.3
301.14215	2.7
301.25195	3.7
335.25778	60.7
336.26196	2.2
453.33359	5.2
527.37231	58.4
545.38275	80.3
563.39221	5.2
623.39374	2.5
635.39508	2.5
760.62140	2.7
807.95215	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	932.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.2
65.80978	0.5
67.05492	58.2
69.03413	3.6
69.07056	17.4
69.33001	0.5
71.04983	2.7
71.08241	1.3
71.08618	26.3
73.02892	6.9
75.65098	0.6
79.05475	34.6
81.03399	1.3
81.07038	59.6
83.04958	0.6
83.08607	16.7
85.02892	22.6
85.06543	0.8
85.10170	14.4
89.06026	2.6
91.03933	14.9
91.05464	15.0
93.07024	39.1
95.04958	2.9
95.08585	56.5
96.04520	0.7
97.02876	11.3
97.06522	0.7
97.10155	6.4
99.04419	1.3
99.08129	0.7
103.07547	1.1
105.04500	1.1
105.07011	13.6
107.08578	23.9
109.02900	0.8
109.09389	0.9
109.10138	25.2
111.08083	1.1
111.11694	0.9
117.07003	6.2
119.08575	11.3
121.10117	19.0
123.11706	7.6
124.77741	0.6
125.09629	0.8
127.03907	4.7
131.08554	12.6
133.10124	11.1
135.11682	14.8
137.13260	1.0
145.04921	4.2
145.10088	8.0
147.11668	6.9
149.13246	9.1
157.66687	0.7
159.11633	5.9
161.13225	5.1
163.05960	5.9
163.14836	3.4
165.16422	0.7
173.13222	7.3
175.14827	1.0
177.16373	1.1
187.14806	3.1
201.16418	1.0
220.02324	0.6
233.22572	0.9
235.91763	0.6
239.23711	3.2
243.20992	9.8
257.24771	3.1
261.22073	34.3
313.27310	100.0
314.27618	1.0
317.24854	4.7
335.25735	85.9
336.26059	1.0
348.12646	0.8
369.09708	0.7
376.95688	0.8
404.26068	0.6
408.80203	0.6
499.45129	1.1
573.48706	57.6
574.49298	1.3
591.49719	14.7
637.33966	0.7
661.05530	0.6
761.30841	0.6
762.51642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.3
67.05139	2.0
67.05496	60.0
69.03410	6.9
69.07053	19.5
71.04947	2.2
73.02897	12.8
76.71889	0.9
79.05479	57.3
81.03407	18.8
81.07040	65.8
82.04192	2.3
83.04964	15.0
83.08612	14.8
85.02894	23.3
85.06547	1.6
87.04449	1.5
90.44756	1.0
91.03948	10.1
91.05463	37.2
92.06236	1.4
92.08721	1.2
93.07027	57.1
95.04949	18.8
95.08588	46.4
97.02879	12.3
97.06513	10.0
97.10145	15.8
98.07298	8.3
99.08064	1.3
101.06012	1.6
105.07014	23.3
107.04927	4.8
107.08582	30.8
109.06499	6.8
109.10149	19.2
111.08078	5.6
113.05970	1.1
116.04687	17.5
117.06987	11.1
119.08561	21.0
120.09391	1.2
121.06474	1.3
121.10129	24.3
123.08055	2.4
123.11687	4.2
125.09620	18.3
127.03904	2.5
127.11218	1.0
129.04515	2.3
129.05460	52.5
129.07014	5.4
131.08548	17.0
133.10121	18.2
135.08034	1.6
135.11667	15.6
137.09569	2.4
143.07040	15.0
145.04904	2.5
145.10106	10.2
147.11707	12.1
149.09605	6.2
149.13232	7.4
157.08595	24.8
157.10081	7.5
159.11681	5.4
161.13268	4.1
163.06062	2.1
163.11163	4.6
163.14790	2.4
165.12743	1.2
171.10167	8.2
171.11630	1.9
173.13258	5.1
175.11203	2.1
175.14743	1.7
177.12843	1.1
185.11729	1.4
185.13292	1.5
187.14851	2.0
189.11197	11.8
193.12180	7.6
197.13297	1.2
199.13249	4.7
200.14107	1.7
205.23520	1.2
209.11696	1.3
211.13266	4.0
227.12721	9.0
229.14307	1.1
243.21059	5.3
259.20551	2.2
261.22101	11.1
267.15881	5.9
277.21628	4.8
283.15286	1.0
285.16968	1.5
301.16425	100.0
317.24686	1.4
335.25757	56.0
389.26584	1.3
435.32419	1.4
451.31955	1.3
527.37262	9.6
543.36395	1.3
545.38110	1.6
559.90881	1.4
561.37769	63.5
562.38251	1.8
579.38574	1.5
748.17505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.7
66.07840	0.6
67.05492	65.6
69.03416	8.0
69.07058	16.5
71.04977	3.1
73.02905	11.9
79.05476	57.1
80.06248	1.6
81.03403	14.1
81.07040	66.9
82.04156	3.7
83.04610	0.7
83.04974	12.3
83.08604	13.7
84.13414	0.8
85.02892	20.2
85.06516	1.9
91.03929	8.1
91.05461	40.8
93.07021	59.5
94.07825	1.0
95.04947	18.1
95.08584	46.8
97.02866	9.7
97.06507	9.3
97.10143	15.6
98.07299	6.5
99.04457	1.0
101.05984	1.6
105.04470	1.4
105.07007	28.6
107.04967	5.4
107.05536	0.9
107.08573	33.7
109.06480	5.7
109.10146	22.5
111.08080	5.5
115.03883	0.9
115.05453	0.9
116.04691	13.8
117.07001	12.0
119.08560	22.8
121.06417	1.1
121.10128	21.5
122.10863	0.9
123.08037	5.4
123.11678	5.0
125.09615	12.4
127.03848	3.0
127.11144	1.1
129.05461	35.1
129.06982	5.3
131.08546	19.0
133.10098	17.9
135.08057	2.4
135.11681	14.8
137.09604	1.6
137.13237	1.8
143.07034	8.2
143.08540	1.8
145.04948	1.7
145.10104	12.2
147.08032	1.4
147.11691	11.5
149.09598	3.1
149.13252	5.7
153.09042	1.6
153.12729	0.9
155.08543	0.9
157.08571	17.8
157.10077	4.7
159.11670	7.2
161.13220	4.7
163.06004	1.5
163.11131	3.3
163.14772	1.6
165.12758	1.7
167.50511	0.8
169.10020	0.9
171.10129	4.8
171.11598	1.3
173.13161	5.7
175.11165	3.3
175.14766	1.6
183.11656	0.8
185.11746	0.9
185.13263	1.6
187.14818	1.4
189.11162	8.4
193.12195	3.9
195.11647	1.0
199.13306	3.2
200.13931	1.3
209.11670	1.6
211.13268	4.5
216.59976	0.8
227.12820	5.9
229.14340	1.1
243.21002	3.4
255.15720	1.1
259.20499	1.6
261.22101	9.0
267.15854	6.4
277.21500	4.7
283.15121	1.0
285.16776	1.7
301.16394	48.9
317.24704	1.3
335.25766	65.5
336.25894	1.4
351.25305	1.7
389.26672	1.1
527.37085	6.8
543.36621	1.9
545.37915	1.7
561.37781	100.0
562.38324	1.6
579.38232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	18.9
69.03425	3.7
69.07056	9.7
69.48196	0.5
71.04987	0.6
71.08617	26.0
73.02901	1.3
75.35609	0.6
79.05482	10.7
81.03407	85.2
81.07045	26.0
83.04977	4.9
83.08613	23.7
84.68561	0.6
85.02895	7.1
85.06531	0.8
85.10172	16.4
89.06024	1.2
91.03938	6.3
91.05472	18.0
93.07024	9.9
95.01333	0.6
95.04332	0.9
95.04953	28.2
95.08594	22.7
97.02872	6.1
97.06520	2.5
97.10152	7.8
103.07571	0.8
105.07020	12.1
107.04945	6.6
107.08583	5.5
109.02895	0.7
109.06535	4.2
109.10132	11.7
109.10730	0.7
111.04445	2.6
111.08077	5.4
111.11738	0.8
113.58206	0.6
114.36302	0.6
115.05421	0.9
117.07013	1.1
119.04929	0.8
119.08562	13.4
121.06508	3.0
121.10142	6.7
123.04414	2.3
123.08067	0.9
123.11707	4.5
125.09588	0.9
129.06989	9.6
131.08551	7.6
133.06485	2.8
133.10097	4.9
135.08057	0.6
135.11688	1.2
137.09622	0.7
137.13278	1.0
142.07779	1.4
142.77696	0.5
145.04950	1.1
145.10133	1.2
147.04433	1.2
147.08066	4.5
147.11678	7.3
148.61456	0.6
149.09628	6.1
155.46838	0.7
157.10104	10.4
161.09491	0.6
163.06059	1.3
163.11229	0.8
165.12790	2.4
169.07895	0.6
175.11165	9.8
176.44009	0.6
193.12227	33.0
205.12230	0.9
211.13383	2.6
231.13954	0.6
235.13286	1.3
239.23692	3.2
249.14764	1.1
257.24780	2.4
259.13113	0.7
267.15884	97.5
273.14859	1.1
301.14105	0.8
309.16943	2.7
313.27332	100.0
314.27521	0.9
505.38821	87.4
506.39355	1.1
520.58130	0.7
523.39545	4.7
547.40009	6.6
589.40564	0.8
601.40698	3.0
613.40741	2.2
631.41864	1.2
649.43457	1.1
681.08093	0.6
781.98090	0.6
797.92285	0.7
907.43060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66985	0.7
67.05491	21.1
69.03403	5.3
69.07045	9.8
71.04961	4.0
71.08617	22.7
73.02883	4.2
79.05473	17.8
81.03401	46.9
81.07038	30.5
81.15102	0.9
83.04957	11.5
83.08601	22.3
85.02890	31.4
85.06534	1.5
85.10164	10.7
89.09007	0.8
91.03947	6.5
91.05463	22.9
93.07023	14.6
95.04946	18.3
95.08590	20.4
97.02868	8.2
97.06476	1.5
97.10176	7.7
99.04430	1.2
105.07014	17.8
107.04935	4.8
107.08575	5.4
109.06480	3.6
109.10145	10.1
111.04445	1.2
111.08076	5.8
111.11722	1.2
115.05466	1.6
119.08542	16.1
121.10117	8.8
123.08021	1.7
123.11671	3.6
127.03932	1.6
129.07013	8.2
130.34021	0.8
131.08524	10.0
133.06522	0.8
133.10089	9.2
135.11684	1.1
137.09555	1.2
137.13304	1.0
142.07776	1.6
145.04964	1.4
145.10104	3.0
147.08022	2.0
147.11676	16.3
149.09605	4.7
154.37111	0.8
157.10115	10.2
163.11220	1.0
165.12666	1.6
175.11165	12.8
193.12224	34.6
211.13277	30.6
267.15903	15.1
285.16904	43.2
285.27634	1.3
341.30441	57.4
449.16116	1.1
533.41742	13.9
551.42999	100.0
552.42932	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	912.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33227	1.0
68.99777	1.9
69.03411	5.4
72.45115	0.9
73.02896	2.0
81.03407	7.2
81.97769	1.0
85.02886	32.6
85.16502	0.9
91.03886	1.2
91.05448	0.9
94.74569	1.0
95.04897	1.0
97.02872	14.6
99.04420	1.5
107.04961	1.4
109.02840	8.1
111.00791	5.4
111.04414	3.7
119.04939	1.1
121.06486	25.5
123.04392	21.8
127.03893	100.0
134.42851	1.0
135.04382	23.4
137.02351	1.3
139.03880	68.2
145.04919	6.0
147.04376	4.0
149.02380	4.3
151.03882	17.9
156.02751	1.1
159.04425	2.0
161.05971	1.6
162.05194	5.2
163.03873	29.0
163.05962	1.5
165.05412	4.4
167.03365	5.4
169.06416	1.1
171.05714	1.7
173.03004	1.2
173.05934	1.0
175.03891	3.8
177.05437	6.3
179.03377	16.1
180.06284	1.2
180.08643	5.3
181.04904	1.0
181.06570	1.1
187.03856	4.7
189.05405	1.8
191.03354	9.8
193.04915	4.0
197.06136	1.8
200.70900	1.1
201.05501	5.6
203.03406	11.4
203.07024	2.1
205.04918	4.9
205.08545	1.7
207.06714	1.1
213.05420	2.1
215.03351	1.0
217.05040	1.3
221.04861	1.7
221.06726	1.7
229.04976	12.8
231.06508	1.6
233.04359	4.4
233.06523	5.6
237.02739	1.3
243.06319	2.1
245.04485	6.8
247.05949	25.7
251.05418	1.7
254.61874	1.1
257.04395	12.1
258.05148	1.0
259.05991	5.8
263.05286	2.3
265.10745	1.4
269.04398	4.3
271.05936	10.6
275.05405	9.0
283.05997	5.2
287.05429	21.7
289.06995	13.1
291.08588	4.4
299.05435	7.0
301.07187	2.7
305.06436	1.9
307.08078	9.6
312.11246	21.6
312.61353	5.5
317.06595	1.5
318.15414	15.1
323.09695	22.5
324.09946	1.6
409.09235	7.6
425.08417	4.6
427.10452	10.1
443.09586	12.1
475.40506	1.1
574.68536	1.1
595.14197	11.3
609.78186	1.0
746.41791	1.1
843.35797	1.1
894.63269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33277	0.3
65.03936	1.7
67.05496	44.3
69.03426	3.7
69.07059	11.1
70.43190	0.3
71.04986	4.1
73.02900	4.7
76.55909	0.4
78.35904	0.4
79.05479	39.0
80.39388	0.4
81.03405	39.7
81.07043	49.4
83.04967	11.3
83.08607	15.9
85.02893	26.3
85.06548	2.5
87.04482	0.5
91.03946	5.8
91.05465	33.3
93.07027	39.0
93.68255	0.4
94.05477	0.4
95.04951	18.4
95.08586	30.6
97.02886	9.0
97.06494	4.1
97.10163	3.0
99.04443	0.9
99.08086	0.7
105.04532	0.4
105.07023	23.1
107.01337	0.3
107.04949	5.4
107.08588	17.1
109.06518	5.3
109.10145	11.9
111.04438	1.7
111.08081	6.5
113.06030	1.7
115.05442	0.8
117.06993	5.1
119.08559	19.2
119.09372	0.6
121.06490	0.9
121.10123	17.1
123.08057	2.4
123.11665	3.4
125.09635	1.5
127.03928	1.7
129.06981	8.2
131.08551	15.2
133.06494	2.5
133.10118	11.5
135.11671	8.9
137.09605	2.2
137.13263	0.7
142.07787	2.4
143.08501	0.6
145.04974	1.6
145.10114	5.4
147.08049	1.8
147.11668	12.9
149.09615	4.8
149.13237	3.9
150.36372	0.4
151.11211	0.5
157.10112	10.2
157.11363	0.6
159.11694	4.3
161.13182	3.2
163.06044	1.7
163.11223	0.5
163.14819	0.9
165.12756	2.6
173.12001	0.3
173.13232	3.4
175.11157	9.4
175.14832	0.8
177.12817	0.4
185.13322	0.4
187.14758	0.8
189.11130	0.5
193.12221	24.8
199.14763	0.4
201.16441	0.5
211.13261	25.1
217.67438	0.4
243.21025	1.7
261.22015	6.9
267.15884	7.3
285.16913	32.3
286.17303	0.5
301.25366	0.6
303.23395	0.4
317.24600	0.9
333.24509	0.4
335.25760	56.6
336.26019	0.5
435.32523	0.7
453.33478	1.6
471.34204	0.7
509.36340	0.6
527.37225	13.6
545.38306	100.0
546.38593	3.2
551.73657	0.4
563.39221	0.8
689.42133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.0
67.05492	55.6
69.03421	7.1
69.07053	14.3
71.01364	0.4
71.04970	4.5
71.08533	0.3
72.66594	0.4
73.02899	5.3
75.53063	0.4
79.05474	47.5
81.03401	61.2
81.07037	57.5
83.04964	16.9
83.05424	0.8
83.08602	22.6
85.02889	40.1
85.06536	2.5
87.04460	0.6
88.82030	0.4
91.03934	9.7
91.05460	41.6
92.09230	0.5
93.07023	45.1
95.04326	0.5
95.04948	25.4
95.08585	40.8
97.02872	10.3
97.06505	5.5
97.10141	5.6
99.04411	1.0
99.08070	1.7
105.04517	0.8
105.07013	31.7
107.04932	7.4
107.08577	23.7
109.02894	0.5
109.06497	6.9
109.10146	13.9
111.04434	2.0
111.08067	9.4
113.05952	3.3
114.37288	0.4
115.05427	0.6
117.07005	5.8
119.04935	0.5
119.08562	25.2
121.06490	2.0
121.10125	21.6
123.08074	2.8
123.11682	6.1
125.09655	2.1
127.03867	3.0
127.07526	0.6
128.06247	0.4
129.06989	12.2
129.29280	0.4
131.08545	18.6
133.06487	3.4
133.10107	16.8
135.08023	0.6
135.11656	7.5
137.09612	2.5
137.13243	0.8
142.06787	0.4
142.07770	3.1
143.08537	0.8
145.04883	3.0
145.10124	6.6
147.08012	3.2
147.11664	18.6
149.09608	7.9
149.13242	3.8
151.11192	0.4
155.08540	0.6
157.10106	15.9
159.11653	3.6
161.13287	2.6
163.05981	2.2
163.11143	0.8
163.14836	2.3
165.12712	2.7
168.79320	0.4
169.10098	0.5
171.11627	0.6
173.13193	3.9
175.11142	15.6
175.12608	0.7
175.14830	0.4
181.10114	0.5
185.13298	0.5
187.14769	0.9
193.12206	39.6
197.13164	0.5
199.14879	0.5
201.16405	0.6
211.13264	42.9
215.75784	0.5
227.12794	0.6
229.14307	0.5
243.21066	2.6
261.22031	7.2
267.15878	10.4
285.16913	55.1
301.25204	0.6
317.24762	2.4
335.25732	53.4
336.26102	0.5
435.32443	1.5
453.33609	2.0
471.34659	0.7
527.37177	13.2
545.38281	100.0
546.38525	1.9
791.73804	0.5
875.14978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.2
67.05497	64.8
69.03407	6.0
69.07060	16.3
71.04975	5.3
73.02888	8.3
79.05478	61.7
81.03405	17.7
81.07042	70.3
83.01330	14.6
83.04973	17.6
83.08607	23.4
85.02893	31.9
85.06530	1.3
91.03949	15.9
91.05473	36.4
92.08667	1.0
93.07027	75.2
95.04947	15.4
95.08589	53.8
96.04522	1.1
97.02887	16.4
97.06519	7.8
97.10155	6.0
99.04427	4.6
105.06367	1.5
105.07023	30.6
107.04945	13.9
107.07861	1.8
107.08582	40.1
109.06520	12.2
109.10156	19.1
111.04427	3.5
111.08056	3.8
114.36742	0.9
117.07002	20.0
119.08559	24.7
121.06470	5.5
121.10125	25.9
123.08057	13.0
123.11700	6.5
125.05939	2.1
125.09609	2.1
127.03908	5.3
129.06993	3.5
130.07715	1.1
131.08554	17.8
133.10103	12.6
135.08023	4.4
135.11678	26.8
137.09592	1.8
143.08539	3.7
145.04961	6.5
145.06503	1.2
145.10118	27.0
147.08047	1.6
147.11702	6.9
149.09610	1.2
149.13243	8.1
151.14859	1.1
153.09123	1.2
153.12709	3.8
155.08571	1.9
157.10097	2.2
159.11653	6.9
160.27457	0.8
161.13235	6.8
163.05986	6.4
163.11148	31.2
163.14825	4.0
170.25632	0.9
171.11659	1.7
173.09579	2.2
173.13246	6.0
175.11099	1.0
175.14700	1.4
177.96956	0.9
181.12163	6.1
183.11591	1.1
185.13263	1.0
187.14850	3.4
189.11234	1.4
191.10619	4.2
201.16353	1.6
209.11722	4.7
211.13162	1.1
227.12820	9.8
243.21080	5.8
243.65392	0.9
259.20480	1.5
261.22058	14.8
267.16025	1.7
268.16217	1.6
283.15359	100.0
284.15555	1.4
299.23553	4.1
310.06445	0.9
313.27390	1.3
314.27679	1.2
317.24850	3.2
333.24237	1.2
334.86130	1.0
335.25757	69.8
349.84186	1.0
433.30930	2.0
451.31937	4.3
469.32870	2.1
487.33893	1.7
524.72900	1.0
525.35541	8.2
543.36761	80.7
561.37952	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	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	2.2
67.05491	58.4
69.03418	1.9
69.07050	15.6
71.01340	1.3
71.04968	7.0
71.08611	7.2
73.02896	5.3
79.04998	1.5
79.05471	58.2
81.03400	31.3
81.07037	66.4
83.01326	13.8
83.04958	17.7
83.08607	20.8
85.02884	26.5
85.06557	1.2
85.10183	1.5
91.03928	15.8
91.05458	31.9
92.08717	1.4
93.07021	78.6
95.04938	16.3
95.08581	50.6
96.08949	1.3
97.02856	16.0
97.06523	6.6
97.10133	4.7
99.04433	4.9
103.39136	1.2
105.07005	26.9
107.04941	9.9
107.08571	44.1
109.06482	11.3
109.10135	23.1
111.04414	1.7
111.08054	5.7
117.06967	13.8
119.08553	20.7
121.01141	1.2
121.06482	4.6
121.10108	28.3
123.04380	1.2
123.08009	11.5
123.11677	6.4
125.09612	4.4
127.03901	5.1
129.06946	2.5
130.07730	1.5
131.08548	14.6
133.10114	12.4
135.08063	2.1
135.11667	25.5
135.63519	1.1
143.08545	2.3
145.04907	2.4
145.10101	27.6
147.08041	1.8
147.11671	6.8
149.09639	2.1
149.13266	8.3
153.12761	1.2
155.08539	2.0
157.10077	1.6
159.11687	6.8
161.13231	7.5
163.06003	4.3
163.11153	26.7
163.14804	2.3
173.13235	6.3
175.14803	1.3
177.16409	1.4
185.13191	1.5
191.10631	1.5
193.12202	2.6
201.16402	1.7
209.11710	5.6
211.13161	1.4
227.12772	7.8
243.21037	6.4
261.22040	16.7
267.15814	11.1
268.16251	8.0
283.15341	77.1
291.98557	1.3
299.23621	2.8
313.27295	10.2
314.27646	9.8
315.27844	1.8
317.24759	1.5
335.25742	75.2
433.30615	1.8
451.31934	2.5
469.33295	2.1
487.33810	1.6
505.38678	2.7
506.39337	8.6
507.39359	4.5
525.35364	6.8
543.36682	100.0
544.37158	1.8
561.37628	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	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05145	3.0
67.05491	56.5
69.03412	2.8
69.07056	19.5
71.04980	2.5
73.02892	2.1
79.05476	54.4
81.03395	7.3
81.06603	3.1
81.07038	62.1
83.04977	2.7
83.08605	13.0
85.02882	6.9
88.42191	1.5
91.03932	2.6
91.05460	22.9
93.07019	75.8
95.04926	10.9
95.08585	72.8
97.02855	7.4
97.06500	4.0
97.10168	2.8
99.04424	7.1
105.07006	15.4
107.04925	9.5
107.08577	54.2
109.06515	7.0
109.10166	15.5
111.08028	2.2
117.06980	12.8
119.08567	20.6
121.06481	9.5
121.10123	22.4
123.08062	1.7
123.11655	1.9
125.05994	2.3
130.07802	1.8
131.08521	9.0
133.10081	7.3
135.08003	2.2
135.11665	62.5
135.27774	1.7
145.10109	46.2
147.11588	2.5
149.13235	2.8
151.69331	1.7
159.11707	3.5
163.11140	78.4
173.13216	2.5
177.65337	1.7
181.12241	13.0
227.12737	75.9
227.14873	3.5
259.90506	1.6
261.22083	7.4
283.12219	2.9
283.15353	90.4
296.22787	1.5
335.25763	78.9
336.26041	2.1
479.73849	2.0
505.13055	2.3
543.36707	100.0
583.70135	1.8
868.28455	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	1.2
69.03403	3.5
71.04974	26.0
73.02888	1.5
75.04458	2.1
81.03387	1.5
83.04956	2.1
85.02888	39.0
87.04445	1.1
91.03936	0.5
91.05456	6.5
92.09295	0.6
95.04958	1.3
97.02863	4.8
99.04444	0.6
102.56271	0.3
105.07023	0.5
108.89790	0.3
109.02858	1.4
111.04411	4.0
121.02847	3.0
123.04407	36.1
127.03896	2.6
129.05457	11.9
129.06952	0.7
132.72990	0.3
133.02827	1.5
133.06470	1.1
135.04402	1.2
137.02328	0.7
139.03874	2.8
145.04913	1.5
145.06479	0.5
147.04424	0.5
147.06497	5.5
149.02319	57.5
150.03221	2.0
151.03922	2.2
153.01805	74.2
154.02538	1.2
157.06477	1.5
161.02289	4.5
164.09143	2.7
167.03358	12.1
175.03951	0.4
175.07483	1.7
179.03348	3.7
185.05959	3.3
195.02847	14.9
197.06032	0.3
203.03322	1.5
203.07045	0.5
213.05455	7.5
217.04901	0.4
231.06477	49.8
241.04890	5.8
253.10626	0.3
255.08423	0.6
255.87415	0.3
258.05173	1.5
259.05954	53.8
269.04446	0.3
273.09619	0.7
287.05438	18.1
301.59756	0.4
305.06491	100.0
306.06866	1.1
309.11725	3.7
378.01810	0.3
660.80219	0.4
802.92285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.0
67.01858	1.2
67.05471	0.7
68.99778	14.2
81.03410	5.1
83.04963	0.8
85.02888	1.1
93.03407	0.7
95.04957	2.7
99.04437	0.7
105.03377	1.2
107.04909	1.0
109.02865	9.0
111.00790	15.5
111.04417	3.0
117.03342	0.6
119.04919	2.4
121.02842	1.1
121.06489	0.5
123.04408	37.0
125.02365	0.6
127.03893	100.0
131.04926	2.2
131.21144	0.5
133.02840	7.7
135.04387	6.3
137.02351	2.2
139.03880	85.8
141.07010	0.6
145.06505	0.7
147.04393	16.7
149.02347	5.4
149.05969	0.9
150.03093	0.6
151.03885	49.3
153.01810	2.9
153.05429	0.9
155.03351	5.3
155.04764	0.4
157.06479	1.0
159.04385	2.9
161.02301	2.7
161.05949	4.1
163.03873	9.9
165.05435	5.2
167.03375	4.7
169.05020	0.6
171.04320	3.6
173.05901	2.0
175.03877	21.9
177.01825	0.7
177.05440	9.6
179.03355	64.4
181.04985	1.0
183.04413	1.0
185.05923	4.2
187.03880	1.1
189.01727	0.6
189.05403	7.9
191.03345	11.0
193.04915	3.7
197.05940	1.2
199.03844	7.0
201.05449	6.5
203.03362	27.7
205.04947	2.2
207.06647	0.6
211.03885	0.7
213.05447	8.3
215.03377	2.5
215.07034	0.6
217.04901	9.4
219.02856	0.6
219.06490	1.2
221.04552	0.7
223.02383	3.3
225.05379	0.8
227.03406	3.3
229.04913	10.0
231.02771	0.7
231.06462	4.4
233.04422	4.3
237.05438	1.0
241.04919	5.1
243.06497	0.7
245.04390	45.6
247.02324	0.6
247.05917	7.6
251.05513	2.3
253.04944	2.7
257.04407	22.9
258.05145	2.0
259.05927	5.5
263.05441	39.7
265.04932	0.6
269.04343	7.9
270.05219	0.7
271.05911	5.6
275.05432	15.4
277.07022	1.1
279.06641	0.6
281.04391	3.4
283.05920	2.4
285.04016	0.7
287.05441	54.9
289.07114	1.0
291.08572	11.7
295.05988	2.1
297.04010	3.6
299.05466	15.6
301.06891	0.6
303.08856	0.7
305.06525	17.8
307.05829	0.7
309.03812	2.3
311.05463	2.7
313.07190	0.7
317.06476	14.0
321.03845	1.9
321.07394	0.7
323.05212	1.1
329.06522	2.0
331.05991	0.5
335.05334	0.8
335.97821	0.6
337.06961	0.6
339.04852	0.9
347.94263	0.6
349.07217	0.9
351.04868	4.4
381.06067	2.5
393.05862	7.2
395.07755	1.9
399.06812	2.3
405.05896	4.5
407.07693	1.0
409.09012	5.3
411.06870	1.2
413.08231	0.9
417.05869	0.9
423.07016	8.0
425.08618	9.3
427.10080	5.8
435.06860	4.0
437.08426	0.7
441.07864	6.7
443.09622	13.9
451.10312	2.8
453.08081	1.2
455.09802	0.8
465.08200	0.7
469.11063	0.8
525.07941	0.7
543.09204	2.5
545.10461	2.8
549.09857	3.5
561.10138	2.5
567.11157	2.8
573.09625	0.6
595.14386	4.3
605.12823	1.0
699.74329	0.6
713.14740	0.8
731.15594	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	899.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33070	1.5
66.40707	1.6
68.99783	12.2
69.72444	1.2
70.48495	1.4
70.57555	1.4
71.56953	1.2
74.30854	1.1
81.03397	2.4
92.09321	2.8
95.04994	1.4
107.04928	1.4
109.02856	10.5
109.46675	1.6
111.00784	11.2
111.04450	7.8
111.40878	1.6
121.02856	1.8
123.04416	37.5
127.03896	100.0
128.04280	1.8
133.02850	2.8
135.04385	22.5
139.02803	3.4
139.03883	91.1
147.04396	10.6
149.02313	5.5
151.03879	51.4
155.03433	3.3
161.05960	2.6
163.03870	20.2
165.05470	2.9
167.03392	1.8
169.04950	1.8
173.05872	2.3
173.80441	1.7
175.03850	21.1
177.05466	8.6
179.03363	53.4
181.04906	2.0
185.05928	3.1
187.03818	2.7
189.05421	3.5
191.03398	10.2
193.04929	1.8
197.05951	2.0
199.03938	6.1
200.33290	1.5
201.05527	3.1
203.03380	25.1
203.07111	1.7
205.04942	2.1
213.05402	7.8
215.06975	1.7
217.04953	3.7
223.02449	2.0
229.04985	9.7
230.67126	1.6
231.06409	2.4
233.04393	2.8
241.04910	3.2
243.06519	2.2
245.04399	58.5
247.06053	12.4
250.22208	1.7
257.04321	22.1
259.05908	2.9
263.05435	15.0
269.04312	3.6
271.05911	11.7
275.05435	12.6
281.04517	2.1
283.06021	2.4
287.05457	47.8
289.07037	5.9
291.08493	7.0
297.03952	2.2
299.05359	13.3
305.06396	11.9
311.05319	3.1
317.06512	9.0
329.06543	2.7
402.44116	1.5
405.05981	3.0
407.07605	2.8
420.28735	1.7
423.06998	11.6
423.52133	1.8
425.08459	10.0
435.06900	2.8
441.08057	7.9
443.09726	10.6
453.07947	2.9
467.09589	2.0
490.90353	2.2
551.56256	1.6
701.52673	1.8
792.06067	2.1
931.59698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.0
66.12740	0.5
67.05463	0.7
68.99764	10.0
74.55301	0.5
81.03387	3.2
81.12962	0.5
83.04958	1.1
85.65574	0.5
99.04378	0.7
105.03362	0.7
107.04912	0.8
109.02878	3.7
111.00784	15.0
111.04422	1.1
119.04937	0.9
121.02843	1.3
123.03519	1.2
123.04395	25.4
127.03886	61.4
133.02820	3.4
135.04402	4.5
137.02309	0.6
137.05943	0.7
139.03879	61.3
141.75848	0.5
147.04396	8.2
147.54121	0.5
149.02344	5.2
150.88834	0.5
151.03879	42.3
153.01823	1.2
153.05441	0.8
155.03380	2.8
155.04903	0.5
157.06445	1.2
159.04330	1.0
161.02261	1.2
161.05920	3.1
163.03854	9.1
163.23807	0.6
165.05447	5.2
167.03380	0.9
169.04906	2.5
171.04356	2.9
173.05980	1.1
175.03883	15.6
177.05434	8.0
179.03358	48.7
180.03703	0.7
181.04935	2.0
185.05919	1.9
187.03876	0.5
189.05391	5.1
191.03354	12.6
191.06947	0.8
193.04948	2.5
197.05939	0.8
199.03876	5.7
201.05420	4.2
203.03355	20.5
213.05431	5.8
215.03397	1.2
217.04889	7.4
219.02901	0.9
219.06429	2.0
221.04320	1.0
223.02219	3.9
227.03427	1.0
227.83257	0.5
229.04921	6.1
231.02957	0.6
231.06430	3.4
233.04315	4.0
241.04889	3.2
243.06410	0.8
245.04395	100.0
246.04628	0.7
247.05946	4.6
253.04942	2.1
255.06415	0.8
257.04419	11.8
258.05188	0.9
259.05954	3.5
263.05438	22.9
269.04431	4.5
271.05838	3.9
273.03763	0.7
275.05460	18.7
277.06818	0.6
281.04422	1.3
285.03748	0.7
287.05429	38.4
291.08585	7.5
295.05988	0.6
297.03897	0.9
299.05374	9.4
300.06528	0.5
305.06500	12.6
309.03903	0.8
311.05426	2.2
313.07132	0.6
317.06506	6.1
321.07513	0.9
323.05331	0.8
339.04797	0.7
349.06955	2.3
363.64182	0.6
377.06699	0.7
393.05505	0.9
395.07541	1.0
405.05984	5.2
409.09070	1.2
413.08521	5.8
417.05667	0.7
423.06989	14.2
425.08453	5.7
427.10095	2.9
435.07071	3.9
441.08020	6.7
443.09659	5.3
447.06992	1.1
451.10233	0.9
453.07901	3.9
465.08115	3.0
496.47940	0.6
561.10315	0.7
567.11163	0.7
573.10327	0.8
595.14423	5.0
775.60187	0.6
866.68689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17004	0.5
67.05147	1.0
67.05490	22.3
69.03404	7.4
69.07052	12.7
71.04976	2.0
71.08613	23.7
71.30123	0.5
73.02895	11.4
76.75285	0.5
79.05471	17.6
81.03401	9.0
81.07036	23.7
82.04167	3.8
83.01317	0.8
83.04959	11.0
83.08121	0.7
83.08600	15.2
84.34792	0.4
85.02885	17.2
85.06516	0.6
85.10165	14.6
87.04445	0.6
88.41714	0.5
89.06007	1.0
91.03940	8.8
91.05450	11.7
93.07021	10.4
94.07771	0.5
95.04940	11.1
95.08007	1.0
95.08583	21.6
97.02874	11.0
97.06515	5.6
97.10146	14.3
98.07284	5.6
99.04433	2.2
99.08086	0.6
99.11713	0.8
101.05990	1.0
103.07559	0.9
104.86066	0.5
105.07002	6.1
107.04915	2.7
107.08573	8.4
109.06467	2.3
109.10140	12.0
111.08050	3.3
111.11684	0.7
114.35330	0.5
115.03931	0.5
115.07503	0.5
116.04694	17.8
117.06962	2.3
119.08563	5.8
120.09341	0.6
121.06516	1.2
121.10128	2.9
123.08010	3.3
123.11655	3.1
124.67122	0.5
125.09612	12.5
127.03876	3.2
127.11102	0.7
129.05450	41.2
129.06978	2.6
131.08549	3.6
133.10115	5.5
135.07959	1.8
135.11639	3.3
136.08774	0.9
137.09598	0.8
137.13223	1.2
139.07607	0.5
139.42032	0.5
143.07004	10.1
145.04926	2.8
145.10136	2.4
147.07964	0.7
147.11678	4.1
149.09554	1.1
151.11235	0.7
153.12738	0.6
156.01903	0.6
157.08577	18.0
157.10043	2.4
158.05730	1.2
163.05975	2.1
163.11137	2.4
164.11966	0.5
164.43060	0.6
165.12723	0.8
171.06488	2.8
171.10141	5.5
175.11128	1.9
185.08031	0.9
185.11685	2.1
189.11177	10.6
193.12230	2.5
199.13278	4.0
200.14008	2.9
202.65463	0.5
210.12509	0.8
227.12758	10.3
239.23567	2.6
251.27809	0.6
255.15866	3.3
257.24747	3.2
267.15927	4.8
269.17453	0.6
283.15359	1.1
298.77356	0.5
301.16394	100.0
302.46991	0.5
311.21875	1.1
313.27304	72.9
314.27652	0.7
331.28439	0.5
367.28302	5.9
381.29764	0.7
395.31439	2.7
438.36966	1.0
467.37320	0.7
505.38519	3.8
521.37915	1.0
522.38770	2.7
539.39319	86.8
540.39380	0.9
820.82446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	25.7
69.03425	6.0
69.07060	11.5
71.08623	22.0
73.02905	7.9
79.05473	15.7
81.03388	10.3
81.07040	30.2
82.04196	1.9
83.04975	13.0
83.08607	14.5
85.02898	13.6
85.06538	1.6
85.10159	11.5
91.03947	8.1
91.05458	15.8
93.07037	15.0
93.56404	1.2
95.04961	8.5
95.08595	23.8
97.02855	11.0
97.06499	5.5
97.10156	9.7
98.07293	2.6
99.08096	1.6
105.07037	8.2
107.04944	5.9
107.08601	11.9
109.10162	15.7
111.04437	2.7
116.04707	6.0
117.07016	2.1
119.08592	5.7
121.06493	1.6
121.10089	5.2
123.08053	2.3
123.11653	2.1
125.09618	7.3
129.05455	19.7
129.06975	1.5
131.08598	4.6
133.10150	1.6
135.07973	1.8
135.11687	7.1
137.09639	1.7
143.07025	6.3
145.10117	5.2
147.07991	1.6
147.11708	3.3
157.08624	8.7
157.10039	1.8
163.11130	2.6
171.06474	1.6
171.10049	2.8
173.09618	1.8
189.11252	2.0
191.10617	2.0
193.12276	1.6
199.13242	2.9
209.11768	8.6
227.12793	5.8
229.83257	1.4
239.23788	1.8
255.15964	5.7
267.16025	2.4
283.15359	26.4
301.16400	38.0
313.27332	72.4
367.28287	6.6
395.31488	2.2
477.64719	1.5
505.38623	5.5
521.38153	13.2
539.39301	100.0
540.39154	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	894.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03065	1.1
69.03414	22.5
73.02901	1.4
74.08488	0.5
75.04467	0.7
79.05466	0.8
81.03394	3.5
83.04937	0.6
85.02888	44.8
87.04443	12.8
91.03963	1.0
91.05452	20.6
95.08547	0.8
97.02866	20.7
99.04454	2.7
102.64777	0.6
103.03922	0.7
103.05434	3.3
105.07008	10.7
107.04922	0.9
107.08551	0.9
109.02866	3.1
109.06412	0.6
115.03905	14.6
115.05437	1.2
117.07003	4.6
119.08541	6.6
127.03887	7.0
128.06190	4.1
129.06982	8.4
130.07727	1.1
130.13463	0.6
131.04903	11.3
131.08540	12.7
133.04942	11.8
133.06451	1.2
133.10130	1.1
141.06947	7.9
142.07764	15.3
143.08548	24.4
144.09343	7.0
145.04947	5.5
145.06424	1.1
145.10092	23.9
145.11220	1.0
147.07993	1.4
147.11647	6.0
150.07625	1.0
153.06999	0.9
154.07733	6.9
155.08530	5.9
156.09311	97.3
156.50130	0.6
157.06526	1.0
157.10097	63.2
158.10878	17.9
159.08023	2.9
159.11656	98.8
160.11996	1.0
161.09581	3.3
163.07538	2.5
163.11229	0.9
167.08554	2.7
169.10080	37.5
171.11649	100.0
172.08780	4.9
172.11974	1.2
173.09563	13.8
174.10373	1.1
175.07536	0.9
175.11124	9.5
176.11882	0.8
177.12749	2.5
182.07233	0.7
183.07973	4.6
185.09601	10.1
187.07506	0.9
187.11127	25.2
187.12807	0.9
189.09030	1.2
191.10666	4.5
195.08006	2.3
197.09570	48.2
201.09071	46.5
203.10626	21.6
205.12184	3.1
213.09059	7.6
215.10641	33.1
219.10135	2.9
221.11693	1.3
223.09560	3.5
229.08603	2.8
231.10092	11.5
233.11667	69.9
237.07353	0.8
241.08664	1.5
247.09586	2.5
249.11182	7.1
251.12712	3.4
253.10947	0.7
259.10028	4.4
265.10617	8.0
277.10660	68.3
295.11719	64.1
313.12747	6.0
420.18472	1.0
457.17001	3.5
475.17944	5.4
492.20731	16.3
877.52393	0.7
892.95746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.1
69.03412	4.5
69.07061	2.4
70.81985	0.5
71.05002	0.4
71.08610	0.8
73.02908	4.4
75.95487	0.5
79.05494	3.1
79.95889	0.5
80.31941	0.4
81.03409	3.8
81.07048	4.8
83.04988	0.6
83.08625	0.6
85.02896	8.7
91.03939	4.4
91.05482	2.9
93.07015	3.6
95.05006	1.1
95.08614	3.3
97.02875	7.1
99.04482	0.5
101.02402	2.8
105.07039	1.0
107.04998	0.6
107.08593	1.1
109.02887	0.7
109.06483	0.5
115.03928	0.6
118.32491	0.7
119.08601	1.1
121.10146	1.0
127.03911	1.0
131.08598	0.5
133.10141	0.6
180.22897	0.5
185.04356	0.5
193.12392	2.0
243.08446	1.8
251.12512	0.5
313.27463	0.8
347.09323	3.5
365.10565	1.7
405.13696	6.4
410.30923	0.6
469.20490	11.1
497.30695	4.2
502.44250	0.5
525.40771	0.6
529.38806	1.1
548.67413	0.5
631.25623	8.4
659.35883	4.1
725.44452	2.4
887.49615	100.0
888.49408	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	886.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.6
67.05494	60.7
69.03407	11.0
69.07064	15.0
71.01343	2.3
71.04968	5.2
73.02891	17.9
74.38028	1.2
79.05474	45.2
80.06268	1.3
80.33375	1.1
81.03395	35.5
81.07038	44.3
82.04195	12.3
83.01357	1.2
83.04966	26.9
83.08601	17.7
84.02112	1.1
84.05744	2.1
85.02896	25.0
85.06525	2.1
91.03951	11.9
91.05460	35.2
93.07023	34.9
94.04173	1.4
94.07832	1.3
95.04944	36.0
95.08581	17.6
96.05734	1.9
97.02866	20.8
97.06505	13.4
97.10155	30.1
98.07284	14.4
99.04417	2.1
99.08070	2.2
101.06034	1.8
101.14656	1.4
105.07016	26.2
107.04939	16.4
107.08570	27.4
109.02895	1.6
109.06518	7.3
109.10138	20.1
111.04456	2.6
111.08045	9.6
116.04694	31.9
117.05416	1.4
117.06969	12.2
119.08561	21.3
121.06488	6.8
121.10108	10.8
123.08051	15.6
125.09608	34.1
127.03876	5.5
127.11204	2.5
129.05457	82.7
129.06998	8.0
130.07805	1.5
131.08548	11.6
132.09422	1.4
133.10114	15.7
135.08044	8.4
135.11646	10.2
136.08749	1.4
137.05972	1.7
137.09598	2.9
139.07567	1.4
143.07037	12.3
143.10693	1.7
145.04892	1.7
145.10129	12.5
147.11684	11.9
149.09579	2.7
153.09093	6.1
153.12677	2.6
157.08588	37.6
157.10072	7.6
158.05705	2.6
163.06058	1.8
163.11127	13.3
165.12688	2.3
171.06509	2.6
171.10156	15.9
173.11792	2.9
175.11227	2.1
181.12225	6.0
183.06534	1.6
185.11714	3.0
186.23773	1.3
189.11182	17.2
191.10649	2.4
193.12102	10.1
199.13255	16.0
200.14096	5.5
201.14861	1.9
209.11755	10.1
211.13264	5.1
217.14235	2.1
223.13229	1.7
227.12738	24.1
229.14337	6.5
253.14186	1.4
255.15874	5.1
267.15878	13.0
283.15384	15.5
301.16403	100.0
355.17493	2.4
361.70029	1.5
369.22980	1.5
381.05167	1.4
383.20407	1.8
425.24954	1.5
443.26324	7.5
455.26202	19.1
493.27881	5.7
509.27036	7.9
510.28046	6.2
527.20490	2.9
527.28424	85.2
528.28595	2.0
576.00787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.3
67.05466	0.8
68.99770	7.3
79.05498	0.5
81.03395	2.7
83.04971	0.7
85.02883	0.8
89.03888	0.7
91.05456	1.0
95.04948	1.1
97.02869	0.6
101.86323	0.5
102.43365	0.6
105.03365	0.8
107.04931	3.5
109.02837	5.1
111.00786	14.3
111.04429	4.2
113.16129	0.5
115.05383	0.8
119.04911	2.2
121.02859	2.5
123.04397	38.2
127.03885	81.6
131.04852	1.0
133.02844	2.4
135.04391	36.7
136.04646	0.5
137.02318	2.9
137.05907	0.5
139.03876	63.5
143.04855	0.7
147.04388	12.2
149.02327	7.0
149.05920	1.2
151.03880	27.6
151.05113	0.9
153.01811	1.0
153.71100	0.6
155.03384	2.6
155.04810	0.9
157.06425	0.9
159.04393	3.5
161.05969	3.5
163.02487	1.2
163.03868	36.5
165.05444	5.0
165.06711	0.5
167.03410	4.2
169.05000	2.2
169.06461	0.6
171.04370	3.1
173.05972	2.1
175.03839	11.3
177.05428	8.0
179.03355	23.3
181.04941	2.1
181.06412	1.1
183.04396	0.9
185.05946	2.3
187.03793	6.0
189.01729	0.6
189.05386	5.3
191.01891	0.9
191.03378	10.3
193.04955	2.8
197.05962	2.8
199.03796	4.0
201.05431	6.5
203.03351	23.0
203.06946	0.7
205.04951	3.7
210.95589	0.6
213.05424	6.4
215.03378	5.7
215.07004	1.0
217.04944	4.8
219.06519	1.1
223.02316	2.8
225.05450	1.1
227.03389	1.4
229.04878	7.6
231.02855	0.8
231.06462	2.6
233.04370	5.5
241.04851	3.9
243.02902	1.1
243.06561	1.0
244.03722	1.1
245.04387	100.0
246.04707	1.2
247.05994	12.5
251.05356	1.0
253.04999	2.1
255.06462	3.6
257.04416	15.1
259.05957	6.9
263.05432	17.7
265.04932	1.3
267.06375	0.8
269.04364	6.0
271.05936	11.5
274.04633	3.6
275.05417	17.1
281.04431	0.7
283.05920	9.2
285.03915	3.2
287.05420	33.1
289.04041	1.0
289.06989	12.6
291.08597	8.9
293.04410	0.7
295.05884	2.5
297.03998	0.7
299.05530	4.6
301.06982	5.3
303.04944	1.3
303.08423	0.9
305.06418	6.1
307.05765	0.7
309.03799	0.9
311.05298	2.3
313.07062	1.4
323.05344	2.1
349.06808	0.8
351.04919	2.5
361.06921	2.6
365.06244	0.8
379.08102	2.6
383.07394	1.1
389.06305	2.1
391.07962	0.9
393.05701	2.2
395.07510	0.9
405.05853	3.0
407.07553	20.8
409.09119	11.4
411.10782	0.7
413.08383	4.0
419.07437	4.0
425.08508	9.0
427.10199	6.9
437.08530	4.4
449.08322	3.1
451.10043	1.2
467.10037	0.9
533.10394	1.1
545.10272	2.5
548.00641	0.6
551.11597	0.8
557.10559	2.8
579.14709	4.3
593.12030	1.0
695.12866	0.9
856.13715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.2
65.30688	0.5
67.05474	1.0
68.99778	12.8
69.98733	0.5
75.76994	0.5
81.03388	3.1
82.44218	0.5
83.04946	1.4
85.02899	1.1
85.80088	0.6
91.05464	0.7
91.36528	0.6
93.03389	1.1
95.04936	2.5
103.05415	0.6
105.03364	1.1
107.04974	4.2
108.41923	0.5
109.02870	4.3
111.00794	18.0
111.04428	6.6
118.22147	0.5
119.04896	3.0
121.02862	2.5
123.04405	58.7
127.03895	76.2
128.04158	0.6
131.04851	1.3
133.02818	2.8
135.03366	1.1
135.04395	31.7
137.02307	3.1
137.05936	1.3
139.03883	56.0
141.06981	0.8
143.04893	0.8
145.02814	1.2
145.06474	0.7
147.04384	10.2
149.02339	7.6
149.05972	1.3
151.03883	36.2
153.01880	0.9
155.03568	0.6
155.04877	2.6
159.04401	3.4
161.02316	0.7
161.06000	4.2
163.03880	31.6
165.01941	0.9
165.05443	7.8
167.03345	3.1
169.04929	2.5
169.06323	1.0
171.04402	1.0
173.05910	6.4
175.03894	9.8
177.05440	11.5
179.03360	41.6
181.04958	2.7
183.04395	3.2
185.05978	2.3
187.03784	5.3
189.05435	5.2
191.03371	15.9
193.04910	2.9
197.05956	3.8
199.03867	2.8
201.05417	9.7
203.03371	27.1
203.06992	1.4
205.04938	2.3
207.06604	0.8
213.05429	5.4
215.03357	2.4
215.06961	2.8
217.04910	6.0
219.06441	1.5
223.02330	3.5
225.05360	2.4
227.03279	0.9
229.04913	13.5
231.06502	3.8
233.04391	6.1
237.05513	0.7
241.04930	3.6
243.06532	2.8
245.04401	100.0
246.04675	2.5
247.05960	47.7
253.04941	3.1
257.04379	16.5
258.05157	1.3
259.06052	2.8
261.04025	0.7
263.05377	6.5
269.04385	4.6
271.05920	15.4
275.05426	25.5
279.06653	0.7
281.04150	2.0
283.05954	1.3
285.03864	0.9
287.05457	32.1
289.06992	6.3
291.05923	0.7
291.08630	10.4
295.06015	3.5
296.63379	0.7
297.03912	1.2
299.05435	11.9
305.06491	7.6
309.03799	0.9
311.05472	2.9
317.06522	6.1
321.07370	2.6
323.05368	1.3
337.06839	0.7
339.04742	1.0
347.07663	0.9
349.06931	2.4
351.04749	2.2
361.07242	0.7
377.06454	2.4
379.08167	1.3
387.04663	0.7
393.05957	2.6
395.07617	0.7
397.09161	7.0
405.05917	6.7
407.07349	3.6
409.09103	3.4
423.07019	17.1
425.08722	9.4
427.10071	3.5
435.06943	2.1
441.08206	5.8
443.09811	5.2
449.08603	1.0
451.10110	1.2
453.08075	5.9
467.09628	0.9
469.11160	0.8
533.10492	1.1
545.10577	0.9
557.10773	1.2
571.12396	0.9
575.11151	0.9
594.47931	0.6
595.14374	4.9
731.15784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37656	0.2
62.81339	0.3
65.03905	0.5
65.48533	0.3
67.05489	22.4
69.03415	5.1
69.07048	10.2
71.04968	4.1
71.08610	21.8
73.02896	4.8
79.05470	19.5
79.05893	0.5
81.03394	51.6
81.07032	29.0
81.78993	0.3
83.04961	13.3
83.08598	25.3
85.02884	34.5
85.06488	1.5
85.10160	13.2
87.04417	0.7
89.05991	1.1
91.03412	0.3
91.03930	8.2
91.05456	23.6
93.07021	14.2
95.04944	20.2
95.08581	23.9
96.04459	0.5
97.02867	11.2
97.06488	3.2
97.10143	6.8
99.04405	0.6
99.08016	1.3
103.05406	0.3
103.07505	0.7
105.04491	0.4
105.07010	18.0
107.04944	5.9
107.07990	0.3
107.08573	6.4
109.02818	0.6
109.06497	5.1
109.10130	9.1
111.04368	1.5
111.08063	8.3
111.11710	1.0
113.05988	2.5
115.03880	0.5
115.05377	1.5
117.06956	0.6
118.09005	0.3
119.04907	0.5
119.08556	16.1
121.06416	1.3
121.10108	7.7
123.08028	2.5
123.11676	4.3
125.09538	0.4
127.03851	3.5
127.07462	0.4
129.06961	8.9
131.07635	0.6
131.08531	9.6
133.06451	2.6
133.09178	0.5
133.10086	9.4
135.11586	0.4
135.50880	0.3
137.09555	1.7
137.13202	1.7
142.07707	1.7
145.04922	2.8
145.10023	1.3
147.08035	3.4
147.11650	13.7
149.09607	6.6
151.11063	0.7
157.10085	14.0
163.05956	1.6
163.11082	0.5
165.12669	2.6
175.11136	13.3
193.12204	33.8
211.13239	35.9
221.22485	0.4
239.23584	1.6
242.82112	0.3
257.24673	1.5
257.95251	0.3
267.15839	15.6
285.16885	50.5
313.27292	63.3
314.27750	0.6
352.74457	0.3
492.98621	0.4
505.38770	14.8
523.39819	100.0
524.40753	2.2
543.55273	0.3
688.68610	0.4
760.47412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	18.5
67.60519	1.0
69.03407	1.9
69.07063	9.2
71.04967	4.4
71.08612	25.7
73.02888	3.9
79.05479	16.5
81.03397	35.7
81.07037	31.5
83.04964	8.1
83.08604	19.1
85.02887	29.7
85.06516	1.8
85.10182	12.4
87.15878	1.0
89.06036	1.5
91.03925	6.8
91.05465	19.9
93.07024	11.3
95.04928	14.3
95.08582	24.5
97.02868	9.6
97.06516	1.7
97.10148	4.8
99.08035	1.2
105.07009	16.2
107.04927	5.2
107.08553	5.7
109.06506	1.5
109.10128	7.8
111.08015	5.2
119.08541	12.2
121.10117	7.5
123.08031	1.4
123.11671	4.0
125.88174	1.0
127.03860	1.6
128.23959	1.0
128.33453	1.0
129.06950	7.8
131.08527	9.1
131.15935	1.4
133.06474	1.3
133.10075	7.5
142.07790	1.1
145.10077	1.1
147.11633	9.5
149.09576	2.7
157.10114	10.6
175.11118	10.9
191.28970	1.1
193.12201	26.6
206.50104	1.0
206.78296	1.0
211.13234	18.7
257.24756	1.3
267.15897	8.7
285.16901	30.4
313.27307	68.0
319.03104	1.1
505.38763	18.2
523.39807	100.0
524.40173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	14.1
67.05187	1.1
67.05500	17.0
69.03390	3.0
69.07071	6.6
71.04974	3.7
71.08620	24.3
71.09010	1.1
73.02898	5.4
79.05480	16.3
81.03397	8.8
81.07043	24.2
83.01328	9.0
83.04965	9.1
83.08607	16.1
85.02884	19.5
85.10161	11.9
89.05970	1.0
91.03938	10.6
91.05466	10.4
93.06480	1.3
93.07025	23.3
95.04943	5.4
95.08585	20.0
97.02883	10.0
97.06506	3.7
97.10117	4.4
99.04426	4.6
105.07015	8.8
107.04951	7.6
107.08585	13.9
109.02883	1.0
109.06509	6.7
109.10155	9.3
111.04455	1.3
111.08065	1.4
114.36161	0.8
117.07002	6.7
119.08549	5.3
121.06499	3.3
121.10117	5.5
121.74366	0.8
123.08067	7.6
123.11681	3.4
125.05975	1.8
125.09586	1.3
127.03893	3.8
129.06972	1.0
130.07753	1.3
131.08507	2.0
131.95265	0.8
133.10182	1.7
135.08047	1.2
135.11649	9.0
145.04944	1.6
145.10130	15.1
147.08028	0.9
149.09625	1.1
153.12621	1.4
155.08533	1.2
163.05992	1.3
163.11140	20.9
166.04720	0.9
168.77654	0.8
173.09549	1.9
181.12213	3.9
191.10658	1.3
196.23891	0.8
209.11688	4.8
227.12682	1.0
239.23715	1.5
257.24741	3.3
283.15363	100.0
284.15744	1.4
313.27316	79.7
327.93112	0.9
461.92865	0.9
507.73920	1.0
521.38293	59.6
522.38409	1.2
524.27667	0.9
588.81525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	20.9
64.33540	0.9
64.51476	0.8
65.03924	2.0
67.05493	53.0
69.03413	12.8
69.07051	14.8
71.01347	1.7
71.04975	8.0
73.02900	12.7
73.06549	1.1
79.05473	51.8
81.03394	100.0
81.07035	51.2
82.04179	4.7
83.04958	33.8
83.08600	33.5
83.14222	1.1
84.02118	1.3
85.02885	48.3
85.06515	3.9
87.04436	3.9
91.03916	13.4
91.05455	54.3
93.07021	34.1
95.04945	48.2
95.08578	20.2
97.02862	18.8
97.06519	12.7
97.10138	18.8
98.07295	6.9
99.04400	2.0
99.08085	2.3
101.05972	1.3
105.07011	37.7
107.04932	17.2
107.08585	19.3
109.06497	9.4
109.10139	14.2
111.04412	6.6
111.08063	19.7
113.05967	5.0
115.05415	1.8
116.04684	18.7
117.06977	7.2
119.08559	35.9
121.06475	4.5
121.10108	12.4
123.08044	8.4
123.11623	1.8
125.05965	1.2
125.09599	19.4
127.03854	2.3
127.11119	1.1
128.06181	1.0
129.05461	37.2
129.06953	18.6
131.08539	22.3
132.53307	1.0
133.06454	4.3
133.10095	21.5
135.04352	1.2
135.08038	2.3
135.11673	4.5
137.05907	1.2
137.09601	5.2
142.07730	6.4
143.07030	7.6
143.10782	0.9
145.04915	4.0
145.10117	6.4
145.70000	1.1
147.08047	6.9
147.11655	24.4
149.09570	12.5
153.09021	1.4
153.12671	1.9
155.08539	1.3
157.08580	17.4
157.10100	21.1
158.05740	2.4
163.05951	1.3
163.11157	6.3
165.12721	6.4
170.69626	1.0
171.06551	2.2
171.10118	7.4
173.09595	1.5
173.11703	2.3
175.11168	22.5
181.12260	1.3
185.08110	1.3
185.11691	2.2
189.11218	6.9
191.10620	1.7
192.11276	1.1
193.12198	66.6
193.13953	2.2
199.13237	14.6
200.14030	1.4
201.14806	1.5
209.11690	6.1
211.13248	67.3
214.26984	1.0
227.12668	12.3
229.14183	2.3
247.13264	2.0
255.15791	2.0
267.15866	24.6
283.15344	13.4
283.18408	1.4
284.15961	1.1
285.16879	45.9
301.16370	35.7
321.16663	1.4
331.70609	0.9
339.17795	3.8
339.21561	1.3
367.20929	1.3
409.25861	7.2
427.26730	10.4
439.26816	28.7
459.27240	5.9
475.26566	4.9
477.28293	2.3
493.27878	16.1
494.28415	2.3
511.28928	71.9
512.28943	2.0
516.04181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87275	0.7
61.02916	13.9
65.03917	0.9
65.38944	0.6
67.05492	31.7
69.03408	9.4
69.07050	8.7
71.04975	6.8
73.02903	5.2
74.91983	0.6
77.03860	0.7
79.05473	32.3
80.09866	0.6
81.03398	100.0
81.07036	43.5
83.04465	0.8
83.04963	24.9
83.05434	1.3
83.08602	33.8
85.02888	55.7
85.06519	3.3
87.04475	1.0
91.03927	8.7
91.05458	51.5
92.08556	0.6
93.07021	27.4
93.24636	0.8
95.04944	37.7
95.08590	14.4
97.02871	11.2
97.06495	5.2
97.10152	6.4
99.04464	0.8
99.08043	0.9
105.07008	38.9
107.04945	11.7
107.08582	11.3
109.06488	7.2
109.10125	4.6
111.04424	3.4
111.08073	15.2
113.05984	4.0
115.05435	3.2
117.06973	2.6
119.08556	32.0
121.06501	1.3
121.10126	12.3
123.08032	3.8
123.11674	3.2
125.09622	1.2
127.03930	2.9
129.06979	18.7
131.08539	19.7
133.06468	4.9
133.10101	19.6
136.46439	0.7
137.05981	1.2
137.09595	1.6
142.07707	5.9
145.04901	1.0
145.10077	2.9
147.08055	6.1
147.11659	23.9
149.09605	10.8
157.10092	23.0
162.86833	0.7
163.11086	1.2
165.12711	5.4
172.83537	0.8
175.11154	24.9
193.12198	62.9
201.03064	0.6
211.13252	62.3
230.89932	0.8
267.13004	1.6
267.15845	34.0
285.16904	61.2
385.23727	4.0
433.25674	2.8
441.25998	1.0
459.27298	31.5
477.28372	30.9
495.29391	81.6
496.29703	3.0
633.72510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24734	0.6
65.03933	1.1
67.05503	0.9
68.99420	1.0
68.99771	11.5
77.03925	0.7
79.05474	0.7
81.03397	2.8
83.04951	0.9
84.87661	0.6
85.02893	1.3
89.03888	1.3
91.05486	0.7
92.63525	0.6
93.03399	2.3
95.04935	2.4
105.03399	0.8
107.04939	7.1
109.02868	3.9
111.00777	11.5
111.04434	8.9
115.05416	0.7
117.03351	0.8
117.06988	0.7
119.04919	1.2
121.02851	2.6
123.03671	0.8
123.04402	69.4
127.03893	88.3
131.04918	3.4
133.06468	0.8
135.04395	71.7
137.02321	5.1
137.05974	1.3
139.03882	42.8
141.06990	0.7
143.04910	1.2
145.02837	0.7
145.06459	1.1
147.04385	9.1
149.02332	9.1
149.05984	3.4
150.03069	0.8
151.03896	11.6
153.01833	0.8
155.04932	2.7
157.06522	0.7
159.04419	5.3
161.02318	0.6
161.05911	5.6
163.03871	63.7
165.01852	0.9
165.05508	4.2
167.03336	4.7
169.04921	2.3
169.06459	1.3
171.04347	0.7
173.05963	7.3
173.86525	0.5
175.03877	4.8
177.05423	9.6
179.03380	9.2
181.04932	1.2
181.06459	0.7
183.04431	2.6
185.05937	1.0
187.03839	10.2
187.07518	0.9
187.54312	0.7
189.05452	3.1
190.02654	0.9
191.03363	15.8
193.04939	3.3
197.05910	5.9
201.05426	11.8
203.03360	14.3
203.07050	2.8
205.04947	3.3
207.02853	0.9
213.05432	3.8
215.03392	5.1
215.06975	2.7
217.04939	2.3
219.06589	0.9
223.02379	2.8
225.05437	2.9
227.07086	0.6
229.04924	13.4
231.02780	0.9
231.06532	2.4
233.04404	5.4
235.02391	0.9
237.05368	1.0
241.04951	2.9
243.02759	2.4
243.06392	6.1
245.04391	100.0
246.04683	2.2
247.05960	43.7
248.06416	0.8
251.05370	0.6
253.04926	2.8
255.06491	3.9
257.04376	16.2
258.05035	0.7
259.05930	6.9
261.07611	0.9
263.05469	1.1
265.04980	1.0
267.06570	0.9
269.04453	6.4
271.05923	21.8
273.03836	1.1
274.04590	5.5
275.05432	21.9
281.04431	2.4
283.05927	10.6
285.03864	2.7
285.07281	0.9
287.05447	16.2
289.06967	19.3
291.08560	9.1
295.05923	2.7
297.03915	2.6
297.07385	0.8
299.05420	4.9
301.06973	6.7
303.04938	0.7
307.05966	1.3
309.03857	0.9
311.05457	2.6
313.07028	2.3
319.05896	1.1
323.05341	2.6
349.07318	0.6
351.04843	3.3
361.07025	1.3
379.08054	4.2
383.07468	1.2
389.06464	1.8
391.08060	3.1
393.05927	4.0
397.09241	7.1
405.05902	3.1
405.29666	0.6
407.07553	21.8
409.09015	15.1
411.10684	2.3
419.07440	5.4
421.08899	1.1
425.08591	7.6
427.10229	8.6
433.08981	2.6
437.08612	10.3
449.08551	2.9
451.09921	3.0
527.09613	1.1
541.10803	1.0
545.10571	3.0
559.12518	1.3
577.13068	1.1
579.14648	3.6
697.15240	3.4
884.79388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09369	0.8
69.03408	3.7
79.05470	1.4
80.04971	0.9
81.03394	1.6
82.06559	1.0
85.02880	6.5
87.04465	0.8
91.05459	1.7
93.07039	4.2
94.06541	9.5
95.07310	2.1
96.08112	9.7
97.02884	1.9
106.06529	4.5
107.07327	1.0
108.08117	15.5
110.09665	22.0
114.57513	0.8
120.04442	1.5
120.08106	14.6
122.06018	17.4
122.09636	5.0
124.07565	10.4
127.03883	1.5
132.08086	1.1
134.05994	1.1
136.06601	1.7
136.07550	21.7
138.05455	2.0
138.09128	29.3
144.04457	3.3
146.05986	21.4
148.07555	14.2
150.09142	12.7
152.07051	17.2
158.05956	1.1
160.03891	1.3
160.07486	1.2
162.05482	1.7
164.07028	10.8
166.08606	72.1
172.03908	27.5
174.05521	1.4
182.08060	1.2
182.09546	0.9
190.04977	18.3
197.10707	1.5
198.11484	1.7
199.12238	2.0
204.06546	27.9
210.11485	3.6
211.12263	7.1
218.08122	3.7
222.11447	1.8
223.12206	4.5
225.10349	6.5
225.13876	2.0
226.10933	3.8
227.11711	5.0
235.08574	1.6
235.12242	1.5
236.09311	4.1
237.10153	8.2
237.13736	1.6
238.10980	7.0
239.11710	12.6
241.13383	1.2
245.12857	1.4
246.07521	1.2
246.23135	1.0
249.10181	14.3
250.10909	8.5
251.11765	20.3
252.12450	2.0
253.09773	1.2
253.13278	8.8
255.11311	3.5
256.11914	1.0
257.12802	2.2
263.11722	40.5
264.08621	1.1
264.12515	7.3
265.09705	5.6
265.13293	19.0
266.10248	2.2
266.13864	1.1
267.11148	11.8
268.12054	1.2
269.12744	5.5
271.14322	6.5
273.12363	3.8
275.11703	1.2
277.09607	4.0
278.10312	6.8
279.11273	27.3
280.11752	3.5
281.12762	18.1
282.09961	3.7
283.10706	2.2
283.14267	2.1
284.11322	1.5
285.12305	12.4
287.13922	1.9
291.11221	35.9
292.11899	7.9
293.12762	26.1
295.10638	7.0
296.11517	2.2
297.12283	40.0
298.12927	5.0
299.13828	17.9
306.09845	1.2
307.10608	3.5
309.12335	22.4
310.12973	1.7
311.10455	2.4
311.13770	15.9
313.11777	1.3
315.13266	12.6
319.10760	22.5
321.12283	5.6
323.10156	7.4
325.11777	35.2
325.15332	1.6
327.13300	4.5
330.15823	1.4
337.11774	100.0
338.12155	1.4
339.13257	4.3
355.12701	3.9
357.14340	10.4
369.14310	5.7
374.43689	1.0
399.15454	2.1
401.13321	5.5
416.16208	1.5
418.21408	1.3
430.17599	1.3
432.19095	4.2
444.18768	4.8
446.20621	5.1
448.18250	1.1
449.18982	1.8
450.20169	1.9
458.16428	1.6
462.19931	5.6
464.21841	13.2
472.18408	6.4
474.20264	1.2
482.18884	1.7
487.16748	2.0
490.19647	27.9
494.18872	1.0
508.20432	1.0
522.22345	14.6
603.28088	1.3
611.24884	3.9
626.26965	18.8
629.25781	7.3
634.24042	1.7
647.27020	26.1
652.13861	1.7
652.24933	50.5
653.24939	2.1
679.29724	8.6
684.27466	19.7
685.28522	1.1
692.24640	1.1
791.30530	2.0
809.32318	9.7
841.34650	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.3
65.03947	1.2
67.05495	75.9
67.07374	1.0
68.46719	0.9
69.03428	6.1
69.07055	28.1
71.04975	4.9
73.02910	1.6
79.05476	75.9
81.03388	11.0
81.07041	100.0
83.04967	14.2
83.08608	19.9
85.02886	2.2
85.06535	4.4
91.05466	42.9
91.70878	1.0
93.07024	74.6
95.04954	25.4
95.08586	52.1
97.02870	1.3
97.06509	11.1
97.10146	25.0
105.07016	32.8
105.07661	1.9
106.21284	1.2
107.04955	11.2
107.08581	39.5
109.06503	11.4
109.10152	20.7
111.04420	12.9
111.08065	7.8
117.06992	17.5
119.08562	36.4
121.06484	9.4
121.10136	24.5
123.08055	20.0
123.11700	2.8
125.09599	19.6
129.06989	6.2
131.08560	21.8
133.06458	2.1
133.10112	20.1
135.08047	9.2
135.11668	15.8
137.09615	7.5
142.07813	1.8
143.08543	5.1
145.06526	2.0
145.10107	22.0
147.08041	9.8
147.11671	10.3
149.09619	6.3
149.13261	5.8
153.09122	2.7
153.12762	6.9
157.10127	6.4
159.11682	8.3
161.09604	5.5
161.13214	4.2
163.11118	16.6
165.09120	2.5
169.10133	1.5
171.11739	3.8
173.09586	4.9
173.13268	4.5
175.11232	2.3
181.12250	5.9
185.13187	1.8
187.14812	1.8
189.11218	10.4
191.10677	5.0
193.12277	1.5
209.11697	1.8
227.12694	9.0
259.20294	1.3
261.22183	5.7
273.18420	23.7
291.19498	47.5
309.20535	4.6
321.44330	1.1
335.25751	82.8
336.26120	1.9
347.21909	1.5
365.23120	28.5
383.24207	16.9
505.34866	1.7
594.73450	1.4
607.43079	4.8
625.44543	43.2
631.73145	1.2
643.45563	44.8
644.45673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80260	1.4
61.02920	1.8
65.03912	2.5
67.05145	3.3
67.05491	76.7
69.03405	3.6
69.07052	31.8
71.04957	4.1
76.62801	1.7
79.05470	76.4
81.03397	12.0
81.07038	100.0
83.04961	23.0
83.08605	21.6
85.02891	3.9
85.06538	2.8
91.05459	46.6
92.09338	5.4
93.07019	70.3
95.04941	21.5
95.08582	43.2
97.06526	8.3
97.10149	28.6
97.61243	1.7
99.04431	2.7
99.08102	1.9
105.07013	39.6
107.04961	12.8
107.08582	39.1
109.06523	14.8
109.10123	24.5
111.04430	17.4
111.08078	9.4
117.06996	20.4
119.08553	32.5
121.06474	8.9
121.10110	21.9
123.08030	26.9
123.11700	4.2
125.09579	19.3
128.06168	2.1
129.06964	9.3
130.07742	2.3
131.08528	20.3
131.88087	1.9
133.06476	3.4
133.10132	15.4
135.08009	8.1
135.11650	18.6
137.09618	9.1
143.08554	7.7
145.10098	25.4
147.08063	7.8
147.11662	13.7
149.09604	9.3
149.13231	4.1
153.09047	2.5
153.12704	6.8
154.07767	1.8
157.10103	2.7
159.08009	2.4
159.11647	7.5
160.90378	1.6
161.09598	6.9
161.13225	2.3
163.11136	14.2
169.10004	2.4
171.10234	2.4
171.11722	2.2
173.09569	2.7
175.11105	3.1
181.12260	5.9
185.13139	2.0
189.11110	13.5
191.10638	2.3
193.12209	3.5
223.13499	2.2
227.12700	12.7
273.18323	20.7
291.19476	48.8
309.20569	9.5
335.25748	58.2
347.22198	2.9
365.23233	22.7
383.24203	21.3
427.62891	1.6
607.43665	3.5
625.44476	40.3
643.45520	39.2
755.69659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.7
68.35413	1.4
69.03397	6.8
78.94310	1.2
81.03391	3.1
83.08556	1.5
85.02880	6.2
93.07005	5.3
94.06526	10.2
95.07332	2.8
95.08533	1.4
96.08105	9.8
97.02847	1.7
98.97570	5.3
106.06583	1.8
108.04470	2.0
108.08105	15.9
110.09663	15.6
116.04933	2.1
116.98570	5.1
120.04467	1.8
120.08112	10.7
121.10090	1.7
122.05997	11.6
122.09679	1.8
124.06793	1.2
124.07536	11.1
133.10114	2.3
134.06001	5.4
136.07559	20.0
137.09555	1.8
138.09123	20.4
144.04434	6.3
146.05977	10.5
148.07549	7.7
152.07043	3.1
160.03918	5.9
162.05481	7.8
164.07130	1.7
166.08606	26.7
172.03899	46.2
174.05472	1.9
176.07014	6.7
185.10815	1.8
190.04947	36.0
191.10718	1.5
193.90045	1.3
197.10696	1.8
198.07613	1.8
199.08720	1.8
204.06512	53.5
211.08583	1.4
212.09296	2.2
213.10197	6.0
215.11781	2.5
223.12175	1.6
225.10075	2.8
227.11795	2.6
237.10205	5.5
238.11076	1.9
241.09735	6.4
243.11220	20.5
243.13403	1.8
245.12872	1.5
249.10204	2.0
251.11702	2.5
253.09639	2.4
255.11450	3.7
257.09216	1.9
257.12738	2.0
259.10785	1.6
263.07959	1.3
263.11868	1.6
264.08856	5.0
265.09659	2.3
266.10229	1.5
267.11307	2.7
269.09210	6.4
271.10675	5.1
273.12308	7.2
277.09433	1.9
279.11194	6.2
281.12833	2.0
283.10834	7.8
284.11371	1.8
285.12247	25.7
287.10178	9.0
294.09644	1.4
297.12292	14.0
301.11838	5.0
302.12802	2.7
303.13364	29.1
307.10876	2.1
309.12289	2.2
311.10477	1.6
313.11887	2.3
323.10181	6.4
325.11789	28.4
326.12747	1.6
327.13351	6.1
328.10941	1.4
329.11014	1.7
330.12408	1.9
331.12823	1.5
332.17200	1.5
343.13052	9.0
344.13947	2.2
346.15317	3.2
357.14380	22.6
358.15274	8.1
367.11880	1.3
370.11533	2.5
371.12512	1.9
372.13306	5.0
373.14020	2.0
374.14749	2.7
384.17221	1.9
385.14294	2.0
386.14810	11.2
387.15527	2.8
392.16083	2.3
396.13202	1.7
401.13348	2.3
402.13959	3.0
404.15900	6.7
406.17465	2.1
409.14999	8.3
414.14255	14.1
415.15204	28.0
416.15970	3.0
418.18091	1.7
420.15433	7.1
430.17593	2.6
432.15512	17.5
434.16934	1.5
438.16254	1.7
444.15244	5.4
446.16977	5.4
456.15591	11.1
462.16498	11.6
469.17236	2.5
474.16525	31.0
487.17398	10.8
494.19229	2.1
506.18982	10.2
525.81506	1.5
585.22528	1.7
609.23358	5.8
627.24359	100.0
628.23816	2.7
641.26111	2.5
659.26837	23.9
771.27655	2.0
789.29431	28.0
821.31372	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	838.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	13.0
63.66756	0.9
64.68958	0.9
67.05146	2.0
67.05495	54.1
69.03409	4.4
69.07066	20.4
71.04990	7.7
73.02897	5.5
76.56208	1.1
79.05055	2.0
79.05480	41.1
81.03403	71.6
81.07039	77.8
83.04974	20.5
83.08607	28.5
85.02895	34.5
85.06542	4.3
91.03931	6.9
91.05465	43.3
93.07027	58.2
93.07632	1.4
95.04945	30.0
95.08593	23.6
97.02883	10.0
97.06513	12.5
97.10140	4.0
99.08064	4.1
105.07014	24.4
107.04961	9.6
107.08587	31.2
109.06512	7.5
109.10142	5.4
111.04418	1.2
111.08073	13.3
113.05935	1.6
115.05485	1.1
117.07008	7.5
119.08574	19.8
121.06495	2.1
121.10133	24.8
123.07988	2.2
123.11694	4.0
125.09622	2.2
127.03850	4.4
129.06976	10.5
131.08545	19.3
133.06456	1.5
133.10098	14.6
135.08026	2.0
135.11684	5.2
137.09590	1.2
142.07738	1.4
145.04877	1.7
145.10126	1.6
147.08055	2.6
147.11662	12.9
149.09613	6.8
149.13248	22.4
157.10104	17.1
159.11668	7.9
163.05975	1.6
165.12683	2.4
175.11172	18.1
177.12813	1.3
193.12206	39.8
195.13783	6.3
211.13281	33.8
242.10765	1.3
254.97388	1.3
267.15872	34.1
269.17450	49.1
285.16937	21.5
382.66690	1.3
435.27957	1.3
461.28894	82.1
479.29984	100.0
623.33002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	32.8
69.07047	9.6
79.05482	35.3
81.07034	32.2
91.05473	29.3
93.07049	27.3
94.06546	11.7
95.08580	28.1
105.07040	25.9
107.08568	22.5
117.07028	8.0
119.08552	11.4
120.08048	6.5
121.10149	10.3
135.11705	5.9
164.11137	5.6
165.51224	4.8
168.31870	5.3
169.40239	5.4
177.02151	5.2
200.87459	5.8
230.46822	5.2
247.27245	6.4
248.12939	5.5
281.24146	7.6
318.24350	8.6
335.26025	8.4
530.71954	6.2
579.05750	7.2
670.50494	100.0
797.47150	6.6
832.55054	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36249	0.3
59.52717	0.3
61.02904	0.5
65.03857	0.3
67.05493	3.6
68.76099	0.3
69.03423	3.8
69.07056	7.5
70.66195	0.3
71.04984	2.9
79.05473	3.3
81.03391	0.5
81.07037	6.1
82.50503	0.3
83.04974	0.7
83.08630	0.5
83.41441	0.3
84.91544	0.3
85.02892	5.3
85.06531	5.1
87.04442	0.4
91.05436	1.8
93.07024	10.9
95.04953	0.8
95.08591	7.3
97.02887	0.6
97.06510	8.9
99.04432	6.9
105.07023	10.8
107.04894	0.4
107.08577	36.4
109.06514	5.6
109.10155	0.6
111.08079	2.0
111.11738	0.4
113.05992	4.3
119.08543	3.4
120.09251	0.3
121.06482	6.4
121.10120	13.2
122.73081	0.3
123.08043	6.5
125.05970	1.4
127.03911	0.6
127.07552	0.6
131.08589	0.5
133.06490	0.7
135.08044	1.6
135.11658	7.6
137.05905	0.3
137.09503	0.3
137.13275	0.4
139.11137	1.9
141.31779	0.3
145.05014	0.4
145.10109	10.3
147.11673	1.5
149.05933	0.5
149.09633	5.2
151.07532	7.4
153.12717	1.6
157.08614	1.7
159.74265	0.3
163.11159	31.9
164.11426	0.4
165.12770	0.3
167.10657	15.1
169.08574	100.0
170.08850	0.6
173.09566	3.0
181.12202	20.9
185.11697	6.0
191.10635	13.7
209.11725	10.0
213.30830	0.3
227.12750	97.3
228.13158	0.7
241.07285	0.3
245.13792	26.3
344.66620	0.4
571.99652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
65.03934	3.7
67.05499	92.7
67.71689	1.6
67.77899	1.3
69.03423	7.7
69.07063	27.0
69.33627	1.4
71.04981	3.1
79.05484	86.7
81.03397	8.1
81.07045	100.0
83.04974	12.4
83.08630	15.9
85.02904	2.1
85.06544	3.0
91.05467	60.4
91.35803	1.8
93.07035	87.0
95.04952	15.0
95.08591	61.7
97.02879	2.1
97.06518	12.8
97.10139	3.4
99.08099	2.0
103.05452	1.6
105.04501	1.7
105.07021	46.2
107.04977	8.2
107.08591	54.1
109.02848	1.5
109.06518	7.2
109.10164	24.7
111.08073	2.5
115.05468	1.8
117.07023	20.6
119.08565	36.1
121.06499	3.2
121.10122	33.1
123.08051	7.0
123.11709	8.2
125.09673	1.7
129.07004	8.3
129.07974	1.8
131.08565	28.6
133.10117	26.6
135.07999	2.0
135.11662	17.3
137.09624	2.3
141.06963	2.3
143.08611	2.7
145.10117	17.4
147.11641	12.5
149.09653	8.5
149.13277	10.0
157.10127	7.1
159.11650	16.8
161.13206	3.5
163.11165	3.0
163.14729	1.9
169.10175	2.0
171.11703	1.9
173.11841	1.8
173.13261	10.2
177.12791	1.7
185.13220	2.4
187.14821	2.5
195.13914	2.0
197.13399	1.6
219.17445	2.3
229.14331	2.3
232.17651	1.4
232.79372	1.6
255.15933	3.2
257.18906	2.1
261.22186	2.6
269.17480	19.2
275.20105	13.0
335.25757	56.1
336.80142	1.7
349.23758	11.8
515.37061	9.7
529.38965	49.9
569.41638	3.7
599.71985	1.9
609.45038	13.1
627.46045	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	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	9.2
65.03924	4.9
67.05495	100.0
69.03407	11.7
69.07050	27.2
79.05473	91.2
81.03388	4.4
81.07040	89.0
83.04955	12.9
83.08589	10.4
85.02893	4.4
85.06508	4.6
91.05460	90.9
93.07022	97.5
95.04928	15.4
95.08577	65.6
97.02885	9.2
97.06491	4.2
103.05405	2.7
105.07016	83.1
107.04889	2.7
107.08582	48.7
109.06518	3.4
109.10137	23.3
111.08086	3.2
115.05399	3.2
117.06992	29.2
117.77865	2.0
119.08562	47.1
121.10127	29.6
123.11685	3.2
129.06979	13.6
131.08546	40.8
133.10110	39.6
135.11647	13.4
137.09583	2.3
141.06938	2.8
143.08522	12.6
145.10094	28.3
146.32706	2.2
147.11655	22.9
149.09520	4.0
149.13229	4.8
153.01808	2.3
155.08456	3.4
157.10159	5.2
159.11691	18.1
159.12781	2.0
161.09671	2.6
161.13219	11.5
163.59993	2.0
171.11652	8.0
173.13206	8.1
175.14821	4.3
177.12718	2.3
183.11621	2.5
185.13232	8.3
187.14832	3.4
195.11746	2.4
199.14792	2.4
219.17410	2.2
241.19469	4.8
243.21057	3.6
257.18942	2.9
259.20584	17.6
261.22015	3.2
275.19962	8.3
328.05145	2.7
333.24246	15.3
335.25693	51.5
349.23746	3.1
387.24796	2.4
399.19061	2.2
464.37042	2.3
482.28394	2.4
529.38428	13.7
537.90363	2.4
569.41791	8.4
611.46558	21.3
637.38544	2.1
742.42157	2.4
748.23242	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77911	1.1
59.04979	1.2
61.02911	1.6
64.33927	0.8
65.03925	4.5
67.05492	84.7
67.65287	1.0
69.03408	2.2
69.07053	36.9
71.04959	6.2
79.05476	76.1
81.03391	5.9
81.07037	85.5
83.04974	11.3
83.05406	1.3
83.08607	30.5
85.02881	4.4
85.06516	3.8
91.04887	1.2
91.05463	48.8
93.07024	83.1
95.04947	73.3
95.08585	67.6
97.02859	1.6
97.06503	8.9
97.10156	11.3
99.04419	6.3
101.96236	1.1
105.04490	2.0
105.07005	44.5
107.04944	11.3
107.07864	2.1
107.08577	53.6
109.06506	10.2
109.10136	23.2
111.04430	10.7
111.08066	7.1
115.05381	1.1
117.06993	18.0
119.07713	1.7
119.08556	36.0
121.06480	7.1
121.10117	38.6
123.08039	5.5
123.11678	6.6
125.09592	8.3
129.06975	4.4
130.07664	1.3
131.08536	22.2
133.06427	1.5
133.10120	24.6
135.08049	6.4
135.11659	14.0
137.09610	2.3
139.11163	1.6
141.06987	1.2
141.09111	1.1
143.08548	4.8
145.06441	1.3
145.10114	29.6
146.38217	1.3
147.08064	4.5
147.11621	12.4
149.09593	29.3
149.13223	5.8
151.11163	1.7
153.12717	1.3
157.10057	2.2
159.11658	13.3
161.09569	1.8
161.13240	5.5
163.11150	25.1
165.12683	4.6
169.10110	2.1
173.09668	2.1
173.13248	7.6
175.11168	2.4
175.14697	1.3
177.12729	4.4
183.11699	1.8
187.11151	3.9
187.14714	1.6
189.11186	4.6
189.12729	1.3
197.13293	1.7
205.12230	1.8
223.13257	19.0
239.17795	1.7
257.18924	6.1
261.22073	3.7
275.20020	37.1
293.21124	16.3
335.25729	94.3
349.23651	12.6
367.24741	27.5
609.45251	20.0
627.46088	100.0
628.46185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	81.6
71.41697	86.3
86.46506	96.5
106.03813	100.0
111.63830	97.2
132.80795	89.1
136.33853	96.9
336.45035	97.7
372.64417	98.9
541.32397	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.2
57.07067	2.0
65.03938	2.0
67.05495	84.3
69.03407	12.7
69.07058	45.6
71.04969	3.3
71.30050	1.7
79.05477	55.6
81.03402	4.7
81.06604	3.7
81.07043	74.0
83.04973	3.9
83.08589	15.6
83.47897	1.7
85.02875	2.1
85.04877	1.8
86.09687	2.3
91.05465	41.4
92.08780	4.0
93.07027	62.9
95.01313	2.0
95.04947	17.7
95.08584	51.0
97.02866	13.6
97.06498	8.4
97.10167	13.9
99.08057	1.9
105.07017	38.6
107.04952	8.2
107.08590	41.5
109.06490	7.4
109.10167	21.6
115.94352	2.0
117.06985	13.1
119.08558	21.2
119.34194	2.4
121.06413	2.6
121.10129	18.8
123.08044	7.5
123.11703	4.8
125.09620	12.1
129.06987	3.4
131.08559	15.9
133.06467	2.8
133.10088	15.3
135.08044	8.0
135.11681	11.2
137.09555	4.4
143.08551	4.9
145.10123	10.6
147.08067	10.8
147.11639	10.5
149.09595	2.8
149.13237	2.7
156.13034	2.0
159.11671	10.6
161.09598	2.6
163.11194	3.3
173.13240	3.0
175.11247	3.8
184.07285	7.8
185.13280	2.1
189.11095	2.6
223.13274	22.4
249.14755	4.2
273.18484	12.0
291.19489	100.0
310.41077	1.9
335.25757	61.3
365.23157	38.9
625.44556	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.9
66.19580	0.6
67.05501	1.5
69.03411	1.5
71.04990	0.8
75.04456	3.0
78.04691	2.7
78.56597	0.6
79.05077	0.7
79.05461	6.5
81.03412	3.1
81.07025	2.8
82.04213	0.9
82.96247	0.6
85.02888	10.1
88.54713	0.6
89.03903	2.7
91.05460	14.8
93.03387	9.1
93.07018	6.0
95.04944	8.0
95.08565	1.1
97.02889	1.2
97.06528	4.8
103.05447	25.0
105.03391	0.8
105.04483	1.2
105.07026	10.3
106.04160	25.7
107.04935	12.1
107.08550	1.2
109.06484	1.1
110.03654	3.0
111.04425	1.6
115.05408	6.5
117.03386	1.0
117.07004	4.8
118.04129	5.5
119.04919	3.4
121.06486	28.3
122.03659	0.7
123.04359	6.2
124.05183	3.6
125.05976	10.0
127.03922	0.9
129.07025	0.8
130.04114	1.3
131.04906	25.8
131.08543	0.9
132.05679	1.5
133.02779	0.6
133.06482	12.1
134.03618	4.1
135.04430	1.5
135.08052	3.0
137.05959	9.2
139.07529	3.7
141.06895	0.7
142.02641	2.8
143.04903	1.5
144.05710	3.0
145.02824	1.1
145.06470	7.2
146.03683	0.7
146.84581	0.7
147.04390	1.3
147.08018	3.2
148.05168	15.0
149.05962	46.7
151.03906	4.1
151.07503	5.2
152.04636	0.9
153.05460	5.0
153.09071	10.1
157.06516	1.4
159.08051	3.1
160.05179	2.5
161.05951	12.1
163.03886	3.5
163.07513	27.3
165.05466	1.3
166.06189	0.8
167.07001	69.4
171.06444	6.4
172.05202	0.8
173.05930	8.1
174.06750	1.1
175.07533	5.9
176.04674	3.7
177.05438	23.5
177.09082	2.7
179.07018	1.2
181.04932	78.5
181.08531	19.5
187.07489	4.2
189.09032	1.3
191.07004	80.3
192.07515	1.1
193.08545	5.7
195.06508	4.4
201.05307	2.3
203.06976	3.1
205.06682	1.0
205.08617	4.0
207.06442	1.2
207.10060	1.5
209.08057	100.0
210.08479	1.3
217.08595	3.6
219.10103	2.5
221.08041	1.4
233.08017	5.0
235.07565	1.3
235.09605	5.8
252.07741	1.0
263.09119	16.4
264.07632	1.1
265.08459	0.8
267.10059	3.6
295.09561	0.8
297.11099	1.2
325.10611	2.7
352.09451	0.8
357.13016	6.0
367.11435	1.0
385.12799	7.1
387.14740	0.7
399.14352	3.4
417.15326	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	820.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	1.1
59.04963	0.6
60.80552	0.5
63.76367	0.4
67.05495	8.2
69.03406	3.3
69.06723	0.6
69.07056	10.0
71.04965	2.7
71.08635	0.5
71.53734	0.4
79.05463	2.4
81.03372	0.6
81.07040	10.9
83.04970	9.6
83.08607	4.4
85.02896	5.4
85.06519	2.2
91.05447	2.5
92.08705	1.0
93.07019	6.1
95.04922	1.9
95.08585	19.0
97.02855	1.1
97.06490	2.9
97.10101	0.6
99.08057	2.9
105.07006	5.5
107.04935	1.2
107.08572	13.8
109.06506	8.4
109.10144	65.2
111.08085	1.3
113.09608	0.9
117.07008	0.6
119.04916	2.2
119.08555	18.9
121.06498	1.1
121.10114	8.0
123.04421	0.6
123.08046	9.9
123.11715	5.2
124.12176	0.5
125.05964	2.6
125.09616	0.9
127.03898	0.8
131.08485	1.0
133.10097	16.4
135.11673	64.4
136.11998	0.5
137.05949	1.0
137.09592	13.5
139.11147	1.1
143.07007	1.0
145.10078	2.3
147.04404	7.4
147.11641	0.8
147.48759	0.5
149.13217	5.1
151.07594	0.8
151.11172	7.6
151.14790	9.8
153.12708	2.7
159.11601	0.8
159.29375	0.5
161.05882	0.5
163.07539	0.5
163.11157	9.3
163.33711	0.5
165.12692	0.8
165.16396	1.2
173.09581	2.1
175.14787	27.9
177.09074	3.2
182.68002	0.5
187.11206	0.7
191.10599	2.4
193.15845	31.3
205.12155	1.1
209.36047	0.5
211.16905	100.0
212.17284	0.9
215.10872	0.8
233.11678	2.1
233.15375	0.6
251.12753	1.9
269.13785	2.5
303.04892	0.8
304.05298	0.6
339.19681	0.6
373.22183	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	813.512
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19753	1.8
61.02914	2.3
66.07233	1.8
66.69592	1.8
67.05494	3.7
73.02900	4.7
79.05479	5.0
81.07047	9.4
84.48470	1.9
85.02902	5.1
91.05467	3.1
93.07031	10.4
95.08600	2.2
97.02869	3.6
104.51726	2.3
105.06995	3.4
116.56548	2.2
121.10117	2.1
125.00006	2.3
133.10059	2.7
164.41779	2.3
190.99956	2.1
275.07971	2.1
294.13434	2.3
310.79135	2.4
375.05377	2.5
419.87939	2.5
519.28888	9.5
813.51215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	23.9
57.07037	4.0
61.00774	3.1
63.97134	4.2
67.05489	79.2
69.07050	19.9
79.05475	57.2
81.07038	100.0
83.08584	6.7
86.63332	5.3
91.05458	52.0
92.09315	5.5
93.07015	84.2
95.04948	8.1
95.08589	67.3
97.06503	4.7
99.08053	4.9
101.88442	4.4
105.07033	40.1
107.08578	45.5
109.06495	6.0
109.10162	25.8
117.07028	8.5
119.08543	49.2
121.10117	35.4
123.11668	7.9
126.65543	4.3
126.66460	6.1
131.08556	25.4
133.10089	38.2
135.11685	23.2
145.10136	27.0
147.11668	10.9
154.84367	4.8
155.18590	4.1
157.10114	6.0
159.11642	18.8
161.13301	5.0
173.13254	5.3
184.40849	4.2
186.34982	4.4
244.30803	4.1
259.20456	5.8
261.22098	5.7
311.74292	4.8
333.23993	8.0
335.25681	60.9
351.25201	18.0
438.89359	5.0
446.49789	4.6
611.46747	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	808.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	13.9
57.07076	3.7
67.05498	69.0
69.03416	3.2
69.07065	24.4
71.04990	3.9
73.02882	2.2
75.01071	1.8
76.93497	1.9
78.01290	1.8
79.05482	82.9
81.07047	76.5
83.04995	2.9
83.08612	9.4
85.06533	3.0
91.05465	74.4
92.09338	4.3
93.06504	3.5
93.07030	100.0
95.04983	9.6
95.08595	54.8
97.06546	4.4
97.10168	3.5
99.01005	2.0
103.05489	3.7
105.07021	92.4
107.08585	45.9
109.06533	4.1
109.10175	24.1
111.08115	2.8
115.05425	3.3
117.07001	21.2
119.08570	63.6
119.09389	3.1
121.10133	41.4
123.08061	4.5
123.11700	10.1
126.04247	2.2
129.07018	13.1
131.08551	32.7
133.10106	48.7
133.81404	2.2
135.08076	2.2
135.11684	26.2
139.11435	2.3
143.08572	13.7
145.10117	33.3
147.11682	34.7
149.09645	2.8
149.13280	12.3
152.86356	2.4
157.10118	9.2
159.11726	27.7
161.13263	20.0
163.11162	2.4
171.11688	3.7
173.13287	11.6
175.14793	9.5
185.13351	9.3
199.14780	8.0
203.18077	2.6
231.20985	3.0
241.19531	9.6
259.20535	34.0
261.22037	4.4
333.24246	24.3
335.25739	36.1
376.14691	2.3
436.76031	2.6
463.06042	2.3
593.45642	12.1
611.46570	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	806.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	9.4
57.07073	10.4
59.37746	10.0
65.23885	10.1
67.05482	64.2
68.97588	9.8
69.07038	9.0
69.46785	8.7
78.16476	12.4
79.05457	48.9
81.07025	63.7
91.05450	18.9
93.07016	62.5
95.08585	54.2
107.08550	22.3
109.10126	13.4
120.21233	9.9
121.10159	23.5
131.08505	10.5
135.11626	11.8
195.99940	10.5
247.48036	10.8
259.49582	10.3
261.22009	18.6
293.33850	10.5
335.25742	100.0
335.29321	11.4
457.68253	12.8
563.45300	14.3
595.46204	18.5
613.48505	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	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	16.0
57.07066	4.6
67.05495	100.0
68.52145	3.5
69.07042	37.8
71.04983	7.7
75.70052	3.3
76.02398	3.7
79.05464	70.0
81.07034	88.3
83.04933	3.6
83.08593	15.1
89.10823	3.7
91.05452	84.2
93.07020	90.6
95.04937	16.7
95.08586	71.1
105.04491	3.8
105.07012	85.9
107.08578	58.7
109.06504	7.8
109.10117	26.7
117.06982	26.6
119.08546	66.3
121.10107	33.1
123.11689	5.9
131.08556	32.9
133.10101	60.2
135.08057	7.0
135.11670	26.7
143.08539	7.1
145.10100	32.1
147.11649	23.6
149.13275	15.5
157.10091	4.2
159.11682	29.9
161.09567	3.9
161.13193	15.7
163.10977	3.9
166.57025	3.9
171.11656	5.4
173.13240	8.2
174.61365	3.8
175.14691	7.0
192.11996	3.7
202.78546	4.2
241.19507	7.1
245.13536	3.9
259.20563	24.1
273.31799	4.2
333.24161	25.4
335.25638	37.3
546.03485	4.2
611.46399	37.1
617.91583	4.4
647.08929	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	806.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	12.2
61.19001	1.7
65.46161	1.4
67.05492	48.9
69.07053	26.4
79.05468	41.4
81.03387	2.5
81.07034	68.9
83.04991	2.2
83.08610	6.6
83.79588	1.5
84.03243	1.8
85.06526	2.8
86.09681	2.0
91.05466	41.9
93.07026	54.1
95.01322	2.3
95.04951	11.9
95.08584	49.3
97.06516	9.1
97.10134	1.8
105.07016	51.2
107.04946	8.1
107.08579	26.8
109.06484	7.5
109.10144	13.0
111.08042	2.1
117.06997	11.2
119.08544	34.0
121.06516	2.4
121.10134	20.0
121.55169	1.8
123.08002	3.6
131.08533	25.2
133.10112	24.6
135.08073	3.0
135.11671	11.4
137.09607	2.5
137.13167	2.1
143.08498	2.9
145.10098	16.5
147.11690	12.8
149.09642	7.6
149.13232	7.8
157.10158	2.3
159.11673	9.8
161.09467	2.2
161.13289	2.3
173.13179	3.3
177.12640	2.3
179.14340	3.4
184.07346	8.8
201.16345	2.5
203.17909	2.5
219.17429	19.3
235.16876	2.6
275.19952	21.9
335.25766	49.6
349.23407	14.2
360.79660	1.8
609.45020	100.0
610.45209	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	806.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	1.9
57.03431	33.2
57.07061	2.6
59.04989	2.6
61.02902	5.7
63.89335	1.3
65.03925	5.3
67.05495	81.6
69.03415	16.6
69.07057	32.7
71.04984	7.2
73.02898	7.1
79.05479	85.1
80.06273	1.4
81.03403	63.7
81.07043	100.0
82.04184	1.9
83.04967	37.2
83.08605	34.6
85.02889	24.6
85.06534	5.4
87.04470	1.6
88.53533	1.3
91.05460	65.2
93.07031	60.1
95.04955	48.4
95.08589	32.6
97.02861	11.9
97.06519	15.8
97.10149	36.9
98.07304	1.9
99.04427	2.9
99.08052	1.6
101.05996	1.7
105.07024	53.5
105.07726	1.7
107.04951	20.8
107.08584	34.8
108.05737	1.7
109.02837	1.5
109.06503	21.4
109.10145	25.4
111.04436	15.6
111.08064	18.4
115.05460	5.2
116.04707	11.9
116.06188	2.0
117.06998	20.1
119.04919	2.7
119.08568	46.3
121.06504	13.3
121.10137	21.7
122.07288	2.1
123.04417	6.4
123.08058	18.5
125.09621	35.0
128.06226	2.4
129.05484	30.2
129.06970	19.0
130.07726	2.3
131.08533	22.0
133.06435	7.5
133.10126	21.4
135.08078	13.7
135.11653	12.7
137.05969	1.7
137.09613	12.3
141.06920	1.9
142.07755	3.0
143.07062	6.1
143.08539	6.9
145.06439	2.8
145.10136	18.3
147.08058	12.7
147.11664	16.7
149.09604	12.3
151.07486	2.2
153.09079	6.2
153.12726	6.0
155.08528	1.7
155.10690	1.6
157.08595	11.7
157.10115	19.4
159.11723	5.4
161.09599	9.8
163.11157	17.8
165.09053	6.1
165.12682	2.4
165.45850	1.6
169.10091	1.5
171.10101	6.6
171.11606	2.8
173.09592	3.0
173.11707	1.9
173.13187	1.7
175.11119	16.9
181.12201	5.3
183.11647	1.7
185.13289	1.7
187.11177	1.5
189.11177	12.7
191.10582	3.0
191.14502	1.5
193.12227	34.4
199.13283	2.6
211.13269	27.9
223.13179	2.5
227.12740	16.3
229.14305	7.0
232.87567	1.6
239.12854	1.6
245.19009	4.6
249.14978	2.1
267.15863	14.8
273.18439	24.3
283.15295	2.9
285.16888	20.7
289.17767	2.2
290.18741	1.7
291.19510	35.9
301.16434	24.6
309.20532	5.5
313.16327	1.4
347.22046	2.7
365.23212	20.2
381.22638	1.6
383.24286	7.0
399.23669	8.6
410.61960	1.3
421.25821	1.7
431.27554	1.6
439.26929	18.5
441.37750	1.6
461.29053	1.6
479.29688	6.8
483.31274	1.7
498.41959	1.5
519.33282	2.9
523.28796	2.4
557.34473	8.8
573.33923	5.8
575.35620	10.6
591.35107	23.0
609.36218	25.2
718.89923	1.7
798.32050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06411	0.2
57.03426	1.1
57.07063	1.1
61.02921	2.2
66.52895	0.2
67.05488	2.9
69.03413	3.9
69.07056	2.6
71.04977	0.3
73.02904	0.4
79.05473	2.3
80.94539	0.2
81.03399	1.3
81.07040	13.2
83.08620	1.5
85.02892	32.9
87.04460	0.3
91.03917	1.4
91.05454	1.1
93.06420	0.5
93.07019	12.7
95.08580	8.4
97.02869	6.1
97.10127	1.9
97.71588	0.2
99.04443	1.3
103.03920	0.3
105.07034	0.5
107.08579	13.0
109.02868	2.8
109.10142	14.0
112.26905	0.2
121.10120	5.3
123.11683	100.0
124.12039	0.3
127.03896	7.8
135.11667	44.9
136.11926	0.4
145.04939	12.6
146.07208	0.2
149.13237	63.4
150.13551	0.5
163.05984	7.7
163.14786	1.4
205.19482	90.6
206.19769	0.4
236.15121	0.2
252.38683	0.3
325.11227	8.5
343.12372	0.3
619.60474	0.3
654.34949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51685	0.4
57.03425	3.2
58.73679	0.4
61.02919	8.3
67.05486	7.9
69.03423	4.5
69.07072	1.8
73.02900	5.6
79.05463	6.1
81.03411	2.1
81.07036	7.5
83.08622	0.8
85.02885	7.0
91.03934	3.7
91.05494	2.7
93.07024	6.0
95.04950	0.8
95.08582	6.4
97.02864	6.7
99.04454	0.6
101.02370	2.2
105.07049	2.6
105.21880	0.5
107.08600	2.7
109.10159	2.3
117.07014	0.6
119.08580	0.6
121.10154	2.5
126.77836	0.5
127.03923	1.0
131.08586	1.1
133.10085	0.7
135.11699	2.0
243.08405	2.5
280.72760	0.5
335.25708	0.7
476.86514	0.5
519.29199	10.6
519.35748	0.7
611.46515	0.6
797.51581	100.0
798.52051	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	796.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70282	0.3
57.03417	1.7
59.04977	0.4
60.74416	0.3
64.33627	0.3
67.05494	1.3
69.03383	0.4
69.07040	2.0
71.04959	2.1
72.65443	0.3
73.02886	2.4
75.04462	0.3
79.05469	3.2
81.07035	5.1
83.04946	0.8
83.08595	1.3
85.02880	0.7
85.99218	0.3
89.64063	0.3
91.05454	5.8
91.26037	0.3
91.50086	0.3
93.07028	7.5
95.04964	2.9
95.08580	2.5
97.06496	3.0
99.80168	0.3
103.05450	6.3
105.07001	4.1
107.04908	0.4
107.08593	3.6
108.44296	0.3
109.06499	2.2
109.10103	0.6
111.08073	2.3
115.05431	0.5
117.06989	3.5
119.04918	2.0
119.08566	2.9
121.06448	1.4
121.10108	2.0
122.03631	0.6
123.08033	1.9
128.06183	0.4
129.07002	1.8
131.04900	17.3
131.08527	1.9
133.06415	0.4
133.10127	2.3
134.07227	0.3
135.08014	2.9
137.05956	22.5
137.09532	0.3
142.07764	0.6
143.08522	2.0
145.06497	0.8
147.07962	0.4
147.11694	1.9
149.05969	1.5
149.09584	2.3
151.03874	0.4
151.07509	15.2
153.09045	0.5
157.06459	1.5
157.10007	0.8
161.05908	2.7
161.09610	0.7
162.06721	1.7
163.07509	31.4
165.09120	0.4
167.07034	0.5
167.08429	0.8
167.10651	0.5
171.07893	0.7
174.06766	0.4
175.07530	3.0
175.11070	0.4
177.09070	100.0
178.09387	2.1
179.10675	0.6
181.04889	0.7
189.09151	3.9
195.08052	2.3
195.10176	2.8
195.84267	0.3
199.14944	0.4
201.11169	0.5
203.10594	0.6
209.09642	0.5
212.08232	0.4
217.15836	0.8
221.05965	0.6
221.09666	1.3
221.11679	15.5
223.07582	0.5
225.09091	0.6
227.10654	3.0
235.16887	3.2
249.08908	0.5
253.08505	1.6
253.12050	1.3
253.17973	0.6
255.10089	3.0
267.10147	0.7
269.08047	0.4
269.17554	0.4
281.11563	0.5
285.11230	0.8
287.12653	5.0
299.12653	0.5
311.12714	1.6
313.10895	0.4
313.14163	2.6
331.15347	12.8
332.15518	0.4
343.15405	1.9
345.16992	1.6
355.15857	0.3
419.21921	0.4
780.44312	0.4
796.62170	0.4
804.45923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	29.9
57.03421	9.3
62.19949	5.8
66.67746	6.8
67.05492	94.7
69.07058	29.9
71.04946	6.9
76.56116	7.2
79.05479	79.3
81.07034	100.0
85.06522	7.7
91.05454	14.1
93.07014	96.2
95.04977	9.3
95.08588	79.0
105.06993	55.1
106.78788	7.5
107.08559	64.6
109.06500	17.3
109.10136	58.2
117.06990	16.1
119.08549	42.9
121.10122	78.1
123.11693	16.3
126.31579	8.5
128.66162	7.0
131.08546	27.6
133.10126	34.9
135.11684	30.2
145.10101	40.4
147.11671	12.5
149.13239	28.8
159.11667	29.8
161.13248	9.4
173.13190	13.0
234.26364	7.3
243.21191	9.1
261.22061	55.7
335.25558	10.8
353.26544	9.2
549.64978	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05234	1.1
55.05503	31.6
57.03431	20.3
57.07058	2.3
61.02907	5.5
62.48327	0.8
65.03925	4.4
67.05492	100.0
67.08358	1.2
69.03431	1.4
69.07054	25.9
71.04961	1.6
73.02910	1.1
79.05475	71.8
80.85349	1.0
81.07040	92.4
83.08613	9.2
85.02882	4.1
85.06532	2.2
91.05463	38.5
92.08647	2.3
93.07025	74.0
95.04948	6.9
95.08586	63.5
95.65662	1.0
97.02881	2.4
97.06501	4.6
97.10144	3.8
105.07016	30.7
107.04919	1.0
107.08575	40.9
109.06478	3.8
109.10135	24.6
112.86079	1.1
116.77122	1.3
117.06987	9.4
119.08569	20.2
121.10115	28.6
123.08064	1.2
123.11704	9.1
129.07008	1.8
131.08548	17.3
133.10117	13.5
135.11679	16.4
137.09593	1.1
137.13196	2.0
143.08585	1.4
145.10101	15.7
147.11662	9.9
149.09703	0.9
149.13211	9.7
150.74527	1.1
157.10185	1.6
159.11664	8.8
161.13225	10.5
163.14816	1.8
171.11591	1.4
173.13268	7.0
174.13948	1.0
175.14795	1.8
183.17213	1.0
184.65451	1.1
185.13312	2.0
187.14856	4.3
201.16245	1.5
241.19662	3.0
241.50278	1.0
243.20976	6.0
259.20551	5.1
261.22058	17.9
281.06714	0.9
315.67416	0.9
317.24640	1.9
333.24146	6.0
335.25742	81.4
336.26346	1.1
337.27347	8.7
521.43286	4.1
595.47217	16.4
613.48285	13.5
614.47864	1.3
617.83679	1.3
638.95892	1.0
682.54065	1.3
757.84216	1.3
797.89441	1.1
820.97449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	35.7
55.05504	79.2
55.98822	1.7
57.03429	30.7
57.07069	2.1
57.25702	1.3
61.02916	3.9
65.03930	3.0
67.05492	58.9
69.03410	15.9
69.07054	31.5
71.04978	8.0
73.02899	10.8
79.05476	70.7
80.06250	1.7
80.35130	1.5
81.03380	22.2
81.06594	3.5
81.07037	68.2
82.04187	7.0
83.04964	30.3
83.08600	46.9
85.02894	13.5
85.06535	3.0
87.04437	1.8
91.05457	68.4
93.07024	66.0
95.04948	100.0
95.08586	36.9
97.02869	8.3
97.06530	14.1
97.10139	29.0
98.07290	9.5
99.04433	8.1
105.04488	1.9
105.07009	51.8
107.04926	23.5
107.08582	48.2
109.06506	16.3
109.10149	20.8
111.04434	11.7
111.08036	12.9
116.04712	17.8
117.06983	22.4
119.08556	46.5
119.62859	1.8
121.06465	13.5
121.10125	25.0
123.08016	19.2
123.11681	7.6
125.05936	2.5
125.09611	26.2
129.05457	53.4
129.06902	12.9
131.08539	30.2
132.44759	1.9
133.06487	6.5
133.10098	28.6
135.08038	8.7
135.11684	15.4
137.05978	2.5
137.09612	3.9
139.11189	2.6
142.07692	2.2
143.07056	8.5
143.08519	6.4
145.06500	2.1
145.10077	31.4
147.08017	3.8
147.11668	21.4
148.90552	1.7
149.09616	39.0
149.13281	3.1
151.11192	7.7
153.09097	2.1
153.12697	3.8
155.08470	2.8
157.08582	23.0
157.10103	10.0
159.11702	13.1
161.09555	2.6
161.13171	2.7
162.89423	1.7
163.11130	47.4
165.12755	4.3
169.10091	3.3
171.10110	9.1
171.11641	4.0
173.09576	3.8
173.13205	3.6
175.11156	9.4
181.12141	2.4
183.11642	2.2
187.11124	2.0
189.11183	21.1
189.12706	3.1
191.10628	2.5
193.12189	7.4
199.13263	8.0
200.13971	2.9
205.12268	8.9
209.11786	2.2
211.13264	8.0
223.13234	35.5
227.12767	14.1
239.18010	2.5
255.15601	2.2
257.18912	9.2
267.15909	8.1
275.20004	60.5
283.15427	8.5
291.19440	8.2
293.21103	29.2
301.16403	88.2
349.23663	21.1
367.24713	36.1
482.75681	2.1
521.34473	2.8
541.35242	3.1
557.34119	2.4
558.35138	2.6
559.36145	6.8
575.35718	25.0
576.36426	3.0
593.36768	79.4
594.36841	1.9
815.29181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	23.1
55.05509	45.7
57.03430	34.3
57.07071	3.0
59.04986	2.1
61.02915	8.6
63.33732	1.1
65.03921	1.9
67.05495	100.0
69.03407	12.4
69.07058	47.0
71.01311	1.1
71.04971	8.7
73.02889	4.8
79.05476	81.3
81.03404	56.0
81.07043	87.9
82.06622	1.1
82.37119	1.4
83.01346	1.1
83.04967	27.9
83.08607	28.7
85.02889	24.3
85.06532	6.3
91.03938	1.6
91.05465	86.5
93.07028	71.7
94.07358	1.6
95.04948	39.8
95.08583	50.5
97.02875	8.8
97.06517	19.1
97.10141	10.3
98.07317	2.2
99.08058	2.1
103.05425	1.5
105.07019	67.2
107.04930	16.7
107.08578	37.9
109.06490	13.0
109.10156	23.6
111.04382	2.6
111.08064	15.0
113.05954	4.7
115.05460	3.1
116.04693	7.4
117.07006	16.0
118.07915	1.3
119.04999	2.1
119.08559	48.7
121.06502	7.9
121.10114	18.2
123.08064	10.0
123.11686	2.8
125.09616	12.6
127.07450	1.3
128.06200	1.7
129.05466	18.5
129.06989	17.5
131.08545	36.5
133.06494	6.6
133.10110	28.2
135.08078	5.0
135.11678	11.3
137.05888	1.3
137.09624	11.8
141.06975	1.8
142.07771	6.4
143.07053	2.3
143.08548	5.7
145.06503	1.3
145.10097	17.1
147.08051	6.0
147.11653	20.5
149.09599	22.4
149.13248	2.5
151.11168	2.4
155.08482	2.2
157.08646	6.7
157.10120	16.2
159.11682	8.1
161.09668	1.6
161.13251	2.0
163.11168	11.8
165.12694	2.2
169.10085	2.3
171.10236	1.3
171.11607	2.5
173.11752	2.4
173.13115	3.9
175.11171	10.1
177.12758	2.2
183.11673	1.7
187.11218	1.7
191.10640	1.3
193.08582	1.9
193.12196	27.1
205.28473	1.5
209.11542	1.7
211.13263	24.5
213.89813	1.3
227.12767	8.6
227.36400	1.6
229.14345	3.1
229.19562	2.4
255.15846	5.2
257.19217	2.7
267.15817	15.2
269.17389	7.9
273.18555	1.5
275.19983	19.7
280.36017	1.7
283.15164	1.7
285.16888	23.9
291.19467	2.8
301.16385	16.1
335.97458	1.7
349.23630	31.0
365.23431	2.1
409.83948	1.4
421.26291	2.9
439.26956	10.4
481.27664	2.6
495.29428	14.7
541.35077	6.3
559.36139	21.2
575.35748	11.1
593.35876	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	14.2
55.05508	50.3
55.47737	1.1
57.03427	24.9
59.04979	1.8
61.02919	1.8
65.03922	2.1
67.05495	51.7
69.03418	9.0
69.07056	26.4
71.04984	7.6
73.02917	1.9
75.50372	1.2
79.05002	1.7
79.05077	1.3
79.05476	61.5
81.03401	72.9
81.07040	100.0
82.02193	1.2
83.04964	35.5
83.08602	30.9
85.02890	34.4
85.06542	2.6
91.04889	1.8
91.05462	57.4
93.07021	47.1
95.04948	44.6
95.08579	24.8
95.09113	1.4
97.02872	7.5
97.06513	13.7
97.10143	25.9
105.07019	41.6
107.04944	17.7
107.08585	29.6
109.06516	17.7
109.10137	13.5
109.54789	1.2
111.04418	14.8
111.08073	12.1
113.05987	1.6
115.05492	1.6
117.06998	18.1
119.08572	46.5
121.06497	10.9
121.10118	17.6
123.08044	28.9
123.11684	1.9
125.09617	22.1
128.06184	1.5
129.06978	19.1
131.08546	26.3
133.06479	7.1
133.10106	21.4
135.08043	6.8
135.11670	9.8
137.09613	6.4
142.07765	5.8
143.08562	7.6
145.06462	4.3
145.10121	14.4
147.08025	14.9
147.11685	21.0
149.09593	10.4
149.13292	1.8
151.11230	2.1
153.09085	6.0
153.12756	6.9
155.08569	3.0
157.10114	21.2
159.11703	2.9
161.09590	7.4
161.13158	1.5
163.11134	16.4
165.09070	2.8
165.12650	1.9
171.10172	1.7
171.11670	5.2
173.09628	2.2
175.11169	15.9
177.12756	1.8
181.12244	7.4
181.93202	1.4
185.09718	1.7
189.11188	11.6
189.12701	3.2
191.10686	2.9
193.12213	34.5
211.13258	32.5
223.13274	2.5
227.12733	14.4
245.18994	3.0
255.17368	2.2
267.15829	17.4
273.18433	25.3
285.16922	49.9
291.19513	44.2
309.20575	4.6
347.22061	10.3
365.23151	32.4
383.24265	12.2
455.26596	1.5
483.30640	1.5
539.33716	5.0
557.34668	36.7
575.35718	49.2
593.36798	22.2
650.86145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
57.03423	3.8
58.05929	0.2
61.02910	4.1
64.33317	0.2
69.03413	15.3
71.01328	0.3
71.04980	1.9
73.02901	2.8
73.95547	0.2
81.03398	3.8
85.02888	80.4
87.04455	1.2
88.52810	0.2
91.03937	3.2
97.02872	34.4
98.98444	100.0
99.04438	4.9
101.02354	1.9
103.03907	1.0
109.02860	8.5
114.41095	0.3
115.03906	2.0
116.99483	4.7
127.03892	41.8
128.04298	0.3
145.04938	33.5
163.04655	0.5
163.05978	12.9
195.00470	1.4
225.01537	5.0
243.02657	0.5
259.08020	0.9
261.03650	34.2
279.04700	15.9
289.09088	1.3
325.11240	6.4
328.21567	0.3
343.12238	1.2
652.87341	0.3
747.10474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
55.05320	1.8
55.05510	30.0
57.03420	25.8
57.07066	53.8
63.16339	2.2
67.05495	51.3
69.03403	4.6
69.07046	21.7
71.04963	10.8
71.08612	39.9
73.02898	3.3
79.05472	41.3
81.02931	3.9
81.03394	84.6
81.07034	57.9
83.04967	29.7
83.08611	36.3
85.02881	33.7
85.06573	2.2
85.10162	16.1
91.05465	45.8
93.07023	31.1
95.04940	35.5
95.08579	36.4
97.06453	4.4
97.10129	5.5
99.04413	3.2
105.06996	41.2
107.04951	5.4
107.08531	19.2
109.02854	10.6
109.06505	11.2
109.10120	17.7
111.04380	4.8
111.08067	16.4
119.08562	30.9
121.06480	2.6
121.10123	15.3
123.08052	2.8
123.11685	4.3
129.06970	17.3
131.08527	17.8
133.06445	4.0
133.10091	21.5
135.11690	5.3
142.07761	4.7
143.08493	2.4
145.10094	12.9
147.08032	3.6
147.11671	22.5
149.09660	3.4
157.10085	25.0
159.07979	2.9
159.11671	3.1
175.11150	15.8
177.26645	2.7
178.89874	2.7
193.12199	55.1
211.13240	62.5
267.15793	22.3
285.16882	55.5
303.58151	2.9
313.27286	77.4
314.14706	2.4
314.27438	2.7
372.81537	3.0
396.17444	2.6
399.26175	2.9
505.38889	23.3
523.39844	100.0
539.28516	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	780.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83598	0.2
55.01878	0.3
61.17884	0.2
65.03928	0.9
69.03431	1.0
70.61021	0.2
75.04499	0.3
78.04708	1.0
79.05481	2.3
81.03416	0.9
81.07037	0.4
83.04983	0.3
85.02908	1.0
91.05469	4.5
93.03395	1.2
93.07025	1.0
94.04183	1.3
95.04948	2.0
97.02859	0.4
97.06516	0.4
103.05464	2.7
105.07005	1.9
106.04163	3.3
107.04947	5.9
109.06509	1.0
111.04420	0.3
115.05426	1.7
117.07015	1.8
119.04918	1.6
121.06491	4.2
122.03629	4.6
123.04391	2.8
124.05199	1.5
125.05981	1.5
128.06242	0.9
129.06960	3.2
131.04921	4.6
131.08525	1.8
132.05713	0.4
133.02766	0.2
133.06512	2.0
134.03630	0.5
135.04388	0.5
135.08075	0.5
136.05173	0.5
137.05966	100.0
138.06316	0.4
139.07597	0.4
141.06934	1.6
143.04944	0.5
143.08562	0.3
144.05679	1.7
145.06502	2.5
146.03604	0.3
147.08011	0.4
148.05136	0.3
149.05986	4.9
151.07533	5.6
152.04698	0.6
153.05467	1.7
153.06749	0.3
153.09109	1.0
155.06050	0.4
156.05617	0.3
157.06465	2.7
158.07234	0.6
159.04465	0.3
159.08029	3.3
160.05194	0.4
161.05972	4.2
161.09509	0.3
163.03871	2.1
163.07541	3.2
165.05481	0.4
165.09091	0.2
167.07016	52.8
168.07326	0.3
169.06400	0.5
171.08057	0.5
172.05235	0.4
173.05931	1.6
174.06685	2.2
175.07541	4.4
177.05444	3.5
177.06815	0.3
177.09068	1.0
179.07053	2.9
179.08514	0.4
181.08580	3.0
182.07199	0.3
186.06639	0.3
187.07523	6.0
189.09068	6.0
190.06215	0.3
191.07045	1.9
191.08629	0.4
191.10675	0.9
193.06781	0.4
193.08585	3.7
193.10179	0.4
195.06442	0.4
195.08046	0.5
199.07491	0.6
201.09113	2.8
203.08606	1.0
205.06703	0.4
205.08562	3.7
207.08113	0.4
209.08060	7.5
209.09930	0.3
211.07579	0.5
213.09070	0.5
216.07730	0.3
217.06598	0.3
217.08571	1.2
219.08006	0.9
219.10106	6.5
220.08818	0.4
221.09657	0.6
223.09518	0.3
225.09097	1.0
227.10742	0.3
231.08000	0.8
231.10135	1.3
235.11197	0.4
236.08363	0.3
237.09035	0.4
237.11235	0.5
239.10583	1.1
247.07353	0.4
248.08365	0.5
249.08928	0.3
249.11313	1.7
251.06911	0.2
251.10722	0.3
252.11369	0.4
253.12158	1.1
255.10196	0.4
257.07883	0.4
257.11682	0.4
263.10654	1.7
265.08585	0.3
268.34351	0.2
277.08505	0.4
279.10126	0.5
280.10892	0.3
281.11560	1.6
283.13010	0.2
291.10071	1.2
295.13251	1.1
309.11060	0.4
313.10635	0.3
313.14313	15.2
323.12811	1.1
341.13806	13.5
355.15298	1.4
373.16428	16.3
374.16864	0.3
381.16708	1.4
399.17926	3.3
437.92538	0.2
451.55951	0.3
535.22815	0.3
553.23395	0.9
565.23804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03432	1.7
59.04981	1.0
61.02913	5.6
64.96292	0.7
67.05505	5.9
69.03412	4.0
69.07056	3.0
71.04980	1.5
73.02903	5.4
77.74825	0.6
79.05474	6.0
81.03391	3.5
81.07045	7.6
83.04990	1.0
83.08621	0.9
85.02905	5.1
85.24249	0.6
85.49294	0.8
91.03943	3.5
91.05463	4.6
93.07032	8.2
93.47979	0.7
94.07345	1.2
95.04935	0.9
95.08594	4.8
95.09126	0.7
96.26922	0.7
97.02883	4.5
97.12560	0.7
101.02380	1.2
105.07027	4.6
107.08576	4.6
109.02923	0.8
109.06491	0.9
109.10167	3.6
111.08179	0.7
117.06981	1.3
119.08599	3.2
121.10130	3.2
131.08589	1.5
133.10132	1.2
135.11736	1.5
145.10097	1.2
147.11664	0.9
149.09631	1.0
157.10081	1.0
161.09413	0.8
172.00235	0.8
184.07339	4.0
243.08470	3.0
249.92865	0.7
267.16129	0.9
271.70502	0.7
283.15207	4.2
388.38840	0.9
416.35843	0.7
501.23035	8.2
519.29370	6.9
646.26599	0.8
779.45337	100.0
780.45673	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	26.5
57.03418	18.8
57.07067	2.8
60.08146	14.3
64.23911	2.4
65.03921	3.6
67.05493	73.9
69.07056	26.8
71.07330	2.5
72.47141	2.8
79.05476	59.4
81.07040	73.7
83.08609	7.2
85.02905	3.6
86.09700	46.3
91.05457	30.9
93.07022	73.9
93.25745	2.6
95.04951	5.2
95.08585	59.3
95.09126	4.1
97.06519	3.6
97.10099	3.3
98.98442	4.1
100.50661	3.2
104.10684	3.9
105.07017	27.8
107.08565	37.3
109.06566	3.0
109.10156	22.7
110.77168	3.3
117.06979	11.3
119.08553	17.6
121.10142	37.4
123.11681	4.3
124.99983	41.5
131.08553	12.7
133.10135	18.0
135.11670	20.9
137.09499	3.0
139.61415	2.9
145.10130	10.9
147.11694	5.9
149.13223	7.1
159.11670	6.1
161.13182	3.2
173.13242	4.8
174.42720	3.0
183.11366	3.0
184.07307	100.0
192.79939	2.9
219.17569	3.3
257.21564	2.9
261.22144	4.0
287.26376	3.4
321.24191	35.5
335.25656	32.1
581.45209	12.6
599.46362	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	778.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05008	0.4
57.07059	0.4
59.01836	0.4
60.07906	0.5
60.08154	8.5
62.93923	0.4
63.98867	0.4
71.07353	4.9
81.07020	1.9
84.70578	0.4
86.09690	46.4
93.07002	1.9
95.08559	2.0
98.95018	0.5
98.98438	3.8
104.10723	3.1
105.06996	1.1
107.08595	1.0
119.08545	1.7
119.87581	0.4
121.10132	3.6
123.11681	0.7
124.99982	33.0
135.11681	0.7
143.00972	0.7
145.10132	0.9
147.11684	0.7
149.13213	0.5
168.70959	0.5
184.07310	100.0
230.27251	0.5
430.03101	0.5
448.74323	0.5
627.84766	0.5
778.53809	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81752	1.1
55.01863	2.6
55.05262	2.0
55.05505	26.0
57.03428	24.4
57.07076	1.4
65.03922	1.6
67.05493	61.5
68.57502	1.1
68.99803	0.9
69.03419	1.5
69.07062	15.2
70.38612	1.0
71.04984	4.4
71.27711	0.9
76.56332	1.0
79.05476	50.9
81.03403	100.0
81.07038	67.7
83.04964	6.4
83.08610	18.1
85.06525	1.5
91.05466	42.8
93.07024	53.4
95.04946	32.4
95.08587	47.8
97.02869	1.8
97.06519	7.3
97.10152	5.8
105.06380	1.2
105.07010	32.6
105.07670	2.0
107.04943	10.3
107.08584	27.9
109.06512	6.0
109.10141	20.7
111.08073	6.5
115.05419	1.6
117.07006	13.7
119.08566	26.0
121.06493	5.6
121.10128	24.0
123.08036	4.3
123.11706	6.9
125.09606	2.0
129.06978	12.3
131.08556	21.3
133.06487	2.0
133.10126	13.5
135.11694	13.0
137.09575	1.9
137.13176	1.2
141.06989	1.1
142.07759	1.5
143.08562	5.4
145.10144	11.1
147.08041	4.8
147.11685	15.5
149.09619	6.7
149.13246	6.2
151.11176	1.1
155.08531	1.3
157.10121	12.1
159.11581	7.5
161.09608	1.3
161.13269	5.6
163.11214	2.4
163.14813	1.4
165.12749	1.9
171.11630	1.5
173.13252	5.3
175.11151	9.2
177.12544	1.4
183.03578	1.0
183.11687	1.2
185.13213	1.6
187.14772	2.5
193.12199	16.4
201.16376	1.5
227.12740	1.3
243.21010	2.1
259.13177	1.1
259.20746	1.2
261.22131	9.6
267.13004	1.9
267.15863	56.4
299.23434	1.1
301.25204	5.7
335.25748	51.0
336.26004	1.5
435.32733	1.9
453.33484	4.6
471.34952	1.6
509.36011	1.2
527.29681	1.8
527.37280	40.0
540.22705	1.1
545.38306	38.0
546.37964	1.2
569.37793	1.9
624.23602	1.2
724.02423	1.1
725.14038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.6
55.05505	48.5
57.03429	19.4
57.07057	1.8
59.04986	1.9
61.02908	4.2
61.96688	0.8
62.86971	0.8
65.03922	1.8
67.05491	100.0
69.03406	4.9
69.07059	18.7
71.04948	3.0
73.02884	1.2
73.06571	0.8
77.09052	0.8
79.05473	51.8
81.03387	5.0
81.07034	65.5
83.04964	6.1
83.08600	14.2
85.02877	13.1
85.06517	3.5
87.04448	5.4
91.05457	26.0
93.07023	47.3
94.07312	1.2
95.04943	8.9
95.08585	36.4
97.02857	4.0
97.06502	4.9
97.10146	17.2
103.05421	0.9
105.07014	20.2
107.04945	1.0
107.08575	30.2
109.06483	3.9
109.10139	42.8
111.04371	1.0
111.08073	1.4
117.06969	7.0
119.08546	19.4
121.06485	1.3
121.10120	16.2
123.08056	1.8
123.11697	3.9
125.09599	11.2
129.06956	3.1
131.08536	10.6
133.06505	1.0
133.10094	9.4
135.08005	1.9
135.11662	10.7
137.09584	3.6
143.10612	1.2
145.10115	10.1
147.07956	1.2
147.11678	6.0
149.13225	3.3
153.12775	1.2
155.10651	1.3
157.10104	3.1
159.11667	5.4
160.39171	0.9
161.09567	1.6
161.13243	5.5
163.11179	1.5
163.14720	0.8
169.10008	1.1
171.11737	1.2
172.12560	0.9
173.11681	8.0
173.13081	2.6
191.10629	1.0
193.12277	1.4
199.13272	4.3
227.12698	3.5
229.14281	19.9
243.20970	1.9
261.22031	5.5
267.15704	1.2
277.21347	1.0
301.16324	11.1
317.24707	1.1
335.25729	42.6
345.23996	1.2
363.24945	1.5
455.63690	0.8
464.81433	1.0
477.35928	6.4
489.35391	13.3
517.35071	1.1
543.36401	1.9
561.37787	6.6
645.32324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.7
55.05505	28.4
57.03172	1.5
57.03429	21.5
57.07062	1.3
57.68614	1.0
61.02906	4.9
65.03915	1.4
67.05141	2.2
67.05492	49.4
67.05850	1.8
69.03413	7.1
69.07053	23.6
71.04977	7.7
72.38812	0.8
72.42503	1.0
73.02903	1.3
76.56789	1.1
79.05477	48.9
81.03400	53.7
81.07040	100.0
83.04958	23.0
83.08601	30.3
85.02404	1.9
85.02889	26.7
85.06534	4.9
91.05461	51.4
93.07024	38.7
93.72726	0.9
93.99544	1.0
95.04949	30.4
95.08585	32.7
97.02885	4.6
97.06500	10.6
97.10122	4.8
99.08056	1.6
105.07011	43.5
107.04944	15.7
107.08585	24.4
109.06504	29.9
109.10146	11.5
111.04442	1.5
111.08064	12.3
115.05427	1.2
117.06978	13.2
119.08554	36.4
121.06483	4.4
121.10107	19.1
123.08045	8.5
123.11678	5.4
125.09568	1.3
127.07555	1.4
129.06969	13.7
131.08546	25.5
133.06479	4.7
133.10112	26.8
135.08034	5.4
135.11664	4.7
137.09608	5.7
139.07526	1.1
139.11292	1.2
141.06982	1.2
142.07800	4.2
143.08549	1.7
145.06461	1.3
145.10110	16.1
147.08064	2.2
147.11674	30.2
149.09587	12.4
149.13237	5.5
151.11166	2.0
154.52487	1.0
155.08490	1.5
157.10120	18.3
159.08029	1.2
159.11685	8.7
161.13298	1.5
163.11130	8.0
165.12717	7.3
173.09589	1.3
173.13216	2.4
175.11156	15.1
175.14716	1.4
177.12680	1.4
183.11771	1.2
185.13206	1.6
193.12218	35.6
206.02327	1.0
211.13281	32.9
219.17339	1.1
229.19504	2.0
239.17920	1.6
247.20468	1.7
257.18988	4.5
267.15875	23.2
269.17169	1.3
275.17062	1.5
275.20020	29.9
285.16907	54.9
293.21152	7.7
349.23624	21.8
367.24762	20.2
467.31345	2.2
475.42636	1.0
485.33148	1.2
514.82947	1.1
533.08606	1.1
541.35260	33.8
559.36218	62.7
560.36700	1.3
577.37195	36.7
599.37720	1.2
615.23853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.5
55.05504	55.5
57.03425	24.9
59.04991	2.1
61.02911	2.6
65.03903	1.3
65.66718	0.9
67.05148	2.3
67.05492	56.6
69.03427	10.3
69.07056	25.4
71.04991	10.4
71.69740	1.0
73.02892	1.1
79.05473	58.9
81.03400	73.8
81.07037	72.1
83.04961	30.5
83.08117	2.1
83.08604	50.5
85.02892	37.8
85.06513	4.2
91.04879	2.2
91.05459	68.5
92.09323	3.3
93.07025	57.7
95.04946	100.0
95.08005	2.2
95.08582	37.7
97.02847	4.2
97.06511	10.9
97.10152	13.3
99.04406	5.5
99.08069	1.3
105.04485	1.3
105.07015	57.0
107.04943	23.4
107.08572	38.5
109.06497	16.7
109.10144	14.4
111.04416	12.1
111.08064	11.9
113.05958	3.9
115.05380	1.6
117.06992	16.4
119.08561	47.9
121.06458	9.4
121.10123	27.0
123.08038	11.6
123.11674	4.7
125.09589	12.8
128.06264	1.5
129.06982	17.9
130.07773	1.8
131.08536	32.8
133.06458	4.9
133.10097	28.2
135.08006	5.7
135.11664	11.1
137.09584	6.7
139.11168	1.2
141.06996	1.5
142.07758	5.5
143.08542	5.5
145.06400	1.4
145.10098	22.6
147.08023	9.5
147.10585	1.7
147.11681	28.8
149.09602	33.0
151.11235	2.4
153.09108	1.1
153.12675	1.3
155.08508	1.9
157.10121	17.9
159.11694	13.4
161.09560	2.0
161.13222	3.8
163.11151	31.8
165.09088	1.5
165.12709	6.2
169.10106	2.4
171.11678	4.1
173.09636	2.3
173.13161	1.5
175.11143	17.3
177.12686	6.9
183.11635	1.7
187.11133	2.4
187.14836	1.3
189.11136	6.2
193.12202	39.0
197.13284	1.5
201.12570	1.3
205.12114	5.0
211.11508	1.6
211.13249	42.8
215.14549	1.1
223.13239	23.5
227.12808	1.2
229.19269	3.5
230.40398	1.1
239.17891	4.3
257.18933	5.9
267.15894	24.7
269.17459	1.4
275.19998	50.2
280.45334	1.3
285.16898	53.1
293.21063	24.1
349.23642	20.9
367.24728	38.0
431.86423	1.1
461.28763	1.4
479.30118	1.2
541.35242	23.0
559.36169	46.9
560.36200	1.3
577.37250	70.4
597.69427	1.0
776.38477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03417	0.5
57.11009	0.4
65.03923	6.0
67.05477	0.9
69.03417	2.9
75.04466	0.5
79.05454	0.9
80.83382	0.5
81.03374	0.8
85.02881	5.1
91.05463	4.8
93.03381	2.8
94.97612	0.5
95.01304	0.6
95.04948	2.6
97.02865	0.9
103.05427	1.1
107.04937	4.5
108.02115	0.7
109.02856	0.8
110.03668	6.7
111.04414	9.7
115.05413	0.9
119.04935	4.0
121.02853	4.4
121.06468	3.5
123.04433	1.1
125.05977	12.2
127.03877	0.5
129.06967	4.1
131.04916	3.4
131.08517	0.7
132.57333	0.5
133.02821	5.6
133.06444	1.0
135.04387	1.1
135.08003	0.7
137.05952	11.4
138.03043	1.0
139.03888	0.7
145.06471	3.0
147.04417	5.2
147.07988	0.7
148.05138	0.7
149.02312	1.0
149.05943	2.7
151.03912	0.9
151.07527	9.1
153.04420	0.7
153.05449	19.0
153.06770	0.7
157.06458	4.3
159.04387	0.7
159.07997	2.9
161.05969	5.7
161.09570	1.2
162.06650	0.8
163.07516	3.9
165.06998	1.2
165.09052	0.7
167.07024	11.5
167.08430	1.3
173.05870	0.7
174.06741	3.1
175.07549	4.7
177.05447	3.0
177.09088	1.1
178.07788	0.7
179.07030	3.3
181.04930	8.8
181.06459	1.5
181.08566	3.3
183.07925	0.6
187.07520	1.0
188.08250	0.7
189.09038	6.7
191.06970	2.3
193.08618	1.0
193.10269	0.7
195.08046	4.1
195.10120	0.9
197.00978	0.6
197.06088	0.6
197.09604	0.6
198.06894	0.5
201.09146	0.8
203.07057	0.7
205.06427	0.6
205.08533	0.8
206.07216	2.3
207.08110	1.1
209.06079	0.7
209.07918	0.9
209.09732	1.1
210.06781	1.2
211.07533	2.9
212.08293	2.3
213.09073	0.9
217.06674	0.6
217.08589	0.8
219.07971	2.3
219.10144	5.5
221.06012	1.6
221.07755	0.7
221.09738	4.0
222.10519	0.6
223.07481	4.8
223.10994	0.5
224.08347	1.9
225.09128	4.3
227.07027	2.7
227.10608	1.2
229.08414	0.6
231.07997	0.9
234.06715	2.5
235.07500	2.1
236.08218	0.6
237.05463	0.7
237.08994	4.1
238.06201	2.2
238.09859	3.6
239.07013	3.7
239.10677	1.9
240.07773	7.5
241.08574	2.5
247.07549	1.0
248.08246	1.0
249.09004	5.1
249.11266	1.0
250.09837	0.7
251.07021	4.5
251.10732	1.1
252.07722	3.9
253.08557	16.2
253.12068	4.2
254.09222	3.7
255.06471	1.2
255.10141	4.2
257.07947	3.5
257.11752	0.7
263.06992	1.2
263.10522	0.7
264.07782	0.7
265.08487	4.1
266.05835	0.6
266.09317	4.8
267.06528	1.0
267.10104	5.8
268.07254	2.4
269.08060	4.4
269.11362	0.8
270.08838	3.4
271.13165	1.2
277.08499	3.3
278.09137	0.7
279.06509	0.9
279.10104	2.0
281.08069	5.6
281.11642	7.0
282.08832	0.9
283.09583	9.1
283.12686	1.0
284.10324	2.7
285.07584	2.1
285.11227	4.8
285.14478	1.1
293.11627	0.8
294.08810	1.2
295.09653	4.3
296.10452	2.2
297.07758	0.9
297.11169	3.4
298.08344	2.7
298.11890	2.5
299.12720	6.7
300.09818	6.3
309.11179	8.8
310.12021	1.2
311.09195	0.8
311.12698	1.9
313.10629	24.4
313.14307	15.3
314.11258	0.7
315.12088	0.8
326.11444	2.9
327.12210	30.3
328.12894	2.7
329.13858	5.0
331.15298	6.4
339.12164	5.1
341.13776	9.4
343.15198	2.4
355.15225	1.0
357.13199	3.2
359.14816	100.0
360.15256	3.1
361.16400	5.7
367.15155	0.7
371.14862	17.1
373.16196	0.8
375.14185	0.7
385.16183	0.8
389.15887	7.9
509.21310	3.0
521.21277	1.1
780.86420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35955	0.2
53.66720	0.3
55.01860	1.2
56.66046	0.3
57.03421	0.3
63.02504	0.3
63.58999	0.3
65.03930	6.5
67.05482	1.2
69.03416	0.7
75.24867	0.3
77.03916	0.3
79.05482	1.1
81.97251	0.4
82.04172	0.6
84.23651	0.3
85.02872	0.6
91.05453	1.8
91.75654	0.3
91.82314	0.3
93.03390	3.3
95.01341	0.5
95.04951	1.8
97.02859	0.4
97.06522	0.4
103.05450	0.4
105.06995	1.3
107.04943	3.0
110.03668	6.8
111.03673	0.4
111.04431	9.7
115.05411	0.5
117.07018	0.3
119.04922	2.9
121.02852	7.3
121.06481	1.8
121.83609	0.3
122.03611	0.6
123.04391	1.3
125.05978	11.6
128.06189	0.4
129.07016	2.9
131.04890	2.2
131.08539	0.7
133.02832	5.2
135.04430	0.5
135.08040	0.7
137.05972	7.2
138.03075	0.5
139.03879	0.7
144.05664	0.4
145.06508	0.7
147.04369	2.9
149.02332	2.7
149.05980	1.5
151.03914	0.4
151.07513	3.8
153.05453	17.7
157.06467	1.4
159.08051	1.4
160.05113	0.6
161.05974	3.4
161.09647	2.1
162.06757	1.5
163.07555	2.3
165.05486	0.7
165.06981	1.1
167.07019	4.1
167.08542	1.2
169.06458	0.3
174.06702	2.2
175.07536	3.2
177.05431	0.7
177.09076	0.7
178.07771	0.6
179.07008	1.2
179.08571	1.4
181.04941	2.9
181.06487	1.3
181.08595	1.1
182.07243	0.4
183.08075	0.5
184.05159	0.7
187.07503	1.5
188.08327	0.7
189.05467	0.4
189.07245	0.4
189.09094	4.7
191.07011	1.4
191.08473	0.9
193.06488	0.5
193.08566	1.1
193.10118	0.5
194.07237	1.2
195.08054	3.1
196.08772	0.3
197.05867	0.7
197.09624	0.7
199.07483	0.5
201.09071	0.3
201.64105	0.3
206.07288	0.5
207.08040	1.2
208.08788	0.5
209.06015	1.2
209.09645	1.3
210.06764	2.0
210.10410	0.3
211.07535	2.8
211.11214	0.4
212.08275	1.9
213.09091	0.5
215.46750	0.3
217.06612	0.3
217.08585	0.6
219.07986	1.3
219.10162	2.3
220.08826	0.4
221.05937	1.9
221.09680	2.4
222.06758	1.1
222.10419	1.2
223.07518	3.8
223.11133	0.5
224.08278	1.6
225.05449	0.5
225.09088	3.8
226.09785	0.5
227.06992	2.0
227.10680	1.8
231.07935	0.4
233.09792	0.4
234.06744	1.5
235.07483	2.6
236.08205	1.0
237.05527	0.6
237.09015	3.7
238.06276	2.4
238.09807	4.0
239.07014	3.3
239.10611	2.1
240.07776	9.5
241.08507	2.4
242.09288	0.4
246.99538	0.3
247.07487	0.4
248.08463	0.4
249.05342	0.5
249.09082	4.9
249.11305	1.4
250.09950	0.5
251.06946	2.4
251.10681	2.2
252.07765	2.8
253.08571	18.0
253.12209	5.5
254.09280	3.0
254.12846	0.4
255.06430	1.6
255.10138	5.0
257.07986	2.5
257.11670	0.4
261.09009	0.7
263.07025	1.2
263.10614	0.4
264.07666	0.7
265.08655	2.5
266.06635	0.5
266.09305	4.0
267.06570	1.9
267.10129	5.0
268.07297	3.0
268.10773	0.5
269.08063	3.6
269.11362	0.5
270.08832	2.8
271.13211	1.0
272.10577	0.5
277.08508	3.0
278.09268	0.7
279.06650	0.6
279.10162	1.7
280.07211	1.2
280.10458	0.4
281.08060	5.0
281.11710	6.7
282.08896	2.5
283.06357	0.6
283.09613	9.0
283.12909	0.9
284.10327	3.6
285.07599	1.5
285.11148	3.4
285.14819	2.5
293.07935	0.5
293.11795	0.5
294.08807	1.5
295.09549	3.7
296.10367	1.5
297.11148	2.1
298.08594	0.6
298.11914	2.5
299.09305	0.6
299.12717	8.6
300.09985	2.3
303.16028	0.5
307.09653	0.4
309.07684	0.5
309.11130	9.1
310.11884	3.0
311.12711	1.6
312.09888	0.4
313.10657	12.4
313.14328	5.3
314.11075	0.5
316.13080	0.4
321.11017	0.4
326.11621	0.6
327.12219	31.7
328.12985	3.2
329.13699	2.7
331.15341	5.0
339.12137	2.6
341.13785	4.5
343.15439	1.4
345.16989	0.6
357.13266	1.3
359.14841	100.0
360.15253	2.1
361.16425	2.5
371.14810	10.5
375.14572	0.4
389.15900	8.8
463.01822	0.3
471.68240	0.3
491.20273	0.6
509.21698	2.8
521.21075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73834	0.1
67.05474	0.1
69.03408	0.2
77.81838	0.1
78.04682	0.8
79.05477	0.8
81.03385	0.2
81.07032	0.2
85.02894	0.7
91.05450	0.6
93.07011	0.5
95.04939	0.2
97.02853	0.2
103.05425	0.4
105.03355	0.1
105.07026	0.9
105.63628	0.1
106.04128	0.8
107.04935	1.4
107.08559	0.1
109.02861	0.2
109.06467	0.1
115.34904	0.1
115.58224	0.1
119.08529	0.1
121.06471	0.6
122.03585	0.2
123.04398	2.8
124.05201	1.2
127.36245	0.1
131.04916	0.2
133.06476	1.1
134.03574	0.2
137.05965	1.6
145.06506	0.1
149.05954	0.9
151.03882	0.6
151.07510	0.6
152.04668	1.5
161.05978	0.9
163.07533	0.5
165.09030	0.1
166.06363	0.1
167.07007	100.0
168.07336	0.6
175.07422	0.1
179.07008	0.3
180.46608	0.1
181.08557	0.9
193.08572	4.1
211.09625	9.0
249.69765	0.1
357.16940	0.4
375.17804	0.7
402.84744	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.05509	2.2
57.03436	4.0
61.02927	7.2
66.65117	0.8
67.05489	7.3
69.03426	5.0
69.07069	4.0
73.02905	6.2
76.36833	0.8
78.06662	0.9
79.05472	7.2
81.03407	3.6
81.07050	9.6
83.01118	1.0
83.08627	1.2
85.02898	8.3
91.03954	6.2
91.05481	5.1
93.07039	10.6
95.04955	1.3
95.08608	5.6
97.02866	7.7
97.06515	1.4
99.04483	1.2
101.02386	1.2
105.07040	5.8
107.08622	5.3
109.06566	1.3
109.10159	1.9
117.07041	1.1
117.83464	0.8
119.08580	4.4
121.10162	4.4
127.03913	1.5
129.05502	1.0
131.08586	2.3
133.10123	2.0
135.08078	1.2
135.11662	2.0
137.09593	1.2
144.58398	1.1
145.10141	3.9
147.11688	1.2
159.08040	0.9
159.11699	1.2
161.13307	1.4
163.11256	1.2
181.04732	1.1
185.04198	9.4
201.03714	1.8
201.16295	1.1
202.29182	1.0
203.05307	1.5
243.08420	4.3
251.12863	1.1
291.10800	1.2
301.08875	18.8
313.09195	1.4
315.10327	6.9
329.12033	1.2
357.15320	1.2
369.15207	2.4
371.16617	2.1
373.11072	10.2
385.18246	7.8
387.12799	1.6
429.17404	1.2
459.28464	1.1
469.20721	4.1
483.21884	1.1
497.93204	1.0
519.29236	18.3
578.30487	6.8
579.03064	1.1
591.31396	9.3
605.33368	1.5
619.33881	1.3
661.39374	4.5
662.39117	7.3
679.39740	1.2
745.41187	1.3
763.42273	100.0
764.42169	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	764.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
62.60351	0.4
62.95053	0.4
65.03912	1.3
65.28274	0.4
67.05486	0.8
69.03408	1.0
79.05458	2.8
81.03392	2.6
85.02889	4.3
86.01945	0.6
91.05457	5.8
92.08964	2.5
93.07003	0.6
94.04147	0.7
95.04932	4.4
95.34172	0.5
97.02874	0.6
97.06537	0.9
103.05451	26.5
105.03362	1.3
105.07007	4.3
107.04929	4.8
108.02068	0.6
109.06506	1.0
111.04399	1.0
115.05435	4.6
117.07002	4.9
118.04142	4.8
119.04939	5.9
120.05756	0.5
121.06484	1.0
122.02847	0.6
122.03596	5.4
123.04380	3.1
123.37012	0.6
124.05222	0.6
125.05978	3.0
128.06192	0.5
129.06967	2.7
130.04082	0.7
131.04895	49.0
132.05692	0.7
133.02841	5.4
133.06454	5.0
135.04391	1.0
135.08026	2.0
137.05954	95.9
141.05444	2.1
143.04892	2.5
144.05684	0.9
145.06451	5.6
146.03630	1.3
147.04375	8.5
147.08009	0.9
148.05170	13.0
149.05986	3.6
151.03883	93.5
151.04967	6.5
151.07526	2.8
153.05440	1.2
157.06482	1.0
159.07996	1.0
160.05164	3.2
161.05951	6.1
162.06647	1.0
163.07506	32.4
165.05415	4.4
165.09119	0.6
167.06993	9.8
169.06409	0.5
171.04385	1.1
173.05933	5.9
174.06717	0.7
175.07510	10.9
176.04665	2.7
177.05444	2.8
177.09077	1.1
178.06213	0.6
179.07007	3.8
179.08426	0.7
181.04922	24.8
181.06470	1.2
187.07440	4.4
189.05385	1.2
189.09047	2.9
190.06102	0.6
191.06993	100.0
192.07600	1.2
193.04942	0.9
193.08542	1.3
195.06425	1.0
199.07486	0.7
201.05408	0.9
201.09207	0.8
203.06946	5.4
205.06619	0.9
205.08591	5.0
207.10083	1.1
209.08061	3.6
215.06833	0.6
217.06477	0.8
217.08554	2.2
219.10106	0.9
222.06656	0.9
223.09669	1.9
227.07224	0.7
233.08049	4.0
234.06769	1.0
235.07358	2.1
235.09618	4.4
237.09067	3.0
245.08127	0.8
249.08942	1.3
263.06647	1.1
263.09103	16.5
265.08496	2.2
267.10071	1.1
277.08493	2.6
295.09653	3.0
307.09445	0.8
309.11154	2.4
312.09830	0.6
325.10648	1.1
327.12173	3.3
329.13644	1.3
337.10770	1.0
339.12115	1.0
341.13571	0.7
351.12378	2.3
355.11636	7.5
357.13428	1.0
359.14807	2.4
365.13953	0.6
369.09122	0.8
369.13217	5.2
383.14539	0.9
387.14288	49.5
388.14694	0.7
456.11700	0.6
549.21155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01857	1.2
55.05518	1.4
57.03437	5.4
57.07056	1.2
61.02916	5.5
67.05492	5.6
69.03426	2.8
69.07059	1.8
71.04983	1.4
73.02907	5.6
76.03145	1.2
79.05495	6.4
81.07030	8.7
83.04996	1.8
83.08624	1.7
85.02905	5.9
91.03948	5.5
91.05462	5.9
93.07024	9.0
95.04981	1.9
95.08626	5.9
97.02899	2.3
105.07037	7.3
107.08618	5.1
109.06588	2.0
109.10168	2.2
117.05508	1.2
119.08591	2.9
121.10170	2.3
127.03889	1.6
129.05492	2.4
131.08601	1.8
135.11678	1.3
145.10149	5.9
147.11681	2.2
185.04189	9.9
199.85693	1.2
201.03743	2.1
241.86282	1.4
243.08536	4.6
261.14786	1.4
301.08902	21.8
315.10556	7.1
342.37503	1.4
355.13562	1.6
371.16925	2.4
373.11145	8.1
385.18307	11.1
413.26599	1.6
420.39404	1.4
429.17444	2.2
454.39151	1.3
469.20590	5.7
483.34402	2.5
509.23352	2.2
519.29474	16.7
578.30707	8.9
591.31738	8.4
661.39136	5.7
662.39923	6.0
679.41315	1.3
745.42047	2.0
763.42267	100.0
764.42365	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.5
53.03941	5.3
54.82432	0.9
55.01871	19.6
55.02124	1.7
55.05507	44.2
57.03432	40.1
57.07067	6.1
61.02911	13.0
65.03931	4.6
67.05496	100.0
69.03417	8.9
69.07056	28.5
71.01335	1.3
71.04985	5.0
73.02903	12.0
79.05478	77.7
80.06268	1.8
80.80186	1.1
81.03402	21.7
81.07043	82.1
82.04180	6.0
83.04971	20.8
83.08606	20.2
85.02898	12.3
85.06536	4.0
87.04463	1.2
91.03948	2.1
91.04887	1.6
91.05464	55.4
92.09303	3.7
93.07027	70.2
94.07813	1.6
95.04955	26.4
95.08590	58.2
95.09206	2.1
97.02898	9.7
97.06519	11.6
97.10152	21.5
98.07288	10.5
99.04449	1.1
99.08094	1.4
101.05997	2.2
105.07022	35.9
107.04935	7.0
107.08583	40.0
109.06493	7.1
109.10141	26.1
111.08081	5.1
115.05447	2.0
116.04707	25.8
117.07022	14.6
119.08567	28.3
121.06514	2.5
121.10133	27.5
123.08013	7.4
123.11684	6.9
125.09607	16.1
127.11205	1.2
128.06259	1.1
129.05460	67.2
129.06886	8.4
130.07808	1.5
131.08548	21.3
132.09399	0.9
133.10103	20.8
135.08029	5.5
135.11684	15.1
136.08844	1.2
137.09648	4.1
137.13286	1.3
139.11215	1.1
142.07774	1.7
143.07013	13.0
143.08604	2.0
145.10138	14.1
147.07999	2.4
147.11674	15.6
149.06046	1.0
149.09618	4.6
149.13235	8.1
151.11273	1.4
153.09099	1.5
153.19792	1.1
156.17101	1.0
157.08601	28.6
157.10092	6.5
159.11679	8.0
161.09593	1.8
161.13257	5.4
163.11197	3.9
163.14757	1.2
165.12677	1.2
171.10149	8.6
171.11603	2.1
173.13268	5.4
175.11192	3.9
175.14799	2.2
181.12196	1.4
185.11696	1.8
187.14795	1.8
189.11264	10.3
189.12686	1.5
193.12199	7.2
199.13228	7.3
200.14120	4.2
201.16299	1.7
209.11682	1.2
210.12486	1.7
211.13315	1.6
227.12682	7.8
243.21094	1.6
255.15778	1.9
259.20554	2.5
261.22122	10.0
267.15897	5.0
277.21628	2.2
301.16409	95.8
317.24863	2.2
335.25742	65.0
363.00491	1.2
369.62521	1.1
382.87006	1.2
389.26602	1.3
401.75439	1.1
527.37256	4.5
543.36938	1.5
545.38013	1.6
561.37732	49.9
670.30164	1.2
709.89545	1.1
743.10938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.8
53.03938	4.4
55.01868	21.1
55.05506	46.2
56.05819	0.7
57.03429	36.0
57.07064	6.0
59.04973	1.3
61.02916	14.1
65.03922	4.0
67.05492	100.0
69.03411	7.4
69.06712	1.3
69.07054	24.8
70.04199	0.7
71.04985	5.5
73.02911	7.8
79.05475	73.1
80.06235	1.8
81.03402	14.6
81.07039	87.7
82.04184	4.0
83.04971	17.5
83.08606	19.3
84.05754	1.8
85.02891	11.8
85.06528	4.4
91.03947	1.6
91.05462	53.4
93.07025	80.3
94.07829	1.1
95.04948	23.5
95.08588	59.4
97.02865	7.3
97.06504	9.3
97.10139	16.0
98.07293	8.7
99.04424	1.0
99.08083	3.1
103.05453	1.3
105.04520	1.4
105.07010	35.2
107.04927	4.8
107.08578	43.1
109.06494	6.1
109.10146	25.6
111.04457	1.3
111.08054	6.2
111.21854	1.0
115.05451	1.0
116.04687	16.2
117.05522	0.8
117.07005	13.8
119.08558	27.2
120.84602	0.8
121.06480	1.2
121.10118	25.6
123.08047	6.0
123.10899	0.8
123.11646	7.3
125.09617	16.3
127.11122	0.9
129.05449	39.9
129.06909	7.8
130.07750	1.4
131.08546	21.7
133.06462	1.0
133.10098	19.4
135.08055	4.1
135.11674	17.7
136.08713	1.1
137.09605	3.7
137.13274	1.0
139.11050	0.8
141.09000	0.8
142.07793	1.5
143.06998	10.8
143.08519	3.9
145.10107	15.6
147.08046	3.0
147.11678	13.1
147.12776	1.2
149.09628	5.0
149.13243	7.6
151.11105	1.1
153.09102	1.4
157.08575	20.7
157.10088	6.4
159.07881	1.1
159.11674	9.2
161.13251	5.3
163.11150	5.1
163.14792	1.9
171.06564	0.9
171.10141	5.3
171.11565	2.5
173.11876	1.3
173.13196	7.5
175.11145	3.5
175.14783	1.2
185.11732	1.5
185.13255	1.2
187.14793	4.1
189.11197	4.9
193.12193	5.8
199.13161	5.4
200.14070	1.3
201.16476	1.2
209.11729	1.1
211.13184	1.5
227.12772	7.2
229.14388	1.2
243.21017	1.6
255.15849	1.6
257.77179	0.8
259.20462	1.6
261.22049	9.0
267.15878	3.6
277.21506	4.9
283.15363	1.7
285.17062	0.9
301.16406	48.9
335.25720	69.8
336.26044	1.5
351.24692	0.9
389.26508	0.9
417.30542	1.1
435.32114	0.9
489.35693	1.0
527.37012	5.4
543.36401	1.9
545.38184	1.5
561.37787	87.6
562.37958	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01862	6.3
55.05507	33.5
57.03430	20.1
57.07067	2.6
61.02920	6.0
65.03923	2.3
67.05493	62.8
69.03403	4.7
69.07056	20.0
69.80009	1.1
71.04977	8.4
73.02908	1.4
79.05478	67.7
81.03407	49.3
81.07042	68.4
83.04958	16.8
83.08610	17.8
85.01289	1.3
85.02893	20.7
85.06515	2.1
86.09711	2.0
86.33478	1.5
91.05464	100.0
93.07026	72.7
95.04956	27.2
95.08589	35.7
97.02875	4.5
97.06526	9.3
97.10181	5.1
99.04433	1.4
99.08105	1.4
103.05464	2.1
105.04532	1.9
105.07014	94.3
107.04939	8.1
107.08582	38.4
109.06510	7.1
109.10143	14.0
111.04415	1.3
111.08074	7.5
113.06024	1.6
116.76734	1.2
117.07005	20.4
119.08560	72.1
121.06458	4.6
121.10125	20.3
123.08047	6.4
123.11702	4.7
125.09656	2.0
128.06256	2.0
129.06982	23.8
130.07796	2.1
131.08545	37.7
133.06458	2.1
133.10110	52.2
135.07971	1.8
135.11655	16.3
135.35510	1.1
137.09608	2.9
142.07761	6.6
143.08583	11.5
145.10115	29.1
147.07993	2.3
147.11674	46.6
149.09616	8.7
149.13268	7.6
155.08640	1.9
157.10124	22.5
159.11653	18.5
161.13235	17.9
161.35513	1.3
163.11208	2.6
165.12779	1.4
169.10048	2.2
171.11655	13.2
173.13216	9.3
175.11171	11.1
175.14810	7.1
177.12822	1.3
181.10124	2.1
183.11705	2.0
185.13284	6.7
187.14819	4.8
193.12224	22.4
196.57317	1.4
197.13277	4.8
199.14789	5.5
211.13252	20.7
211.14987	2.0
222.34416	1.3
231.21143	2.5
241.19449	18.9
259.20523	45.0
267.15884	7.9
268.67245	1.3
285.16913	27.2
315.23087	4.6
333.24194	32.8
389.04230	1.4
433.30911	4.7
451.31937	3.1
469.32813	1.9
515.37311	2.6
525.35706	19.3
543.36713	63.1
554.85217	1.4
670.16986	1.6
687.40271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
53.10023	1.5
55.01872	4.7
55.05508	31.5
57.03423	22.1
57.07069	2.2
61.02906	3.0
65.03925	2.7
67.05495	59.1
68.67520	1.8
69.03429	4.3
69.07059	17.0
71.04990	4.1
72.12839	1.7
72.82510	1.6
73.31927	1.7
76.05731	1.6
79.05474	74.2
81.03400	63.0
81.07036	67.0
81.07475	3.3
83.04961	17.3
83.08611	22.9
85.02884	28.7
85.06550	3.9
91.05460	100.0
93.07022	73.6
95.04944	37.8
95.08586	40.0
97.02904	2.0
97.06525	7.3
97.10108	2.8
105.07012	80.3
107.04962	10.1
107.08571	36.8
109.06506	8.8
109.10154	12.8
111.08080	8.7
117.06981	24.3
119.08563	75.7
121.06504	3.3
121.10104	29.6
123.08067	4.1
128.06194	3.2
129.06984	27.6
131.08542	34.6
133.06483	2.6
133.10115	50.0
135.11653	14.5
137.09648	3.2
142.07780	8.5
143.08536	15.4
145.10110	24.7
147.08075	3.7
147.11661	40.5
149.09628	8.4
149.13257	7.3
155.08546	3.5
157.10083	20.9
159.11620	18.9
161.13248	22.6
163.14659	1.7
165.12685	2.7
169.10092	2.5
171.11665	15.1
173.13257	8.9
175.11118	14.8
175.14786	4.1
183.11565	2.7
184.07288	2.9
185.13231	10.5
189.12842	2.6
193.12244	31.9
199.14764	8.2
203.14267	2.7
206.00081	2.3
211.13246	29.4
225.87981	1.9
241.19547	18.0
259.20532	41.8
267.15884	11.0
285.16913	39.7
315.23166	4.4
327.88565	2.0
333.24133	39.4
347.74069	1.9
373.12662	2.3
433.30981	8.8
451.31955	2.8
525.35699	24.8
543.36664	60.3
552.39404	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
53.41146	1.9
55.01865	11.6
55.05264	2.7
55.05505	38.0
56.94113	1.9
57.03425	28.4
57.07066	2.4
59.04990	3.3
61.02908	8.2
61.19886	1.9
65.03911	3.1
67.05495	100.0
67.69537	1.7
69.03410	2.5
69.07049	26.5
71.04976	4.8
79.05478	80.3
81.03398	16.3
81.07042	91.3
83.04974	24.5
83.08600	12.9
85.02872	10.0
85.06522	3.7
91.05456	54.9
93.07029	89.3
95.04941	25.5
95.08009	3.8
95.08590	69.6
97.02882	13.3
97.06494	10.8
99.04416	3.5
105.07018	38.8
107.04921	14.2
107.08582	54.9
109.06515	8.9
109.10142	33.5
111.04407	14.2
111.08059	7.5
115.05402	2.4
117.07001	22.7
119.08543	31.7
121.06487	4.9
121.10114	35.6
121.75358	1.9
123.08050	9.1
123.11697	8.0
125.05988	2.5
125.09623	2.6
128.06236	2.7
129.06990	4.4
131.08565	29.5
133.10120	22.3
135.08047	8.4
135.11679	24.3
137.09512	3.1
143.08566	8.1
145.06532	2.6
145.10123	32.4
147.08011	2.5
147.11691	9.8
149.09639	2.8
149.13271	9.4
151.11166	3.1
153.12686	8.4
155.08521	4.8
157.10132	4.6
159.11714	8.7
161.09589	2.8
161.13246	8.1
163.11168	26.1
173.09607	4.7
173.13319	2.8
175.11104	2.4
181.12268	7.4
184.07222	2.9
187.14870	3.3
189.66704	1.9
191.10606	9.7
193.12498	2.1
198.93336	2.0
201.16356	3.1
204.23540	2.1
209.11688	18.8
221.15895	2.2
227.12759	11.8
227.73401	2.5
243.20961	3.2
261.22064	8.8
273.22232	2.3
283.15356	37.5
284.22220	1.9
299.14896	3.0
300.15237	3.0
301.16422	26.7
317.24307	2.6
335.25797	66.3
336.26038	4.0
378.93716	2.1
433.30875	3.3
451.31961	3.4
455.21478	2.3
469.32553	2.8
494.67050	2.1
524.82196	2.2
525.35754	7.0
543.36755	62.2
561.37567	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	756.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.1
55.05499	34.9
57.03429	14.6
67.05491	56.0
69.03419	4.9
69.07053	30.4
71.04958	5.0
71.15566	2.4
78.29874	2.8
79.05476	53.8
81.03403	64.6
81.07040	59.5
83.04967	26.7
83.08623	26.0
85.02891	15.5
85.06532	3.4
89.98862	3.1
91.05462	56.6
93.07023	56.7
95.04955	47.4
95.08578	33.9
96.37144	2.8
97.06516	11.9
97.10123	2.8
98.23833	2.5
105.07017	61.4
107.04948	20.9
107.08598	40.4
108.32301	2.5
109.06485	17.4
109.10146	11.7
111.08067	6.7
117.07007	16.8
119.08576	44.0
121.06524	12.5
121.10117	16.3
123.08014	5.1
125.09636	3.0
128.33331	3.0
128.88802	2.9
129.06985	15.7
131.08525	41.5
133.06496	6.0
133.10121	33.5
135.08015	4.7
135.11691	6.9
137.09627	5.4
142.07822	4.4
143.08478	5.3
145.10109	31.5
147.08014	5.5
147.11667	30.4
149.09624	13.5
149.13319	3.6
155.08531	4.6
157.10130	19.7
159.08043	4.5
159.11655	12.6
163.11156	10.6
173.13248	6.2
174.34720	3.0
175.11154	13.5
183.11679	3.7
191.14319	4.3
193.12190	29.0
207.13730	3.4
208.43387	3.0
211.13239	30.9
229.19345	4.5
257.18991	6.6
267.15863	18.2
275.20010	68.3
281.87323	3.2
285.16949	18.5
293.21075	5.4
312.39224	3.9
339.08685	2.8
349.23627	62.9
397.42862	3.3
541.26971	4.6
541.35126	99.1
542.35760	3.5
559.36084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	7.0
53.03929	5.8
54.81713	1.1
55.01855	7.5
55.05507	46.4
57.03168	2.0
57.03427	29.9
57.07057	2.6
59.04987	3.2
61.02908	8.8
65.03929	3.2
65.33116	1.5
67.05494	82.5
69.03407	7.6
69.07056	19.2
70.31046	1.3
71.01316	2.0
71.04967	2.9
73.02907	2.3
74.51551	1.2
79.05476	61.2
81.03388	7.3
81.07040	89.8
83.04958	8.4
83.08601	29.1
85.02877	10.3
85.06526	5.5
91.04887	2.2
91.05462	64.0
93.07027	85.8
95.04969	15.2
95.08012	2.5
95.08590	55.6
97.02883	11.3
97.06515	7.8
97.10164	5.4
99.00794	38.2
99.04391	1.3
99.08028	1.7
103.05448	2.3
105.06365	2.2
105.07014	45.5
107.04942	11.4
107.07868	2.1
107.08572	52.0
109.02857	16.7
109.06483	9.9
109.10151	26.9
111.08084	7.8
115.03875	3.1
117.07011	10.5
119.08566	35.1
121.06466	14.4
121.10123	27.0
123.04350	2.4
123.08043	5.3
123.11678	8.7
125.09627	1.9
127.03865	2.9
127.96881	1.3
128.06219	1.8
129.06987	3.1
131.04907	1.4
131.08549	16.7
133.06461	1.8
133.10110	64.7
135.08020	2.9
135.11674	20.0
137.06052	1.3
137.09581	3.0
137.13219	2.2
139.07532	2.5
143.08551	11.2
143.60056	1.3
145.10127	11.1
147.08069	1.7
147.11661	7.2
149.09563	2.5
149.13196	9.3
151.11157	16.7
157.10078	1.8
159.11662	7.6
161.09593	31.2
161.13197	2.6
163.11150	1.7
163.14796	3.3
171.08006	5.4
173.13205	8.1
177.16342	2.0
179.10571	11.5
184.07385	2.0
187.14746	2.2
189.09137	13.3
207.10130	5.5
225.11124	14.4
243.12206	2.2
243.21117	2.6
261.22052	18.2
281.13885	2.2
299.14847	87.8
315.23062	2.7
317.24698	2.5
335.25748	100.0
336.25931	2.2
431.28345	1.5
467.31189	3.3
485.32797	2.1
513.35468	2.1
531.36560	2.5
541.34998	10.2
559.36218	64.2
560.36536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.3
53.62646	1.2
54.95435	1.2
55.01865	12.9
55.05512	30.9
57.03434	21.9
57.07063	1.2
59.04995	2.1
61.02892	1.2
65.03913	2.1
67.05142	2.5
67.05498	55.5
69.03424	18.8
69.07066	10.7
71.01344	1.5
71.04982	13.1
73.02915	2.6
79.05480	55.0
80.06281	1.7
81.03409	100.0
81.07044	48.7
83.01351	1.3
83.04964	28.6
83.08607	22.6
85.02888	27.6
85.06561	1.6
87.04475	1.3
91.05470	47.1
91.06007	2.4
93.07028	36.6
94.04173	2.6
95.04948	35.9
95.08588	17.6
96.69789	1.2
97.02879	25.1
97.06499	8.9
97.10163	11.9
98.03645	10.0
98.07291	1.6
99.04467	4.6
99.08129	2.7
101.06050	1.3
101.25638	1.3
105.07016	37.3
107.04932	21.0
107.08588	21.6
109.02891	7.8
109.06487	9.4
109.10136	16.8
110.07302	5.3
111.04442	9.1
111.08063	11.6
113.06006	5.9
115.05454	1.7
116.04679	1.9
117.07002	9.9
119.08569	29.8
121.06512	2.6
121.10142	14.8
123.04441	5.6
123.08085	5.2
123.11726	2.6
125.06017	2.9
125.09603	10.5
127.03913	6.5
127.07534	1.4
129.05481	4.7
129.07002	15.3
131.08531	14.6
133.06448	3.1
133.10143	17.5
135.04425	2.7
135.08101	5.3
135.11717	2.6
137.09633	4.9
142.07770	5.0
145.06502	1.4
145.10092	9.3
147.08078	5.1
147.11679	16.2
149.09636	6.7
153.09123	3.0
153.12703	2.3
157.08771	2.4
157.10135	17.0
163.11186	8.3
165.12752	2.7
173.04460	14.4
173.11722	4.6
175.11189	10.6
181.12196	2.3
189.11153	2.3
191.10728	2.1
193.12212	32.1
199.06075	7.2
199.13321	1.4
209.11729	7.2
211.13287	33.7
224.14131	2.4
227.12764	9.0
229.14270	2.6
265.14166	1.6
267.15912	18.1
283.15314	7.0
285.17001	17.0
337.16077	1.7
339.17981	1.6
421.25760	6.9
427.19907	1.6
439.26819	36.9
445.20590	1.8
459.27356	1.6
475.26727	4.9
476.27567	2.1
493.27899	12.3
511.28918	11.2
639.33307	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	752.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
57.03425	0.8
62.55372	0.7
64.32702	0.7
65.03931	1.7
67.05489	0.8
69.07027	1.3
70.43423	0.8
79.05465	4.2
81.07042	11.5
85.02884	2.1
91.05470	11.4
92.09363	1.6
93.07014	1.9
94.04160	1.6
95.04926	5.1
95.08598	3.4
103.05457	3.7
105.07025	7.0
107.04931	5.6
107.08543	1.5
109.06500	1.5
111.04412	3.2
115.05418	4.0
117.07000	5.1
119.04900	9.0
121.06463	8.3
122.03642	6.5
123.04415	3.8
123.08052	2.0
125.05958	1.3
127.03858	0.9
128.06236	1.1
129.06970	7.7
131.04883	4.4
131.08556	2.0
133.06476	2.2
135.04411	3.8
135.08044	4.9
136.05167	1.4
137.05956	100.0
137.13193	1.2
143.04829	1.7
144.05641	1.1
145.06483	4.6
146.03583	1.0
146.07222	1.0
147.04388	7.9
147.08047	4.5
148.05113	2.0
149.05963	8.0
149.09515	1.2
151.03886	6.9
151.07521	25.5
153.05466	8.8
157.06508	3.8
159.07994	1.6
160.05185	1.5
161.05948	45.3
161.09569	9.4
162.06693	1.6
163.07501	10.3
165.06909	3.3
165.09064	1.7
166.07916	0.9
167.07133	1.3
167.08531	1.8
173.05952	1.0
174.06732	4.7
175.07510	26.6
177.05521	1.0
177.06978	1.1
177.09058	4.6
178.07709	1.3
179.07016	4.0
179.08533	3.4
181.06451	3.7
182.07198	1.4
185.05988	1.4
187.07524	4.6
189.09071	15.5
191.07034	4.4
193.06519	1.2
193.08575	3.5
194.07281	2.2
195.08078	4.2
195.10175	6.9
198.06575	0.9
199.07582	1.2
201.09079	0.9
205.06496	4.7
205.08376	1.1
206.07242	1.6
207.08012	3.9
207.10176	4.9
208.08775	1.6
209.09692	1.1
210.06772	1.4
211.07571	4.0
213.09082	1.5
218.07291	1.0
219.08005	4.4
219.10156	5.2
220.08778	1.3
221.05939	5.4
222.06728	2.0
223.07558	4.3
224.08337	4.6
225.08998	5.8
227.07132	1.0
227.10545	1.1
233.05968	2.0
233.09598	1.2
234.06694	4.7
235.07632	6.3
235.09554	1.0
236.08330	3.4
237.05412	1.4
237.09042	5.8
238.06209	1.0
239.06902	1.4
239.10548	1.5
240.07735	1.5
240.15923	1.0
244.90694	1.1
247.07474	4.5
248.08228	1.9
249.05400	1.2
249.09073	8.8
250.06161	1.7
251.07007	4.9
251.10582	1.5
252.07629	1.5
253.08572	8.3
253.12358	1.2
254.09430	1.2
255.06378	1.3
255.10204	1.9
261.09137	4.0
262.06308	1.9
262.09888	1.1
263.06903	5.0
263.10468	1.7
264.07751	2.0
265.08533	12.1
267.10214	7.1
268.07138	4.1
269.07996	1.8
270.08649	1.9
271.09589	1.6
275.10580	1.4
276.07849	1.4
277.08551	11.2
277.12079	2.0
278.09250	2.1
279.06494	3.8
279.10062	4.0
280.07343	1.0
281.07947	2.2
281.11719	2.2
283.09521	8.4
285.11298	10.2
289.08539	2.2
290.09442	1.8
291.10083	4.2
291.31458	1.0
293.08011	3.7
293.11450	1.7
294.08881	1.8
295.09598	7.9
295.12695	1.0
296.10376	1.4
297.08490	1.2
297.11218	15.9
299.12558	1.0
301.08417	1.0
303.10129	1.8
307.09619	4.5
309.11209	10.7
311.12793	11.6
315.12393	8.0
321.11197	5.1
323.12735	3.8
327.12399	1.4
329.13934	1.1
335.12619	1.7
337.14316	1.9
339.12476	1.4
341.13873	3.2
343.15207	4.4
351.09879	1.1
355.09711	0.8
355.11066	1.1
355.15393	19.5
367.15067	5.3
369.10925	1.2
373.16315	1.8
385.10489	1.0
385.16544	6.4
399.11929	1.4
413.13428	1.3
417.16089	1.2
418.14099	1.5
427.15207	1.2
431.14612	5.6
433.16342	1.1
445.16135	5.3
447.17679	1.8
449.19638	3.7
457.16037	1.4
459.17920	11.2
461.19305	1.0
471.17816	4.7
475.17102	3.3
477.19022	28.2
479.20575	4.2
485.18903	1.0
489.19147	9.3
491.19992	1.2
503.20392	3.4
507.20215	9.4
515.20441	4.9
519.19971	1.1
609.24359	5.6
627.25903	8.2
639.25983	8.4
657.26825	8.2
669.27264	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	750.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
58.66854	0.2
59.20375	0.2
60.27775	0.2
63.61944	0.2
65.03924	0.3
67.05498	0.2
69.03417	1.2
75.70834	0.2
79.05480	2.0
79.88880	0.2
81.03419	0.4
81.07040	0.9
83.04970	0.4
85.02882	0.5
91.05465	4.7
91.40252	0.2
92.09325	0.2
93.03413	0.2
93.07023	0.3
94.04169	1.2
95.04950	1.2
97.06499	0.2
103.05470	2.5
105.04430	0.2
105.07034	1.7
106.04132	0.3
107.04958	3.4
109.06480	1.1
110.03631	0.2
111.04442	0.4
115.05433	2.0
117.07009	2.2
119.04923	3.2
121.06458	1.4
122.03613	4.6
123.04431	2.6
124.05176	1.2
125.05981	0.9
127.07524	0.2
128.06189	0.8
129.06964	2.9
131.04906	5.5
131.08534	2.0
132.05655	0.3
133.02831	2.8
133.06480	2.6
134.03606	0.3
135.04425	0.3
135.08018	0.8
136.05179	0.9
137.05960	100.0
138.06285	0.3
141.06982	1.7
143.04939	0.8
143.08580	0.2
144.05667	1.4
145.06467	3.1
147.04388	2.5
147.08047	0.8
148.05219	0.3
149.05957	1.5
151.03894	0.3
151.07523	5.4
152.04648	0.8
153.05449	1.2
153.06903	0.3
157.06456	2.6
158.07236	0.4
159.04356	0.3
159.08015	3.1
160.05179	0.3
161.05968	5.8
162.06773	0.3
163.07513	5.3
165.05495	0.4
165.06943	0.7
165.09077	0.3
167.07008	47.3
168.07359	0.2
169.06389	0.4
170.07256	0.4
171.08058	0.8
173.05916	1.4
173.09651	0.2
174.06750	1.4
175.07524	5.2
177.05434	0.4
177.09059	1.3
178.06276	0.3
179.07040	2.9
179.08472	0.3
181.06476	0.4
181.08542	1.8
182.07333	0.3
186.06691	0.8
187.07530	6.5
189.09071	5.2
191.06987	1.3
191.08568	0.4
191.10606	0.3
192.07701	0.2
193.06799	0.3
193.08591	3.4
193.10161	0.4
195.07996	0.9
199.07495	1.0
201.09026	3.3
202.07767	0.4
203.06929	0.3
203.08585	0.8
204.07719	0.3
205.08492	2.6
207.07965	0.3
207.10176	0.2
211.07489	0.4
213.09085	0.3
215.06958	0.3
216.07864	0.2
217.08507	0.8
219.08119	0.6
219.10092	5.2
220.08813	0.5
221.05882	0.4
221.09554	0.9
223.07452	0.2
224.08284	0.4
225.09068	0.8
227.06958	0.3
227.10667	0.8
231.07956	1.0
231.10095	1.0
236.08238	0.2
237.09013	0.4
237.11179	1.1
238.09853	0.3
239.10616	1.1
241.08662	0.2
247.07449	0.4
248.08315	0.9
249.08989	0.7
249.11240	1.4
250.48773	0.2
251.10521	0.4
253.08508	0.3
253.12204	0.8
255.10155	1.5
262.09872	0.3
263.10620	1.4
265.08490	0.5
267.10233	0.3
280.10858	0.2
281.11630	1.1
283.13132	0.3
285.11218	0.4
285.14871	0.3
287.12747	0.3
291.10059	1.0
295.13202	1.3
299.12589	0.3
309.11197	0.3
313.14301	13.4
323.12762	0.9
341.13788	11.1
341.17917	0.4
355.15329	1.8
373.16391	14.5
375.17950	0.3
381.16953	1.8
399.17957	4.6
523.22809	0.7
531.43030	0.2
535.22607	0.5
630.02917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.1
55.01860	1.2
60.46835	0.1
65.03925	0.8
67.01830	0.2
67.05492	1.5
68.99774	1.6
69.03413	0.2
71.50398	0.1
81.03379	0.1
83.04962	1.1
85.02861	0.4
91.05457	0.9
92.09344	0.3
93.03376	1.2
95.04945	2.9
97.02869	0.5
97.92420	0.1
99.04445	0.2
105.03389	0.2
105.07001	0.2
105.95229	0.1
107.04917	0.2
111.00774	0.2
111.04412	2.0
115.05439	0.6
119.04904	4.9
121.02859	0.5
123.04398	51.7
124.04757	0.4
127.03865	1.3
133.06451	0.7
135.04395	1.0
137.02293	0.6
137.05968	0.6
139.03873	100.0
140.04167	0.6
143.04895	2.1
145.06467	0.1
147.04378	18.6
149.05971	0.4
151.03883	2.1
151.07445	0.2
153.05449	0.8
159.04358	0.2
161.05939	7.3
163.03860	1.8
163.07520	0.2
165.05424	10.6
169.04941	1.0
177.05382	0.8
179.06996	3.0
181.04924	0.7
189.05457	2.0
199.11137	0.2
203.07018	0.2
205.08556	0.3
207.06477	6.3
213.05470	0.1
231.06354	0.2
249.07571	0.6
261.11246	0.1
273.07452	1.6
291.08554	27.9
292.08896	0.2
324.31601	0.1
349.02643	0.1
571.66223	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	750.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90567	0.4
53.03941	0.5
54.39638	0.3
54.81855	0.4
55.01876	0.5
55.05491	0.4
56.17707	0.3
65.03609	0.4
65.03927	8.6
67.05485	0.7
69.03425	0.7
78.04680	0.6
79.05476	2.5
81.03370	0.6
81.07037	0.6
82.04172	0.9
82.06915	0.3
85.02876	2.3
91.05473	4.7
93.03381	3.7
93.07027	0.4
94.04156	0.8
95.01289	0.8
95.04932	2.4
103.05448	2.2
105.06985	3.8
107.04948	4.1
107.70293	0.4
109.06516	0.8
110.03648	10.5
111.04421	18.2
111.05161	0.9
115.05443	2.4
117.06989	2.4
119.04919	4.5
119.08511	0.5
121.06470	0.8
122.03621	4.9
123.04393	2.4
124.05190	0.5
125.05961	14.6
128.06200	0.8
129.06981	2.9
131.04887	5.8
131.08549	1.9
133.02824	3.4
133.06470	3.5
135.04391	0.6
135.08035	0.7
136.05174	0.9
137.05952	100.0
138.03078	0.7
138.06279	0.9
141.06946	1.9
141.80450	0.4
143.04958	0.6
144.05666	1.0
145.06456	2.7
147.04414	4.0
147.08073	1.0
149.05972	1.7
149.09576	0.5
151.03873	0.4
151.07513	6.7
152.04669	0.6
153.05443	48.6
155.05989	0.5
157.06465	2.5
159.08031	2.6
160.05159	0.7
161.05966	6.8
162.06711	0.9
163.07516	6.8
165.05388	0.5
165.09068	0.4
166.07556	0.5
167.06996	48.3
169.06418	0.9
170.07262	0.5
171.08034	0.9
172.05267	0.4
173.05997	0.9
173.09589	0.5
174.06712	2.1
175.07506	7.3
176.08273	0.5
177.05463	0.6
177.09094	1.6
179.07034	3.3
181.08600	1.7
186.06744	0.5
187.07507	6.3
189.09068	5.6
191.06996	1.5
191.10617	0.8
192.07748	0.4
193.08485	3.8
195.08002	0.7
199.07535	0.6
201.05440	0.4
201.09052	2.4
203.10687	1.8
205.08557	2.5
207.08084	0.9
210.06738	0.5
211.07448	0.7
213.09178	0.7
219.08122	0.8
219.10106	7.2
221.09662	0.6
225.08943	0.8
227.10594	0.5
231.07948	0.9
231.10081	0.8
235.07503	0.4
237.09023	1.0
237.11249	0.5
239.10634	0.5
242.09306	0.5
248.08157	0.6
249.11208	1.8
253.08510	0.7
253.12221	0.8
255.10170	1.6
258.49860	0.5
263.10562	1.5
281.11749	0.8
291.10147	0.7
295.13290	0.9
297.11310	0.5
299.74097	0.5
309.11148	0.7
313.10791	0.9
313.14249	13.8
323.12506	0.6
341.13770	13.2
349.14639	0.4
355.15396	0.8
359.14700	1.0
373.16397	21.0
375.18115	1.7
381.16675	1.7
399.18039	4.6
505.22025	0.7
523.23303	0.8
535.23047	0.9
671.74384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01862	0.5
55.05502	2.2
57.03426	2.6
61.02916	7.1
67.05495	6.7
69.03418	4.8
69.07068	1.0
71.01357	0.6
71.04974	0.4
73.02905	6.0
79.05473	5.3
81.03404	3.6
81.07039	6.7
83.08633	0.9
85.02892	8.0
86.09716	0.9
87.04454	0.5
91.03941	3.8
91.04991	0.5
91.05459	4.4
93.07009	5.1
95.04961	1.9
95.08571	4.8
97.02861	5.6
97.06515	0.5
99.04441	1.0
101.02382	2.5
105.07015	3.9
107.08603	2.6
109.02896	0.5
109.06570	0.4
109.10136	1.8
119.08582	2.7
121.10120	2.9
125.00022	0.5
127.03911	1.9
127.12050	0.4
131.08574	0.8
133.10146	2.2
135.11723	1.6
145.10104	0.7
145.74304	0.4
146.90259	0.4
147.11691	0.9
149.09717	0.4
157.10153	0.9
166.49768	0.4
184.07272	3.4
203.05208	0.4
243.08453	2.3
251.12631	0.5
294.22687	0.4
305.29855	0.4
307.15231	0.4
335.25909	0.9
469.20499	4.3
485.13721	0.4
485.40073	0.4
519.29333	8.6
747.42773	100.0
748.43024	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65321	0.7
54.82587	1.1
55.01864	4.7
55.05503	7.3
57.07064	12.4
59.04994	0.8
67.05486	8.2
69.07059	7.9
71.04955	0.9
71.08601	5.9
79.05467	7.0
81.05266	0.7
81.07040	32.0
83.04970	3.5
83.08597	4.3
85.10173	1.7
91.05458	4.6
93.07030	11.5
94.96600	0.8
95.04934	1.9
95.08582	16.1
97.06556	1.1
97.10049	0.9
105.07018	10.0
107.08569	8.8
109.06493	10.5
109.10136	6.4
111.03727	1.2
111.04428	13.5
111.08102	1.2
117.06998	1.6
119.08584	6.7
121.06479	0.9
121.10151	5.9
123.08060	1.8
123.11712	1.5
125.05971	4.8
131.08542	4.2
133.10129	8.7
135.08067	3.7
135.11647	7.4
137.05959	100.0
137.09601	1.4
145.10092	5.3
147.08073	1.1
147.11642	6.3
149.09576	5.1
149.13280	0.9
151.07524	2.1
151.11143	1.3
157.10130	3.6
159.11659	3.2
161.09641	5.9
161.13170	1.9
163.11105	3.5
165.09108	1.3
171.11650	1.2
173.13239	1.2
175.11134	5.7
175.14828	1.3
179.10670	1.2
189.79366	0.9
193.12045	1.2
203.17979	7.1
213.16406	1.6
221.18967	1.7
231.17400	5.9
241.15855	1.0
249.18509	4.7
256.75049	0.8
277.17914	22.2
282.27762	0.9
295.18918	7.7
313.27301	9.0
320.22174	5.9
351.21628	5.6
454.29160	1.3
589.44537	54.8
590.45172	1.4
607.45496	17.3
730.45758	4.4
748.47223	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
53.06717	0.4
55.01880	0.7
55.96778	0.5
57.50184	0.4
59.04979	3.3
62.56630	0.4
65.63287	0.4
67.05470	0.9
69.03416	2.7
69.07049	3.5
70.05070	0.4
79.05490	3.8
80.46839	0.4
81.03380	0.8
81.07040	2.0
85.02896	8.0
91.05463	3.9
93.07020	2.1
95.04946	12.0
95.08550	0.7
97.02881	2.6
100.11224	1.0
102.61677	0.5
103.05421	1.1
105.04533	0.6
105.07003	6.2
107.04942	19.7
109.02842	0.7
115.05429	1.2
117.06998	3.4
119.04908	0.7
121.06474	2.4
123.04419	16.1
124.05195	2.2
125.05943	2.2
128.06171	2.1
129.06969	1.1
130.07770	4.8
131.08566	1.2
133.06503	1.0
135.04398	0.7
135.08037	3.3
135.08995	0.5
137.05969	5.8
137.38148	0.6
139.07483	0.7
140.04640	4.3
141.06943	0.5
143.08553	10.7
144.05627	0.7
145.04999	0.8
145.06442	1.9
145.10109	40.7
145.65305	0.6
147.04349	0.7
147.08040	1.9
149.05965	1.1
151.03955	0.7
152.04718	1.0
153.06993	0.7
155.07008	8.3
155.08527	8.7
158.07248	34.0
159.07974	3.3
159.11789	0.6
161.05916	3.1
163.03860	0.6
163.07555	3.9
163.11090	0.6
166.06190	1.9
167.07013	63.7
168.07266	0.8
171.08022	3.1
173.09587	77.2
174.09848	0.6
175.07533	4.7
177.09116	0.8
178.06239	2.9
180.07686	0.9
181.04935	3.8
181.08560	17.5
182.17986	0.6
183.06541	8.9
183.09166	4.0
186.06708	8.3
187.07433	0.6
189.09061	2.4
191.10617	2.4
192.07791	5.2
193.08595	4.8
195.06543	0.9
195.10143	5.9
199.07707	0.5
201.09087	100.0
202.09421	0.8
203.06960	0.7
207.10149	2.6
218.00288	0.6
218.09351	2.1
219.10124	5.6
223.13261	2.2
233.11694	64.6
236.10587	0.6
251.12729	55.3
265.55984	0.6
336.14636	0.6
387.18073	6.5
405.18814	3.7
480.46744	0.6
589.64301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01868	0.5
55.05502	2.3
57.03432	2.8
61.02912	6.9
67.05491	5.8
69.03412	3.3
69.06695	0.3
69.07063	1.6
70.34648	0.3
71.01355	0.3
71.04990	0.8
73.02897	4.6
79.05477	4.8
79.22010	0.3
81.03409	4.3
81.07043	5.4
83.08608	1.7
85.02890	7.6
91.03936	3.4
91.05457	4.6
93.07018	5.4
95.04970	2.1
95.08578	3.3
97.02866	5.1
97.06498	0.3
99.04446	0.7
101.02394	2.0
102.38800	0.3
103.03927	0.5
103.46446	0.3
105.07037	2.9
107.04958	0.4
107.08580	2.4
109.02871	0.6
109.06492	0.7
109.10159	1.6
111.08088	0.7
115.03946	0.4
117.06999	0.5
119.08544	2.6
121.06524	0.4
121.10149	2.0
123.11590	0.5
127.03934	1.5
129.06973	0.5
131.08574	1.6
133.10147	1.5
135.11757	0.8
145.05037	0.4
145.10164	1.5
147.11699	1.4
149.09625	0.6
157.10123	0.8
159.11630	0.4
175.11180	0.7
184.07396	1.5
185.04300	0.6
193.12262	0.8
200.38127	0.3
211.13232	0.4
243.08392	1.8
251.12576	0.6
259.07852	0.4
335.25732	0.5
468.56973	0.3
469.20319	9.9
508.87744	0.4
519.29327	4.8
566.32117	0.4
747.42737	100.0
748.43048	4.8
765.09033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03424	2.5
57.07070	1.5
57.41143	1.2
58.66636	1.4
61.02918	3.6
61.90470	1.2
67.05506	12.9
69.03419	2.6
69.07046	1.9
73.02909	2.5
79.05487	10.0
81.03412	8.1
81.07034	15.4
83.08614	2.3
84.09523	1.4
85.02900	3.5
91.03937	2.1
91.05464	6.1
93.07024	12.1
94.07417	1.7
95.04949	5.7
95.08601	9.3
97.02865	6.1
101.02318	1.8
105.07015	10.6
107.04994	1.4
107.08597	7.5
109.06485	1.9
109.10150	5.9
117.06979	2.0
119.08584	6.2
121.10135	2.9
131.28108	1.4
133.10110	3.2
135.11707	5.6
145.10138	2.2
147.11694	2.2
148.08488	1.5
150.74913	1.4
163.11191	3.1
164.94801	1.5
194.33403	1.4
213.44560	1.4
227.12810	2.9
229.31328	1.6
243.08504	2.6
249.10950	11.3
278.14261	1.8
305.13501	2.5
454.73239	1.5
467.18869	9.6
511.23105	1.7
519.29053	5.6
542.05670	1.6
547.39624	2.2
562.58423	1.6
745.41248	100.0
746.41504	3.2
746.85492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03424	2.5
57.07070	1.5
57.41143	1.2
58.66636	1.4
61.02918	3.6
61.90470	1.2
67.05506	12.9
69.03419	2.6
69.07046	1.9
73.02909	2.5
79.05487	10.0
81.03412	8.1
81.07034	15.4
83.08614	2.3
84.09523	1.4
85.02900	3.5
91.03937	2.1
91.05464	6.1
93.07024	12.1
94.07417	1.7
95.04949	5.7
95.08601	9.3
97.02865	6.1
101.02318	1.8
105.07015	10.6
107.04994	1.4
107.08597	7.5
109.06485	1.9
109.10150	5.9
117.06979	2.0
119.08584	6.2
121.10135	2.9
131.28108	1.4
133.10110	3.2
135.11707	5.6
145.10138	2.2
147.11694	2.2
148.08488	1.5
150.74913	1.4
163.11191	3.1
164.94801	1.5
194.33403	1.4
213.44560	1.4
227.12810	2.9
229.31328	1.6
243.08504	2.6
249.10950	11.3
278.14261	1.8
305.13501	2.5
454.73239	1.5
467.18869	9.6
511.23105	1.7
519.29053	5.6
542.05670	1.6
547.39624	2.2
562.58423	1.6
745.41248	100.0
746.41504	3.2
746.85492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03424	2.5
57.07070	1.5
57.41143	1.2
58.66636	1.4
61.02918	3.6
61.90470	1.2
67.05506	12.9
69.03419	2.6
69.07046	1.9
73.02909	2.5
79.05487	10.0
81.03412	8.1
81.07034	15.4
83.08614	2.3
84.09523	1.4
85.02900	3.5
91.03937	2.1
91.05464	6.1
93.07024	12.1
94.07417	1.7
95.04949	5.7
95.08601	9.3
97.02865	6.1
101.02318	1.8
105.07015	10.6
107.04994	1.4
107.08597	7.5
109.06485	1.9
109.10150	5.9
117.06979	2.0
119.08584	6.2
121.10135	2.9
131.28108	1.4
133.10110	3.2
135.11707	5.6
145.10138	2.2
147.11694	2.2
148.08488	1.5
150.74913	1.4
163.11191	3.1
164.94801	1.5
194.33403	1.4
213.44560	1.4
227.12810	2.9
229.31328	1.6
243.08504	2.6
249.10950	11.3
278.14261	1.8
305.13501	2.5
454.73239	1.5
467.18869	9.6
511.23105	1.7
519.29053	5.6
542.05670	1.6
547.39624	2.2
562.58423	1.6
745.41248	100.0
746.41504	3.2
746.85492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.36543	1.2
54.81838	1.7
55.05499	15.7
57.03433	10.3
57.07063	2.4
59.04996	2.7
61.02905	2.8
67.05492	100.0
67.53146	1.3
69.03412	2.9
69.07053	12.7
71.04977	26.7
79.05473	41.7
81.03413	2.5
81.07038	45.6
81.07482	2.9
83.04951	2.0
83.08594	7.4
85.02887	3.4
85.06543	2.3
91.03933	2.1
91.05466	32.9
93.06492	2.5
93.07027	51.2
93.07570	1.8
95.04947	8.9
95.08586	33.3
97.02878	1.6
97.06515	5.8
97.10166	2.9
105.07024	21.4
107.08570	28.8
109.06506	2.0
109.10135	54.9
109.10853	2.7
110.64121	1.4
111.04250	1.5
111.08083	2.4
117.07009	8.0
119.08543	28.3
121.10123	19.2
125.09519	1.5
131.08539	12.5
131.14049	1.5
133.10114	12.6
133.44775	1.5
135.08038	2.1
135.11697	17.6
137.09608	8.7
143.08507	1.4
145.10144	10.7
147.11711	6.6
149.09607	2.2
149.13251	2.1
157.10133	1.6
159.11678	6.9
161.13188	2.9
163.11195	2.6
173.11742	8.2
173.13179	2.1
175.14809	2.3
187.14861	1.5
199.14922	1.5
201.16275	1.9
204.40283	1.5
255.15804	2.1
287.18561	19.7
291.31381	1.5
293.80658	1.8
335.25757	13.0
394.23190	1.7
453.23663	1.7
471.34753	2.9
489.35648	68.8
515.37274	17.7
547.39856	59.5
548.39832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
54.74970	0.9
54.77855	0.8
55.01846	2.3
55.05501	33.6
57.03425	22.6
57.07060	5.6
57.43912	0.9
61.02894	4.4
65.03925	1.5
67.05489	73.0
69.03407	6.5
69.07053	24.5
71.04964	6.7
73.02901	0.9
74.69442	1.0
79.05473	38.7
79.44044	1.0
81.03399	64.2
81.07036	69.1
83.04962	16.9
83.08597	35.0
85.02418	1.7
85.02887	29.8
85.06487	1.7
91.05454	41.2
93.07021	38.6
95.04945	26.3
95.08580	48.5
97.02857	5.1
97.06541	7.2
97.10145	7.1
99.04391	1.1
100.66936	1.0
105.07009	31.5
106.07344	1.3
107.04929	5.6
107.08575	18.8
109.06507	7.5
109.10140	23.4
111.08062	10.3
113.05985	1.3
115.05402	1.2
117.07003	4.6
119.08561	26.8
121.06461	1.2
121.10123	19.1
123.08027	4.4
123.11668	6.8
125.09596	3.8
129.06982	13.8
131.08539	12.6
133.06508	2.3
133.10100	19.7
135.08061	1.4
135.11642	5.0
137.09589	2.5
137.13228	2.2
142.07771	2.5
143.08527	1.7
145.10114	6.0
147.08006	1.8
147.11642	17.3
149.09587	8.4
149.13210	1.9
151.23842	1.0
157.10068	13.0
159.11568	1.6
161.13246	1.9
165.12695	4.0
175.11169	18.2
175.14731	1.4
193.12219	33.4
211.13252	45.2
220.43808	1.0
263.23679	1.8
267.15866	14.3
285.16910	53.1
285.20044	1.9
327.23431	1.2
337.27280	52.4
505.38510	4.4
519.85455	1.2
529.38824	12.4
547.39807	100.0
548.39532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
53.03945	6.0
54.35829	1.0
55.01855	4.6
55.05263	2.0
55.05508	29.1
57.03431	24.9
57.07062	2.4
57.23448	1.1
58.21333	1.1
61.02921	6.8
61.85931	1.2
65.03922	1.9
67.05491	74.7
67.36867	1.1
69.03423	6.2
69.07056	23.1
71.04977	6.8
71.08606	1.8
73.02906	1.3
75.23300	1.2
79.05476	35.4
81.03401	64.6
81.07039	81.9
83.04967	21.4
83.08608	29.7
85.02888	34.9
85.06541	1.7
85.10174	1.3
87.08148	1.1
91.03961	1.4
91.05466	44.8
93.07024	34.6
93.07572	2.1
95.04948	27.9
95.08585	52.4
96.21799	1.1
97.02872	5.4
97.06499	8.9
97.10140	8.5
99.08077	1.6
105.06342	1.3
105.07009	34.6
107.04960	6.9
107.08574	20.6
109.06516	5.8
109.10128	20.7
111.04430	2.4
111.08031	8.7
112.26997	1.2
113.05993	2.0
115.05430	1.7
117.07022	5.1
119.08557	25.2
121.10129	18.7
123.08051	2.9
123.11691	7.1
125.09570	1.9
129.06961	14.5
131.08551	17.2
133.06497	4.9
133.10085	22.5
135.11687	6.8
137.09613	5.3
142.07767	2.7
143.08633	1.4
145.10150	7.5
147.08014	2.4
147.11653	17.2
149.09608	8.3
149.13266	2.8
157.10092	13.8
159.11684	2.0
161.09602	1.4
161.13223	2.5
165.12790	2.5
175.11165	13.2
193.12213	35.4
198.60918	1.2
211.13264	43.1
218.97430	1.6
239.36118	1.2
263.23483	1.7
267.15915	9.8
285.16919	55.3
337.27319	55.9
489.35632	2.2
529.38806	13.4
547.39838	100.0
548.40283	5.7
637.64862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01858	2.0
55.05505	24.7
57.03433	14.7
59.29927	1.3
61.02903	2.1
64.33997	1.2
64.48902	1.2
67.05145	2.0
67.05491	49.2
69.03406	4.8
69.07056	15.6
71.04974	5.4
74.00033	1.2
79.05474	40.2
81.03400	52.2
81.07039	54.8
83.04962	19.0
83.08600	22.3
85.02879	22.2
85.06481	1.4
89.37475	1.1
91.05463	36.6
92.09298	2.5
92.70649	1.4
93.07021	41.2
94.07346	1.4
95.04945	25.5
95.08588	34.8
97.02892	2.1
97.06525	5.4
97.10150	5.1
100.50795	1.3
103.05464	1.5
105.07010	30.6
107.04922	2.6
107.08584	24.3
109.06492	5.0
109.10138	10.4
111.04452	1.8
111.08064	10.6
113.05965	1.2
117.06978	2.4
119.08549	25.7
121.10116	18.5
123.08043	2.5
123.11663	2.3
125.09560	1.8
129.07025	12.2
131.08511	16.0
133.06444	1.8
133.10118	15.4
135.11652	9.4
136.28462	1.3
137.09586	1.9
142.07710	1.6
145.10089	10.2
147.08015	4.8
147.11621	15.2
149.09598	6.9
149.13222	2.5
155.08629	1.5
157.10118	12.0
159.11678	5.5
161.13162	1.9
163.11172	1.7
165.12706	2.0
173.13208	2.3
175.11108	9.9
179.98817	1.4
193.12181	32.0
211.13257	40.9
231.68045	1.4
237.10927	1.6
261.22095	5.1
267.15836	6.6
285.16895	31.4
335.25751	40.3
503.37149	2.4
527.36975	6.6
530.78949	1.5
545.38257	100.0
546.38733	2.3
561.58691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
54.82254	1.0
55.01853	4.9
55.05506	33.8
55.99264	0.9
57.03174	1.5
57.03428	27.4
59.05019	1.2
61.02907	7.6
62.60090	1.0
65.03902	1.6
67.05493	72.6
69.03401	7.0
69.07057	20.6
71.04972	7.5
73.02907	1.3
76.47412	1.1
79.05473	60.8
81.03398	74.6
81.07038	74.7
83.04972	22.7
83.08602	25.8
85.02891	34.8
85.06542	2.4
91.03931	1.2
91.05463	55.7
93.07020	55.7
93.07462	1.1
95.04944	33.1
95.08588	47.7
97.02883	7.4
97.06496	4.9
97.10136	7.8
97.98683	1.1
99.08044	1.1
105.07011	40.7
107.04957	8.5
107.08581	24.0
108.06667	1.2
109.06492	6.9
109.10137	11.7
111.04443	2.6
111.08053	10.0
113.05965	1.6
115.05404	1.8
117.06992	5.3
119.08565	30.4
121.06535	1.9
121.10130	23.3
123.08059	1.8
123.11637	2.9
125.09620	1.3
129.06979	15.6
131.08536	22.9
133.06438	2.1
133.10112	20.9
135.11650	8.0
137.09589	2.3
142.07779	2.0
145.10091	7.6
147.07986	2.3
147.11664	17.3
149.09612	6.2
149.13254	5.0
151.11174	1.3
157.10143	15.2
157.79576	1.2
159.11618	1.8
161.13181	1.8
163.11092	1.9
165.12714	1.4
173.13222	1.8
175.11153	13.9
185.91302	1.6
193.10475	2.1
193.12227	45.9
209.81282	1.2
211.13246	48.7
228.83987	1.1
243.21031	1.3
261.22061	6.9
267.15887	11.5
285.16888	59.3
285.20026	2.1
335.25729	66.4
453.33020	1.6
471.34973	1.6
527.37146	13.8
545.38300	100.0
546.38727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14513	2.1
53.03936	2.1
55.01860	3.0
55.02441	1.9
55.05507	23.5
57.03434	22.4
59.21826	1.7
61.02917	2.9
64.85133	1.9
65.03903	2.1
67.05500	60.7
69.03430	3.0
69.07057	17.5
71.04969	3.8
73.02915	2.4
79.05476	58.4
81.03403	44.1
81.07043	70.9
83.04982	11.5
83.08630	15.2
85.02885	20.5
85.06543	4.1
91.05469	54.2
92.08656	3.6
93.07033	55.2
93.07567	3.1
95.04968	24.2
95.08589	48.9
97.02849	3.6
97.06516	2.7
97.10126	4.4
105.07029	34.8
107.04938	4.5
107.08602	25.6
109.06546	4.8
109.10169	20.2
111.08040	4.5
113.09702	2.5
115.05473	2.1
117.07043	7.3
119.08585	30.1
121.10120	30.4
123.08098	3.5
123.11669	2.5
129.06947	14.8
131.08556	20.8
132.99800	2.2
133.10114	22.9
135.11728	8.7
143.08517	2.8
145.10130	13.9
147.11661	22.6
149.09636	11.2
149.13272	4.0
156.85304	2.0
157.10118	12.5
159.11684	4.0
161.13240	4.3
164.28587	2.2
165.12762	3.5
169.20439	2.1
175.11256	15.2
184.43344	2.4
192.47237	1.9
193.12178	30.4
204.77161	2.2
207.80661	2.1
211.13287	21.4
233.77794	2.1
238.38519	2.1
243.21173	2.4
261.22226	4.6
265.90634	2.4
267.15921	13.7
285.16937	33.5
335.25754	64.4
385.90033	2.3
527.37384	19.6
545.38336	100.0
590.04950	2.1
695.69562	2.4
758.68225	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76306	1.1
53.00318	1.5
53.03941	5.1
53.26164	1.0
54.81595	1.1
55.01865	2.6
55.05506	21.6
57.03430	15.3
57.07068	2.0
61.02936	2.0
65.03944	1.8
67.05498	47.9
69.03419	6.3
69.07056	15.8
71.04992	5.0
77.41136	1.2
79.05480	44.6
80.26748	1.1
81.03405	47.4
81.04453	1.2
81.07042	53.7
82.07388	1.2
83.04970	12.7
83.08623	18.3
85.02890	22.5
85.06541	2.3
88.71964	1.3
91.05468	36.5
93.07030	48.4
94.07376	2.0
95.04961	23.3
95.08596	41.5
97.02876	2.8
97.06529	7.4
97.10157	5.5
105.07015	29.2
107.04945	3.1
107.08588	28.5
108.08923	1.3
109.06504	5.8
109.10143	14.7
111.04433	2.3
111.08094	7.6
115.05437	2.0
117.07001	7.0
119.08575	28.2
121.06528	2.2
121.10111	21.3
123.08083	2.6
123.11713	5.1
125.09669	1.9
127.48232	1.3
129.07042	9.9
131.08554	17.4
133.06503	1.9
133.10103	11.3
135.11691	9.7
142.07767	1.8
145.10139	7.9
147.08052	1.6
147.11674	16.1
149.09607	6.9
149.13234	2.7
151.11214	1.4
157.10101	10.3
159.11720	5.0
161.13248	2.7
163.11118	2.5
164.11420	1.2
165.12767	1.9
175.11156	10.9
177.63951	1.2
193.12202	26.9
211.13264	27.8
217.25328	1.3
227.12759	3.0
243.21127	1.9
260.24359	1.3
261.22171	4.8
267.15964	5.8
280.34799	1.5
285.16986	30.7
317.99472	1.3
335.25766	54.5
335.29791	2.3
420.21231	1.4
452.25241	1.4
527.37311	9.6
544.37360	1.9
545.38306	100.0
753.93091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.5
57.03411	1.4
65.14344	0.5
67.01837	0.9
68.54910	0.5
69.03406	2.6
70.02931	2.9
73.02885	4.4
76.03991	1.4
82.20461	0.6
83.06091	7.1
84.04491	17.1
85.02923	2.3
87.54894	0.7
97.02863	1.5
97.69854	0.5
98.06052	0.7
98.97560	0.6
99.05578	1.4
102.77084	0.7
105.07051	0.8
106.06525	0.6
108.04430	0.6
109.07600	1.5
111.04471	0.9
112.03938	8.8
113.02347	1.5
116.01641	1.4
119.04936	0.9
119.08546	0.8
121.02802	1.1
121.15688	0.6
123.04443	1.3
127.03848	0.8
127.04970	0.6
129.06554	10.2
130.04977	21.6
135.43724	0.6
136.02092	0.6
139.03873	3.1
145.06056	6.2
147.04382	1.3
148.05157	2.8
149.00522	12.3
149.02283	1.3
153.01807	100.0
153.06548	4.4
155.01556	7.4
155.08109	2.9
156.56575	0.7
156.99529	2.5
162.03645	1.0
162.05496	4.8
163.02113	5.8
164.01561	0.7
165.00043	5.3
165.01695	1.0
167.01582	6.8
167.02863	0.6
171.02934	1.1
175.06255	1.4
177.03290	0.7
179.01617	7.2
180.99577	1.4
181.01402	1.2
181.03134	6.0
182.02666	1.4
183.01083	2.6
191.01602	1.1
194.02666	16.5
194.04446	4.4
195.01208	1.1
195.02895	4.7
199.07158	3.2
207.01077	3.4
208.04274	10.5
208.06013	1.7
209.02641	4.3
209.81412	0.7
211.07115	0.8
219.01004	1.4
226.05298	1.4
230.03035	0.7
233.02615	0.9
243.01025	3.5
251.04767	1.1
252.03241	0.7
261.02145	4.4
269.02679	0.7
271.00528	11.1
271.05807	1.0
279.03079	1.4
282.05136	3.6
283.06039	3.4
284.03204	1.4
284.06415	3.7
285.07333	1.0
287.05527	0.8
289.01581	2.9
295.06018	1.2
297.02249	0.7
297.05237	17.9
298.99951	4.1
307.02548	2.5
311.06903	24.2
312.05353	0.9
313.07056	8.5
314.07394	3.9
315.03015	5.7
317.01065	23.7
319.02655	1.5
329.07965	2.8
337.06885	1.3
342.04172	2.4
343.02686	5.7
343.07022	0.6
361.03699	3.8
378.06396	5.3
383.08984	4.0
397.08975	1.4
433.10941	0.8
446.05157	5.0
458.12048	1.5
463.07706	3.6
464.06418	3.9
481.09055	28.5
535.10016	15.3
580.17554	0.8
594.28406	0.7
595.15942	0.9
596.16510	2.5
610.13263	24.4
742.20959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.9
56.05036	0.6
57.03428	1.2
59.09956	0.5
67.01840	1.0
68.65142	0.5
68.99767	1.0
69.03415	1.2
73.02892	3.1
76.03959	0.9
79.29619	0.6
81.03443	0.7
83.06085	9.4
84.04489	23.1
92.27142	0.6
97.02856	1.3
98.81119	0.7
107.04961	0.7
111.04419	0.7
112.03944	15.2
121.33827	0.6
123.04411	0.6
127.02110	2.6
127.03912	2.4
129.06584	14.6
130.04982	38.7
135.02647	2.3
137.02365	1.0
139.03917	1.1
146.78470	0.6
147.04428	1.4
149.00514	2.3
149.02310	4.0
151.02107	0.7
153.01813	100.0
153.06578	2.4
154.02228	1.0
155.01572	10.7
159.94983	0.6
163.02104	3.1
165.00125	0.7
165.01830	0.6
167.01611	1.0
167.03362	2.4
170.04449	3.1
171.02869	4.0
176.29790	0.6
179.01588	35.1
179.03175	1.6
180.99548	4.5
181.01239	1.0
183.01097	6.6
183.02716	1.6
189.00139	2.8
191.01613	2.7
195.02840	13.7
203.77565	0.7
207.01117	1.3
208.05981	0.7
209.02660	2.8
216.99542	3.6
219.01132	0.6
231.01038	5.6
233.02580	0.8
234.70903	0.6
235.00679	0.8
259.00555	3.2
261.01999	4.1
262.63263	0.6
269.02618	2.4
283.05893	1.2
284.03244	5.5
284.06067	1.1
287.03635	2.5
289.01395	4.0
297.02118	4.0
312.05353	1.0
313.07089	1.3
315.03204	4.7
317.01111	10.0
319.02466	1.1
325.01529	1.0
329.07883	0.9
335.02216	1.4
343.02643	7.7
361.03699	3.3
378.06128	4.4
406.06094	0.7
446.05466	4.3
464.06357	5.7
481.09073	32.8
511.33917	0.6
535.10083	11.6
592.11749	0.8
593.10278	0.9
610.03888	1.3
610.13269	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.1
53.03942	2.7
55.01864	14.7
55.05505	42.8
57.03428	28.6
57.07064	6.0
57.13324	1.1
57.25593	1.1
59.04984	2.6
61.02909	12.3
65.03915	2.3
67.05494	88.8
69.03410	6.5
69.07058	21.1
71.01337	1.6
71.04984	9.1
73.02905	1.9
77.95280	1.0
78.01949	1.1
79.05476	77.2
81.03410	15.5
81.07039	100.0
83.01331	15.6
83.04974	21.8
83.08607	23.4
85.02888	14.5
85.06515	2.0
87.04433	1.5
91.03946	2.5
91.05460	47.5
93.07024	99.6
95.04947	21.5
95.08587	62.6
97.02888	7.4
97.06516	10.5
97.10176	6.2
99.04419	5.2
103.05461	2.8
105.07014	44.5
107.04951	10.0
107.08578	52.1
109.06516	14.8
109.10147	23.9
110.44546	1.4
110.79246	1.2
111.04453	2.2
111.08078	2.4
115.05478	1.3
117.07005	22.9
119.08570	25.1
121.06496	7.5
121.10114	32.3
123.08049	14.1
123.11679	5.0
124.45235	1.3
125.05999	2.1
125.09621	3.0
129.06999	6.5
130.07689	1.5
131.08533	21.1
133.10109	15.4
135.08029	5.1
135.11661	29.2
137.09598	4.7
137.13182	1.2
143.08542	2.4
145.10110	31.9
147.08054	2.0
147.11694	8.6
149.09567	5.6
149.13231	10.6
149.63602	1.2
153.12688	2.6
155.08510	5.0
157.10040	1.4
159.11656	11.4
161.13255	5.5
163.11154	26.9
163.14772	1.7
173.09589	5.8
173.13231	7.7
175.14786	1.9
177.16373	1.9
181.12204	2.1
184.07283	1.9
185.13185	1.3
187.14832	1.8
191.10608	1.5
201.16405	2.3
209.11656	4.9
227.12683	8.7
243.21107	1.6
261.22043	14.3
267.16052	1.5
283.15350	78.1
299.23624	2.7
317.24792	2.7
335.25732	90.9
361.26422	1.2
451.31998	2.4
525.36011	2.8
543.36719	78.6
561.37585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.0
53.03937	3.6
55.01866	6.2
55.05266	1.3
55.05509	22.6
57.03431	14.2
57.07075	3.7
61.02893	0.9
65.03923	1.5
67.05140	2.0
67.05495	57.2
69.03397	1.5
69.07056	20.1
71.04980	4.2
79.05478	59.3
81.03404	2.3
81.07040	67.1
83.04981	6.6
83.08613	11.6
85.06536	1.2
86.09691	1.4
91.05465	26.1
93.07028	82.1
95.04948	14.8
95.08587	75.8
97.02872	4.5
97.06530	7.6
97.10157	1.5
99.04448	5.8
105.07011	25.3
107.04932	10.1
107.08584	47.1
109.06512	7.3
109.10140	19.6
111.04474	1.0
111.08041	2.0
117.07018	13.1
119.08586	21.8
121.06482	7.5
121.10130	27.6
123.08067	1.5
123.11685	4.9
125.05985	3.8
128.54597	1.1
130.07832	1.4
131.08524	8.1
133.10133	9.3
135.08025	2.1
135.11673	56.4
139.07559	1.7
143.08553	2.2
143.10756	0.9
145.10110	39.4
145.11224	1.6
147.11719	5.3
149.13254	4.4
159.11703	4.1
161.13292	2.0
163.11151	61.8
163.14789	1.2
173.13260	4.5
175.14842	1.4
181.12207	11.0
184.07330	2.2
187.14766	1.6
201.16405	1.7
221.06021	1.0
227.12753	46.8
261.22174	7.7
283.15350	46.5
283.18326	2.0
317.24670	1.8
335.25748	100.0
349.48117	1.0
543.36725	80.5
740.41724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73056	0.9
53.00297	1.3
53.03934	5.6
55.01869	7.8
55.05503	29.6
57.03430	20.1
57.07064	2.5
59.04959	0.9
61.02919	1.5
63.10533	0.9
64.03098	1.0
65.03938	2.3
67.05492	64.0
68.05495	0.9
69.03420	1.6
69.07051	22.8
71.04966	7.0
73.02876	1.8
74.42835	0.9
79.05476	65.8
81.03398	3.9
81.07040	72.3
82.98961	1.0
83.04964	7.1
83.08607	18.6
85.02872	1.4
85.06522	2.2
87.40381	0.9
91.05465	32.4
93.07022	100.0
95.04951	15.8
95.08585	99.8
96.13536	1.3
97.02868	7.7
97.06513	7.5
97.10126	1.8
99.04441	6.2
102.16798	0.9
103.05423	1.5
105.04503	1.5
105.07011	28.6
105.89784	1.0
107.04945	16.6
107.08582	68.1
109.06506	6.7
109.10151	18.5
111.04411	4.6
111.08048	4.2
117.06999	19.3
119.08559	27.4
120.35996	1.1
121.06488	10.9
121.10120	40.3
123.07983	1.4
123.11671	2.4
125.05960	2.3
125.09614	1.2
130.07788	1.4
131.04884	1.4
131.08517	8.4
133.10097	13.0
135.08049	6.8
135.11671	93.2
139.07480	1.7
139.11180	1.5
143.08534	1.2
145.10106	57.0
147.11649	7.3
149.09624	1.4
149.13269	4.3
150.78368	1.2
151.11139	1.3
155.08488	1.2
159.11700	4.5
161.13260	2.5
163.11145	95.0
163.14798	1.9
173.09598	1.3
173.13324	2.5
175.14780	1.3
181.12233	14.9
184.07346	1.0
187.14856	1.8
192.62375	1.1
201.16441	1.2
209.11650	1.4
219.17322	1.1
227.12730	86.9
257.32086	1.1
261.22025	8.1
283.15350	94.6
300.02972	1.3
317.24854	2.0
335.25735	98.1
336.25858	1.6
395.91098	1.4
543.36713	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.15427	1.6
55.01866	18.5
55.05508	32.9
56.96541	1.7
57.03432	30.0
57.43873	1.8
59.04976	2.0
60.40390	1.5
64.33466	2.0
65.03927	2.1
67.05492	47.6
69.03411	7.9
69.07056	12.0
71.04979	4.7
73.02904	2.8
79.05473	39.7
81.03404	100.0
81.07043	34.8
82.04174	2.8
83.04968	32.4
83.08604	24.7
85.02897	8.3
85.76414	1.7
87.04464	1.9
90.59134	1.9
91.05465	41.2
93.07023	33.5
95.04958	43.3
95.08591	18.7
97.02869	9.6
97.06499	11.8
97.10160	13.7
98.07306	3.3
99.04436	2.3
105.07005	24.5
107.04945	18.9
107.08565	24.0
109.06507	7.8
109.10148	15.6
111.04437	11.6
111.08054	11.0
111.72531	1.7
115.05417	2.5
116.04703	10.3
117.07027	7.7
119.08566	23.7
121.02907	2.1
121.06470	8.1
121.10106	14.4
123.08066	4.1
125.09616	13.1
128.06165	2.4
129.05482	35.5
129.06985	11.9
131.08546	15.2
133.06516	3.8
133.10097	11.4
135.04399	3.0
135.08043	2.6
135.11673	9.8
137.09572	3.8
142.07755	3.1
143.07034	8.0
143.08461	2.4
145.10114	10.0
147.07990	3.4
147.11720	13.4
149.09602	8.4
153.12721	12.4
157.08554	8.1
157.10101	14.4
163.11154	8.4
165.12816	2.2
171.15634	2.0
173.11681	2.1
175.11165	9.6
181.12195	7.8
189.11224	10.7
193.12222	26.7
199.13255	4.0
201.14832	2.9
209.11781	4.2
211.13324	3.5
227.12810	24.5
229.14314	9.9
247.13298	15.1
255.15820	2.6
267.15845	67.5
268.16235	2.3
283.15332	11.1
301.16446	28.2
321.16833	2.7
349.20105	2.5
360.05597	2.3
475.26807	12.9
479.29739	3.1
493.27817	26.2
525.30426	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	740.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01868	17.5
55.05508	39.8
57.03428	28.7
57.07060	5.4
59.04977	5.8
60.08146	8.0
61.02914	12.5
65.03910	2.0
65.22871	1.3
67.05496	77.3
69.03406	6.9
69.07059	23.0
70.13821	1.3
71.01340	1.4
71.04968	8.2
71.07355	2.4
73.02881	1.6
77.03871	1.3
78.13648	1.3
79.05478	64.5
81.03414	19.2
81.07043	86.1
83.01336	18.8
83.04974	22.2
83.08605	24.0
85.02892	11.6
85.06540	2.6
86.09691	44.1
87.10027	8.3
89.37868	1.2
91.03931	2.5
91.05464	45.0
92.08646	2.7
93.07024	75.4
95.04958	19.2
95.07999	2.6
95.08588	58.7
97.02886	9.5
97.06507	6.1
97.10143	7.4
98.98453	2.4
99.04436	3.2
104.10729	2.1
105.07015	39.8
107.04948	9.7
107.08582	49.7
109.06495	14.7
109.10168	22.1
111.04433	6.2
111.08084	2.1
117.07000	20.7
119.08575	25.8
121.06495	7.3
121.10117	33.8
123.08067	12.3
123.11679	7.0
124.99998	25.4
125.09595	1.8
129.06999	5.0
130.07787	2.0
131.04898	2.6
131.08528	22.3
133.10101	14.4
135.08009	6.4
135.11679	29.1
137.09612	5.5
139.11197	2.2
143.08519	2.7
145.10118	32.3
145.60625	1.3
147.08064	3.3
147.11681	10.2
149.09540	2.0
149.13252	7.2
153.12704	2.0
155.08499	2.2
157.10042	1.5
159.08073	1.7
159.11690	5.7
161.13226	5.6
163.11157	28.4
173.09605	5.6
173.13226	6.1
175.11140	1.5
181.12227	1.9
184.07307	100.0
185.07712	16.0
186.07799	7.3
187.14793	2.0
189.11185	1.7
201.16455	1.6
209.11662	7.2
219.17465	1.6
227.12650	7.3
240.00359	1.7
243.20946	2.4
259.20529	1.9
261.22171	11.3
283.12219	3.3
283.15353	95.9
299.23788	2.1
317.24713	2.3
334.02637	1.6
335.25732	69.2
402.67874	1.4
407.91711	1.4
433.30460	2.0
451.32330	2.3
469.33044	2.6
525.35565	2.3
543.36694	58.8
561.37762	6.5
620.42590	1.8
689.45264	9.0
690.45911	5.1
757.47644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47305	1.0
53.00293	1.2
53.03923	6.5
54.81481	1.0
55.01854	1.5
55.05501	17.8
57.03433	8.4
57.07055	4.0
61.02903	1.3
63.54677	1.0
65.03917	2.1
67.05490	54.8
67.05849	1.8
69.03424	1.2
69.07051	17.2
69.45126	1.0
71.04980	2.7
71.08579	1.1
79.05475	66.5
79.54053	1.0
81.03394	7.2
81.07037	55.9
83.04967	10.1
83.08597	6.3
85.02886	1.3
85.06538	1.3
91.05462	49.1
93.07023	64.9
95.04950	14.5
95.08589	39.2
97.06499	2.3
97.10155	4.8
103.05428	2.2
105.04535	1.5
105.07012	34.2
107.04945	4.6
107.08577	29.1
109.06505	4.5
109.10128	12.0
117.06977	8.8
119.08556	22.7
121.06475	1.8
121.10118	14.3
123.08058	2.7
129.06976	12.4
131.08563	9.5
133.10104	12.8
135.11668	8.3
143.08525	7.0
145.10095	11.1
147.08031	2.6
147.11652	18.2
149.13179	1.7
159.11641	1.8
161.09558	2.3
161.13225	7.5
171.11649	12.2
173.13194	2.7
175.11168	1.2
189.12695	2.2
207.13754	8.2
261.21994	2.6
281.17407	23.7
301.16599	1.4
302.16907	1.8
335.25775	36.0
541.38824	100.0
542.38916	2.1
643.44073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80603	0.8
62.80357	0.8
74.09705	32.6
190.07974	1.2
224.50047	0.9
225.73505	1.0
482.30893	2.0
492.72504	0.9
540.48926	0.9
720.00092	1.0
736.53229	100.0
737.53748	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	738.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78175	1.0
51.92484	1.0
53.03931	4.9
55.01872	2.1
55.05502	21.0
56.82148	1.0
57.03432	15.5
65.03925	1.6
67.05489	31.5
69.03410	7.1
69.07052	9.5
71.04971	8.6
79.05049	2.1
79.05474	36.4
80.28719	1.0
81.03394	100.0
81.07036	36.0
83.04961	22.5
83.08596	26.4
85.02889	29.4
85.06527	2.4
85.07918	1.0
88.26519	1.2
91.05457	53.1
93.07012	28.1
95.04942	34.5
95.08577	16.8
97.02856	6.0
97.06511	5.8
97.10124	6.7
101.05968	1.2
105.07011	34.0
107.04939	10.7
107.08563	13.9
109.02864	1.8
109.06509	7.6
109.10174	2.3
111.04428	1.9
111.08069	11.2
113.05994	2.8
117.07010	2.7
118.85865	1.2
119.08547	31.5
121.06490	5.1
121.10129	12.6
123.08082	4.9
125.09650	1.3
127.03891	1.8
129.06992	21.9
131.08540	19.3
133.06445	2.7
133.10112	19.0
135.08041	1.4
137.05969	3.0
137.09532	1.8
142.07758	4.3
144.95531	1.2
145.06473	1.4
145.10085	2.4
147.08031	5.0
147.11661	24.0
149.09587	9.2
157.10103	23.0
163.11104	1.4
165.12744	4.6
175.11121	19.2
189.09158	1.3
193.12206	43.4
211.13239	31.6
218.71323	1.3
229.14188	1.5
244.37099	1.3
267.15854	43.6
285.16922	17.4
355.17456	1.3
385.23911	1.7
429.21265	5.3
433.25571	2.0
458.09738	1.4
459.27353	31.7
477.28455	30.8
495.22543	2.3
495.29404	46.7
603.31708	1.7
621.32330	2.4
639.33801	18.6
657.52277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07224	0.5
54.81716	0.5
72.28709	0.5
74.09716	0.5
79.61717	0.5
81.06989	0.5
86.93691	0.5
89.03035	0.5
93.45770	0.5
105.07021	0.7
117.51245	0.5
128.14714	0.7
136.63950	0.6
145.10170	0.6
153.95554	0.5
185.04195	0.8
203.05301	0.6
238.01793	0.5
240.59436	0.5
320.25552	1.9
340.80951	0.6
341.95334	0.6
482.30823	2.5
600.91156	0.7
736.53229	100.0
737.53436	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	736.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.82094	1.1
56.69585	0.9
57.03424	1.5
57.93966	1.1
61.02918	2.2
63.90792	1.2
64.33864	1.1
69.03419	6.2
71.04982	1.6
72.76862	1.1
73.02894	1.1
79.05459	2.4
81.03397	2.5
85.02875	15.4
87.53882	1.0
91.04923	1.8
91.05450	14.8
92.08774	1.9
93.07001	1.6
95.04955	7.6
97.02867	5.5
103.05449	5.5
105.06998	5.9
107.04938	8.4
107.70081	1.3
109.02898	1.1
109.06521	1.3
115.05436	1.6
117.07005	2.5
119.04913	17.5
121.06467	10.3
122.03645	2.7
123.04442	2.4
123.08041	1.7
127.03942	2.1
129.06172	1.3
129.06938	9.2
131.04945	11.3
131.08571	2.4
133.02829	25.5
133.06467	2.7
135.04408	4.9
135.08067	2.5
136.05119	1.3
137.05952	100.0
141.06935	2.0
143.04895	1.7
145.06488	4.6
147.04417	13.2
147.08025	2.5
148.05226	2.0
149.05925	12.2
151.03883	7.0
151.07512	45.3
157.06488	7.2
159.08017	2.3
160.05209	1.8
161.05939	40.8
161.09549	8.5
162.06700	2.3
163.07495	16.4
165.05447	2.8
165.06940	1.7
165.09087	1.3
167.07158	3.2
167.08537	2.4
168.05634	1.4
169.06529	1.5
173.09366	1.1
174.06715	8.1
175.07507	24.6
177.05446	5.0
177.09096	6.9
179.07030	2.5
181.06441	2.5
185.05994	1.8
185.46666	1.1
187.07500	2.5
189.09068	31.2
191.07005	2.1
191.08539	7.8
191.10570	1.3
193.06387	4.3
194.07236	6.1
195.08037	8.9
195.09879	8.8
197.09566	1.6
201.09109	2.7
203.08739	1.5
205.06502	4.5
207.08072	5.3
207.10172	9.5
208.14542	1.1
209.05994	4.7
209.09637	2.2
210.06682	2.2
211.07518	5.4
213.09068	1.2
219.08043	15.5
219.10161	30.1
221.06020	8.9
221.09625	2.6
222.06700	4.5
223.07486	10.4
223.11090	4.6
224.08331	2.5
225.09122	13.1
226.06252	1.3
227.07010	1.8
227.10709	5.7
234.06563	1.8
235.07527	5.9
236.08316	4.9
237.08992	12.5
238.06206	2.1
238.09831	1.6
239.06915	8.0
239.10652	1.9
240.07831	5.6
241.08525	2.6
242.09175	1.3
247.07437	7.3
248.08293	6.0
249.09039	6.8
250.06259	1.5
250.09778	1.6
251.06999	10.0
251.10620	9.7
252.07759	2.3
253.08496	24.2
253.12260	2.0
254.09297	2.2
255.06366	5.3
255.10104	11.6
259.07486	1.4
264.07864	4.2
265.08514	21.8
266.09076	2.1
267.10077	7.4
268.07236	1.9
269.08023	7.1
269.11749	1.7
270.08783	8.3
277.08539	5.5
277.12201	1.5
279.10150	15.8
281.08047	1.4
281.12036	1.3
282.08734	1.9
283.09625	19.2
283.13202	6.3
285.11237	8.6
287.12820	2.7
291.10062	2.2
295.09647	4.7
296.10364	9.1
297.11139	30.0
299.12842	2.0
301.14337	1.5
309.11197	9.9
311.12796	16.0
313.14264	4.6
317.13882	5.0
323.12689	2.7
329.13745	33.2
330.14044	1.7
331.15421	11.5
335.12421	1.7
337.14401	5.3
341.13858	6.9
343.15439	5.6
355.15298	18.8
367.15250	12.3
461.19644	4.5
479.20575	32.1
491.20227	19.5
509.21780	18.5
759.79205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28630	0.6
54.68755	0.5
55.01862	1.3
56.23610	0.6
63.75543	0.6
69.03410	1.4
79.05465	1.8
81.07004	0.7
85.02885	4.4
91.05460	18.4
93.07011	2.9
94.04171	1.0
95.04951	5.4
103.05441	9.3
105.07009	6.7
107.04942	7.0
107.08548	0.8
109.02886	0.7
109.06496	1.4
115.05471	3.8
117.07027	5.5
119.04917	12.9
121.06480	7.3
122.03632	5.1
123.04420	1.0
123.08060	1.4
128.06207	1.3
129.06946	6.8
130.99059	0.8
131.04900	18.8
131.08493	1.5
132.05670	1.1
133.02818	5.7
133.06461	7.0
135.04373	1.8
135.08034	3.5
137.05952	100.0
138.06377	0.8
139.20050	0.7
141.06926	0.9
143.04887	2.8
143.08511	1.3
144.05646	1.2
145.06464	4.8
146.03532	0.7
146.07239	1.8
147.04387	9.8
147.08003	4.2
148.05128	3.3
149.05911	6.7
149.09555	1.3
150.06804	0.8
151.03873	3.4
151.07506	39.6
153.07033	1.0
157.06491	6.0
159.08022	1.8
160.05148	1.3
161.05942	58.2
161.09557	12.6
162.06656	5.0
163.07501	25.4
165.05486	1.1
165.06935	2.9
165.09158	1.5
167.07091	0.8
167.08487	1.6
171.07932	1.2
173.09555	0.8
174.06735	3.9
175.07506	32.1
177.09070	90.6
178.07759	0.8
178.09389	0.8
179.06999	3.7
179.08450	1.7
181.06429	3.5
181.08566	0.8
182.07249	0.9
185.05907	0.9
187.07529	7.2
189.09090	26.0
191.07005	2.7
191.08585	2.7
193.06445	3.7
193.08368	0.8
193.10080	0.9
194.07217	4.4
195.08022	8.3
195.10132	7.2
197.09558	1.0
199.07425	0.9
201.09073	4.1
203.08589	1.3
203.10573	1.2
205.06372	4.0
205.10115	1.0
206.07260	1.1
207.08040	3.2
207.10136	15.0
208.08841	1.3
209.05931	1.0
209.09679	2.5
210.06686	1.4
211.07483	4.5
212.08281	1.4
213.09065	0.9
217.08455	1.2
218.07114	1.2
219.08014	10.2
219.10124	34.0
220.08717	1.2
221.05966	6.0
221.09608	2.7
221.11676	9.6
222.06772	5.2
223.07420	5.8
223.11020	1.4
224.08295	2.7
225.05458	1.0
225.09114	6.0
227.06979	1.4
227.10599	1.7
231.08060	0.9
233.09541	1.6
234.06750	1.3
235.07458	4.0
236.08324	3.0
237.09039	9.2
239.06993	4.6
239.10716	1.4
240.07762	1.4
241.08484	3.8
242.09395	0.9
245.09578	0.8
247.07526	4.5
248.08257	3.9
249.09044	4.9
250.06149	1.8
250.09900	0.8
251.07077	5.1
251.10583	6.8
252.07637	1.3
253.08507	13.6
254.09296	1.7
255.06459	3.4
255.10069	3.7
261.09100	1.1
263.06873	1.6
263.10629	1.3
264.07648	2.9
265.08545	21.5
266.09164	1.8
267.10165	8.9
269.08002	3.0
269.11679	1.2
270.08786	6.3
277.08475	3.8
277.11890	0.9
278.09473	1.4
279.10077	11.3
280.10904	1.1
281.08054	1.8
281.11548	2.8
282.08829	1.6
283.09589	6.9
283.13138	3.9
285.11176	9.4
287.12573	1.6
291.10046	1.7
293.07956	1.1
293.11646	1.2
294.08786	0.9
295.09476	3.1
295.13153	0.9
296.10568	5.2
297.07782	1.1
297.11142	21.9
299.12708	4.3
305.11478	1.2
308.10342	3.0
309.11133	13.0
311.12680	13.6
313.14212	4.8
315.12244	5.3
317.13876	1.7
321.11243	1.1
322.12091	0.8
323.12720	7.0
325.14285	3.8
327.12076	1.0
329.13779	22.1
331.15356	6.8
337.14246	7.3
341.13748	10.4
343.15259	2.8
355.15335	20.3
367.15237	12.6
459.17529	1.1
461.19321	6.6
475.21005	4.3
479.20581	12.1
491.20328	4.3
493.21835	1.3
509.21457	7.9
521.21674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92736	0.2
53.03910	0.3
56.05015	0.3
60.07866	0.4
60.08151	8.6
67.05482	1.3
71.07366	4.0
79.05494	0.6
81.07024	1.5
86.09689	47.4
91.05447	0.5
93.07016	0.7
95.04945	0.4
95.08570	0.3
98.98441	3.6
104.10724	3.0
105.07001	1.4
107.08559	0.6
109.10186	0.3
119.08559	0.6
123.80982	0.3
124.99979	32.5
131.08527	0.5
133.10115	0.6
135.11638	0.3
145.10143	0.5
163.11758	0.3
184.07306	100.0
185.07611	1.2
356.83411	0.4
521.72302	0.3
730.46417	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	731.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.3
55.05509	1.8
57.03430	1.8
61.02919	6.2
61.54315	0.9
62.75974	0.9
67.05491	8.2
69.03405	1.7
69.07062	2.2
73.02898	1.6
79.05486	5.2
81.03391	1.6
81.07048	9.5
85.02905	5.6
91.03950	2.2
91.05485	4.5
91.94512	0.9
93.07030	10.5
95.08590	5.3
97.02902	5.5
101.02345	1.6
105.07027	2.5
107.08598	5.2
109.06530	1.3
109.10172	1.5
111.52637	1.1
117.07084	1.2
119.08579	2.2
121.10117	1.7
127.03905	1.5
131.08519	2.5
133.10168	1.9
135.11717	1.8
145.10109	1.4
147.11734	1.9
149.13231	1.9
150.65105	1.1
173.09644	1.1
185.04141	1.0
235.13216	1.1
239.61154	1.3
243.08527	1.7
453.20963	5.8
519.29419	7.6
731.43231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.0
55.05516	14.1
57.03436	14.1
57.07046	2.0
66.54221	1.8
67.05499	72.0
69.03423	3.8
69.07057	24.5
71.04983	3.2
79.05482	43.7
81.03413	2.3
81.07044	66.1
82.23412	1.6
83.04966	10.6
83.08631	2.7
85.02901	6.2
85.06528	6.4
86.34713	1.5
88.59477	1.3
91.05468	45.0
93.07030	41.2
94.36539	1.8
95.04959	9.6
95.08595	32.9
97.06541	2.2
99.04413	2.2
105.07019	51.1
107.03432	1.4
107.08589	47.7
109.06507	8.4
109.10153	73.6
111.08055	1.6
117.07008	6.9
119.08579	11.8
120.65645	1.7
121.10126	10.5
123.11688	15.3
127.07572	5.7
131.08641	10.7
133.10118	75.5
135.11690	8.6
143.08556	2.3
144.40442	1.8
145.10101	9.4
147.11638	2.9
149.13208	2.2
151.11183	34.7
155.30461	1.6
157.10121	2.3
159.11638	5.9
161.09634	2.0
169.12233	2.6
173.13237	1.9
253.14319	100.0
261.22125	6.3
271.15411	24.1
335.21887	2.9
335.25760	51.2
350.28543	1.9
364.34760	1.8
513.35742	8.5
531.29242	3.2
531.36713	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86426	0.1
55.05480	0.2
56.05016	0.2
57.07066	0.2
57.95599	0.1
58.06584	0.3
60.07861	0.3
60.08151	8.7
67.05483	1.0
69.07025	0.2
71.06994	0.3
71.07359	5.0
71.08586	0.2
73.12791	0.2
75.79502	0.2
77.60533	0.2
79.05451	0.4
81.03379	0.2
81.07010	0.9
83.04927	0.2
86.09689	47.4
87.10016	0.2
91.05459	0.7
93.07016	1.1
93.07562	0.2
93.66775	0.2
95.04935	0.3
95.08588	0.4
96.90289	0.1
98.98440	4.4
104.10715	3.1
105.07034	0.6
107.08569	0.8
109.10125	0.3
117.96174	0.2
119.08556	0.2
120.59200	0.2
124.99979	33.6
131.08531	0.2
135.11632	0.2
143.01044	0.7
145.10130	0.3
155.03612	0.2
163.11174	0.2
175.11189	0.2
177.30779	0.2
184.07304	100.0
185.07678	0.3
200.98552	0.2
224.45160	0.2
244.50633	0.2
249.17061	0.2
257.33679	0.2
505.38803	0.9
730.46411	11.4
731.47638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01869	7.8
57.03431	14.6
59.04982	2.0
61.02915	11.0
64.33344	0.4
69.03419	21.0
71.01341	2.4
71.04974	1.5
72.04509	0.7
73.02904	17.8
73.37157	0.3
81.03400	4.8
85.02894	100.0
85.06543	0.9
87.04456	4.6
88.22269	0.4
91.03934	6.3
97.02878	31.9
99.04430	4.7
103.03912	5.5
103.33276	0.3
109.02876	7.2
112.30636	0.3
114.05547	0.5
115.03905	12.5
123.04408	0.5
127.03899	30.3
127.07520	0.6
132.06558	2.1
133.04945	14.6
145.04945	45.8
145.08620	4.1
150.07607	1.9
163.05988	19.7
163.07355	0.8
199.06013	0.6
207.05559	0.4
216.97986	0.5
223.05971	1.6
223.11732	24.4
234.99051	0.8
240.14378	0.4
241.07198	1.1
259.08136	3.7
277.09259	0.8
295.10181	8.3
365.52295	0.4
372.18570	2.4
454.49561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.7
53.03930	1.7
55.01867	1.9
55.05259	1.2
55.05503	16.1
57.02063	0.7
57.03431	17.5
57.07055	3.8
60.81515	0.7
61.02908	3.4
61.38135	0.7
64.34015	0.9
64.57218	0.8
65.03928	1.5
67.05494	66.3
69.03404	1.3
69.07054	20.3
71.04968	4.4
72.53886	0.7
73.02903	1.0
79.05473	47.0
79.67735	0.7
81.03404	1.5
81.07040	80.8
83.04961	5.9
83.08607	13.7
85.02888	3.3
85.06524	3.9
91.03967	0.8
91.05467	23.5
93.07024	69.6
95.04939	8.3
95.08586	37.8
95.42658	0.9
97.02882	1.5
97.06524	7.6
97.10166	2.1
97.38783	0.9
103.05428	1.0
105.07014	19.5
107.08580	35.5
109.06516	3.7
109.10154	13.4
111.08078	5.4
111.11688	1.3
113.09636	1.1
114.15903	0.9
114.39523	0.8
115.05454	0.8
117.06993	8.9
119.08562	12.4
121.10123	28.6
123.08002	1.3
123.11715	1.9
131.08531	12.9
133.10118	14.3
135.08057	1.4
135.11642	9.9
142.67047	0.8
145.10094	8.1
147.08101	1.0
147.11678	7.7
149.13245	22.0
157.10214	1.2
159.11674	11.9
161.13208	1.3
163.14835	1.7
173.13174	1.9
174.62222	0.8
177.12817	3.0
187.14778	1.1
195.13786	4.6
261.22205	6.1
269.17407	38.9
288.91849	0.9
296.55112	0.9
335.25772	47.5
383.51025	0.9
416.28009	1.0
435.58664	1.0
529.38782	100.0
530.38953	1.3
547.39801	1.1
726.44025	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	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
54.44895	0.5
55.01859	3.7
55.05506	14.2
57.03428	15.2
57.92189	0.6
61.02906	0.5
65.03919	0.9
67.05493	20.9
69.03418	3.5
69.07061	5.6
69.52706	0.5
71.04969	4.5
72.81296	0.6
76.36488	0.6
79.05471	23.6
81.03399	100.0
81.06670	0.5
81.07034	21.5
83.04961	12.1
83.08601	24.6
85.02895	14.1
91.05460	27.4
93.07015	14.5
95.04949	30.2
95.08594	8.6
97.02884	4.0
97.06516	4.3
97.10136	6.7
105.07011	22.1
107.04940	9.2
107.08582	7.6
109.06515	5.7
109.10150	4.9
111.04437	1.1
111.08074	9.3
113.05983	0.8
115.05434	1.4
117.07003	3.3
119.04948	0.7
119.08559	21.2
121.06480	4.2
121.10137	9.6
123.04431	0.9
123.08054	3.6
125.09642	5.2
127.07497	0.8
128.06197	0.7
129.06976	16.9
131.04918	1.4
131.08531	12.7
133.06480	4.9
133.10095	10.1
137.05969	0.9
137.09605	2.7
141.06927	0.7
142.07762	2.9
143.08571	1.2
145.06485	5.7
145.10103	2.3
147.08073	5.5
147.11679	13.6
149.09584	8.2
153.09097	0.9
155.08449	0.7
157.10094	15.7
163.11168	1.1
165.12746	2.5
171.08020	1.4
175.11148	16.3
185.13377	0.9
185.41226	0.6
193.12207	35.3
195.11684	1.1
211.11298	1.5
211.13217	14.0
231.13898	0.8
233.15306	1.2
249.14842	1.4
255.13774	3.0
267.15854	83.5
273.14816	5.6
285.16901	11.1
349.21490	1.3
367.22617	5.4
385.23608	8.8
403.24826	1.3
405.24429	0.8
433.25763	11.1
441.26321	5.1
459.27319	60.1
460.27243	1.2
477.28348	41.7
478.28516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90977	1.2
51.86308	1.4
53.03928	2.5
55.01865	8.3
55.05512	10.6
55.68356	1.5
57.03429	8.4
57.07068	2.2
57.88883	1.5
58.64389	1.3
60.94983	1.4
61.02909	2.9
63.22965	1.4
65.03912	1.8
67.05492	64.0
68.76422	1.3
68.93591	1.6
69.03400	3.3
69.07043	14.0
71.04965	2.8
79.05476	35.1
81.03406	3.4
81.07040	63.8
81.36974	1.5
81.64686	1.5
83.04969	7.4
83.08612	5.6
85.02908	2.9
85.06522	7.0
86.29309	1.6
91.05453	42.0
92.26213	1.5
93.07028	37.3
93.98786	1.6
95.04945	11.0
95.08583	22.4
97.06541	2.9
99.04435	1.7
105.07014	43.9
107.04937	1.6
107.08575	38.8
109.06526	7.7
109.10140	71.0
109.10851	2.6
111.08063	1.9
116.46899	1.6
117.06989	2.9
119.08539	11.3
121.10110	13.5
123.07986	1.8
123.11684	13.4
127.07497	2.2
131.08524	11.7
133.10106	65.0
135.08060	2.7
135.11673	7.0
143.08493	1.8
145.10141	7.1
147.11667	3.6
149.09695	1.6
149.13232	2.2
151.11160	32.0
156.21759	1.6
159.11702	3.3
161.09569	1.6
169.12221	2.9
171.11560	1.6
199.51204	1.4
237.26019	1.6
249.10826	2.1
253.14297	100.0
261.22076	10.8
271.15338	32.3
335.25748	25.7
457.32901	1.6
513.35864	11.8
531.29309	2.1
531.36768	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65287	0.9
53.03941	4.4
53.04187	0.8
53.79012	1.0
55.01865	34.8
55.05506	45.1
56.02650	1.1
57.03179	1.9
57.03431	37.7
57.07053	7.5
59.04993	2.0
61.02922	13.1
64.87933	1.1
65.03902	1.6
67.05494	54.8
68.02621	1.1
69.03415	8.3
69.07067	16.1
70.04195	1.6
70.99609	1.1
71.01339	1.8
71.04974	5.1
73.02905	16.3
79.05478	48.4
79.05943	1.5
80.06253	1.7
81.03399	34.9
81.07036	39.2
82.04179	12.9
83.04970	24.8
83.08607	17.7
84.02095	2.2
84.05798	1.6
85.02890	11.6
85.06506	1.8
87.04469	1.2
90.69070	1.3
91.03931	1.9
91.05463	36.8
93.07022	34.3
94.04135	1.3
94.76949	1.2
95.04951	38.4
95.08597	17.0
96.05727	2.7
97.02865	10.9
97.06511	13.8
97.10146	29.5
98.07300	15.1
99.68225	1.3
101.05983	2.8
105.07020	24.7
107.04942	11.8
107.08590	25.2
108.05792	1.2
108.44337	1.3
109.02838	1.4
109.06503	9.9
109.10149	16.9
110.54491	1.1
111.04411	6.1
111.08064	7.4
115.05421	1.5
116.04694	34.5
117.07005	11.3
119.08566	17.3
121.06490	6.7
121.10114	9.6
123.08046	10.7
125.05952	1.2
125.09613	33.8
127.03867	1.3
127.11193	2.3
129.05461	83.7
129.06894	8.9
131.08553	12.0
133.06490	1.4
133.10106	12.0
135.08037	5.9
135.11639	9.1
137.09558	6.8
143.06990	18.9
143.08589	1.5
143.10675	1.4
145.10109	9.5
147.07973	1.7
147.11729	12.1
149.09595	5.1
153.09106	2.1
153.12715	2.0
157.08571	35.4
157.10109	8.0
158.05731	1.2
163.11169	13.3
164.11925	1.4
165.12714	1.2
171.06487	1.4
171.10162	13.9
173.09439	1.4
173.11722	1.9
175.11172	5.1
181.12207	2.8
185.11682	2.0
187.90553	1.1
189.11174	15.3
191.10678	2.7
193.12209	7.2
197.08217	1.7
199.13277	12.5
200.14079	4.7
203.31554	1.1
209.11752	8.6
210.12419	2.4
211.09621	1.4
211.13203	2.3
227.12743	20.3
229.14360	4.6
255.15869	2.2
265.14288	1.5
267.15912	11.5
283.15302	13.3
284.16071	1.5
293.06235	1.4
301.16418	100.0
309.76096	1.5
312.61905	1.3
355.17300	2.1
443.26331	2.8
455.26349	9.5
477.28387	1.3
492.42554	1.3
493.27734	7.2
509.27347	5.2
510.28030	6.8
527.28467	70.4
705.41785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62884	0.2
54.96209	0.2
80.91089	0.3
82.11138	0.2
88.31527	0.2
94.65852	0.2
100.11364	0.2
107.45670	0.2
128.98640	0.3
152.30574	0.3
201.00644	0.6
261.02869	1.1
279.04199	0.3
319.14502	0.3
335.67966	0.4
372.63779	0.3
381.07849	100.0
382.08273	1.6
414.52890	0.3
441.09161	0.6
513.52148	0.3
608.67889	0.3
670.74957	0.3
713.55896	0.3
736.14075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68081	1.2
51.37623	1.2
53.00287	1.9
53.03931	3.0
54.96318	1.2
55.01860	3.6
55.05502	23.8
57.03428	26.0
57.06817	2.3
57.07069	50.4
61.02901	7.5
65.03920	1.6
67.05492	37.1
69.03407	5.8
69.07050	16.3
71.04967	8.7
71.08614	30.7
73.02895	1.9
79.05474	34.6
81.03398	63.5
81.07036	54.4
83.04965	23.8
83.08605	32.7
85.02887	37.2
85.06508	5.9
85.10164	19.4
91.05464	46.4
92.08640	3.1
93.07026	39.4
95.04950	32.6
95.08585	38.3
97.02850	7.6
97.03427	1.4
97.06499	7.0
97.10151	7.4
99.04417	1.5
105.07011	40.6
107.04928	8.1
107.08566	21.4
109.06477	10.7
109.10136	21.3
111.04437	3.6
111.08057	12.8
113.90364	1.9
115.05473	1.5
117.07022	2.1
119.08564	30.4
121.06474	7.0
121.10133	15.5
123.08048	7.8
123.11672	8.3
125.03959	1.5
125.09635	2.2
129.06982	11.9
131.08559	20.0
133.06453	2.2
133.10114	19.5
135.08008	7.1
135.11636	7.0
136.34483	1.4
137.09618	3.4
142.07753	3.1
143.08537	3.4
145.10136	14.4
147.08006	3.4
147.11647	21.3
149.09601	9.8
151.11238	2.6
157.10072	21.9
159.08096	1.8
159.11612	7.5
161.09555	3.3
165.12759	2.4
175.11168	19.9
175.14751	1.9
177.12712	1.8
193.12218	39.5
201.16312	2.3
211.13261	39.5
217.15829	3.1
219.17390	1.6
249.14957	2.1
267.11383	1.7
267.15781	17.2
285.16891	58.8
313.27289	72.1
360.14056	1.5
505.38870	17.2
523.39850	100.0
524.39819	2.4
561.35565	1.6
709.72223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
53.57048	0.2
55.01865	0.5
55.18653	0.2
57.39373	0.2
65.03923	0.4
69.03412	1.5
75.22586	0.3
79.05470	1.8
81.03391	0.5
81.07029	0.5
84.22404	0.3
85.02889	1.5
91.05466	5.6
93.07008	0.7
93.68614	0.3
94.04185	2.4
95.04932	1.5
97.02871	0.4
100.87107	0.3
103.05446	4.4
105.03387	0.4
105.07005	4.4
107.04935	0.8
109.06519	0.4
110.68102	0.3
115.05418	1.3
117.06992	1.6
119.04917	5.3
121.06467	1.4
122.03617	6.4
123.04448	0.6
123.08081	0.4
128.06219	0.6
129.06985	2.5
131.04915	9.0
131.08536	0.4
133.02881	0.3
133.06477	5.9
135.04431	1.6
135.08012	2.8
136.05156	0.3
137.05960	100.0
138.06296	1.3
141.06943	0.6
144.05701	0.4
145.06464	1.8
146.03603	0.4
147.04408	4.0
147.08066	1.6
149.05968	2.6
149.09695	0.4
150.06703	0.4
151.07533	13.4
155.08464	0.3
157.06491	2.1
158.07310	0.5
159.08041	1.8
160.05270	0.7
161.05960	12.9
162.06783	2.2
163.07524	12.7
165.07002	1.4
165.09059	0.6
167.08521	1.7
169.06499	0.7
171.07967	0.4
174.06764	1.2
175.07515	13.7
177.09076	6.7
178.07910	0.5
178.09425	2.4
179.07016	0.6
179.08482	0.5
181.06406	0.8
187.07562	3.9
189.09088	6.7
191.07010	0.4
193.06464	0.5
195.08034	2.9
196.08772	0.5
198.06735	0.4
199.07489	0.4
200.08473	0.4
201.09135	2.4
203.08632	0.4
203.10585	0.5
207.08179	0.7
207.10184	0.4
210.06725	0.7
211.07579	0.5
212.08289	0.7
213.09084	1.3
218.07182	0.5
219.08116	0.5
219.10107	0.8
221.05925	1.3
221.09608	0.6
221.11702	0.6
223.07535	0.7
224.08263	1.2
225.09093	1.4
227.07074	0.7
227.10632	4.7
233.09615	0.7
237.09021	0.5
239.06728	0.4
239.10564	0.4
240.07600	0.5
247.07555	0.4
249.09036	1.3
251.10657	1.5
253.08586	2.1
253.12256	0.6
255.10182	2.9
255.12816	0.3
257.11664	0.4
261.09055	1.3
265.08560	1.3
266.08923	0.5
267.10040	2.3
277.12234	0.5
281.11786	0.6
282.08701	0.4
283.13211	3.2
285.11209	2.7
287.12750	7.3
288.13019	0.4
293.11450	0.6
297.11072	1.4
299.12744	2.0
305.11548	0.4
311.12784	4.0
313.14423	0.8
325.14255	0.8
337.14255	0.4
351.15823	6.9
363.15244	0.4
369.16919	8.6
381.16852	3.1
393.75433	0.3
415.18927	0.7
443.18521	0.5
475.21103	4.2
487.20966	1.4
493.15314	0.7
493.22156	14.8
505.22375	3.0
552.04028	0.3
618.37689	0.3
680.38342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.76067	0.2
65.40992	0.2
67.05508	0.2
68.75223	0.2
69.03413	1.0
70.46761	0.2
71.50002	0.2
79.05480	1.9
81.03382	0.4
81.07030	1.0
83.04984	0.3
85.02879	1.7
91.05465	5.6
93.07024	1.0
94.04166	2.1
95.04941	1.3
95.08577	0.4
97.02869	0.4
99.04433	0.3
103.05449	4.7
105.07007	4.6
107.04945	1.2
107.08596	0.3
107.77164	0.2
109.06491	1.2
111.04452	0.3
115.05425	1.6
117.03346	0.9
117.07005	1.5
119.04926	4.9
121.06485	1.4
121.10063	0.3
122.03615	6.1
123.04385	1.1
123.08054	0.4
127.03857	0.2
128.06216	0.4
129.06952	1.7
131.04903	7.7
131.08531	0.9
132.05690	0.4
133.02821	0.5
133.06461	4.8
135.04384	2.0
135.08029	3.0
136.05202	0.2
137.05956	100.0
138.06299	0.4
141.07014	0.9
143.04875	0.3
143.08542	0.5
144.05688	0.3
145.02835	1.6
145.06487	1.5
146.03497	0.5
147.04395	2.8
147.08054	1.2
148.05252	0.3
149.05942	2.9
150.06654	0.3
151.03825	0.3
151.07521	12.1
153.06964	0.3
157.06491	1.6
158.07285	0.3
159.08023	1.5
160.05173	1.0
161.04581	0.3
161.04924	0.3
161.05939	12.2
162.06750	1.7
163.07520	12.6
164.07899	0.3
165.06979	0.4
165.09071	1.5
167.07010	1.1
167.08511	2.3
169.06470	0.8
170.07281	0.3
171.08003	0.9
173.05911	0.3
174.06746	1.4
175.07507	14.0
177.05504	1.7
177.06827	0.3
177.09116	2.4
178.05794	0.9
178.07848	0.3
178.09399	0.5
179.07150	0.3
179.08470	0.3
181.06442	0.5
182.07231	0.4
183.07965	0.4
187.07487	3.9
188.08229	0.3
189.07446	0.3
189.09067	5.9
191.06981	0.3
191.08521	0.4
191.10728	0.4
193.06424	1.1
193.10085	0.4
195.08070	3.2
195.09805	0.3
196.08743	0.3
197.05922	0.5
199.07520	0.4
201.09062	2.5
203.10603	0.5
205.06451	0.3
205.10205	0.4
206.07227	0.3
207.08046	1.0
209.09648	0.4
210.06697	0.4
211.07544	0.5
212.08189	0.5
213.09065	1.4
215.10674	0.4
219.08020	1.1
219.10130	1.1
221.05969	1.8
221.09557	0.8
221.11578	0.3
222.06911	0.3
223.07530	1.7
224.08333	0.9
225.09085	1.4
227.07051	0.5
227.10631	4.6
232.08553	0.2
233.09584	1.4
235.07387	0.4
237.09082	1.0
238.09619	0.3
239.06966	0.3
239.10637	1.6
240.07626	0.3
249.09093	0.9
251.10585	1.2
252.07729	0.3
253.08543	1.7
253.12254	0.5
255.10056	2.8
261.09140	0.4
265.08615	0.5
265.12186	0.5
267.09995	1.7
277.08456	0.3
279.10144	0.4
281.11630	0.9
283.13174	2.8
285.11148	2.1
287.12778	7.1
291.10297	0.3
293.11624	0.6
297.11166	1.2
299.12784	2.1
301.14307	0.3
303.19531	0.3
311.12674	4.7
313.14371	1.0
319.13275	0.5
325.14386	1.4
337.14481	0.4
343.07233	0.2
351.15884	6.2
363.15884	0.4
369.16925	7.0
381.16873	3.5
415.18762	1.3
443.18283	0.5
475.21103	5.2
487.20837	0.9
493.22125	12.5
494.22586	0.3
505.22147	2.7
634.75208	0.3
660.65466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20296	0.2
52.27436	0.2
53.03930	0.5
54.82405	0.2
55.01847	0.4
55.34975	0.2
61.19711	0.2
67.70553	0.2
69.03404	1.0
69.45834	0.2
69.92252	0.2
69.97196	0.2
73.74201	0.3
79.05478	1.5
81.03381	0.4
81.07025	1.1
85.02882	1.9
89.00439	0.3
91.05465	6.0
93.07030	0.4
94.04164	2.0
95.04955	2.1
97.02853	0.3
103.05449	4.0
105.03334	0.3
105.07013	4.8
107.04923	1.1
109.06496	1.0
110.50130	0.3
112.32319	0.2
115.05457	1.6
117.06992	1.2
119.04938	4.2
121.06475	1.8
122.03619	5.6
123.04423	0.5
123.08026	0.4
128.06233	0.5
129.06989	2.1
131.04916	7.1
131.08537	0.6
132.05704	0.5
133.02803	0.6
133.06483	4.9
135.04446	1.9
135.08049	2.4
135.16841	0.3
136.05179	0.4
137.05956	100.0
138.06306	1.5
141.06990	1.0
143.04909	0.4
143.08551	0.3
145.06464	1.7
146.03647	0.3
147.04370	4.3
147.08066	0.5
149.05981	2.1
149.09612	0.3
151.07523	12.6
154.80853	0.3
157.06483	1.9
157.35883	0.2
159.08057	1.2
160.05180	1.1
161.05948	13.8
161.09663	0.3
162.06694	1.5
163.07503	10.8
165.06943	1.2
165.09079	1.2
167.07204	0.4
167.08571	1.6
169.06451	0.9
171.08025	0.4
173.05861	0.3
174.06708	1.8
175.07509	13.5
176.07875	0.4
177.05518	0.4
177.09055	6.4
178.07906	0.3
178.09404	2.0
179.07127	0.3
179.08496	0.4
181.06479	0.4
182.07225	0.3
187.07529	3.7
189.09065	5.0
191.10640	0.3
193.06470	1.0
194.07063	0.4
195.08046	2.1
195.09810	0.3
196.08784	0.5
199.07513	0.4
201.09058	2.7
203.08629	0.4
203.10625	0.4
205.10167	0.4
207.07997	0.4
207.10048	0.3
208.08879	0.3
209.09462	0.5
210.06754	0.4
211.07587	0.4
212.08263	1.2
213.09099	1.5
214.48068	0.3
215.10573	0.5
219.08125	0.8
219.10233	1.1
221.05994	1.2
221.11742	0.4
223.07555	1.3
224.08243	1.0
225.09084	1.6
227.07001	0.6
227.10620	4.3
233.09625	0.6
235.07484	0.4
237.08981	1.0
238.06317	0.3
239.10547	1.4
241.08540	0.3
241.12299	0.3
249.09036	0.5
251.10777	0.4
253.08569	2.1
253.12218	0.3
255.10077	2.5
257.11777	0.3
261.09067	0.5
261.81870	0.3
265.08545	1.8
265.11996	0.3
267.10062	1.5
275.10553	0.3
279.09918	1.1
281.11597	0.6
283.13159	2.7
285.11246	2.0
287.12741	6.6
287.15756	0.5
293.11746	0.4
297.11111	1.4
299.12762	2.3
305.11609	0.4
311.12759	4.1
313.14310	0.4
325.14194	1.0
337.14200	0.3
351.15833	5.4
363.15979	0.4
369.16931	7.6
381.16800	2.5
415.19119	0.6
475.21021	5.1
487.20932	1.4
493.22119	13.6
493.29303	0.5
505.22049	2.3
642.01123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37196	0.6
55.05502	1.3
55.51425	0.8
56.96558	17.7
67.05484	1.5
78.02847	0.7
79.05453	1.0
80.62321	0.7
81.07031	5.1
83.08600	0.8
91.05484	1.5
93.07013	1.8
95.04939	1.3
95.08595	1.7
97.06503	0.9
105.07011	1.0
107.08611	1.2
109.10162	1.8
115.00656	0.8
119.08569	1.3
121.10089	1.3
124.99110	3.2
126.44189	0.7
129.99374	3.8
131.00163	2.6
133.01756	0.9
133.10109	0.8
135.11647	1.0
141.02222	3.5
143.00150	21.0
145.10091	1.5
148.00410	9.5
149.01135	1.0
155.03807	1.4
159.03239	9.4
159.11722	1.3
161.01190	35.3
163.11162	0.9
166.01530	1.4
167.03761	1.4
171.03236	1.2
175.46202	0.8
177.04277	3.3
179.02229	8.0
184.02602	0.8
185.04849	7.4
193.05377	1.3
195.07054	0.8
197.08521	4.0
203.05864	1.6
205.82458	0.7
211.06396	20.3
225.07912	0.8
227.09514	1.4
229.07420	29.7
229.09575	1.4
243.08975	18.4
247.08432	5.1
261.10031	49.2
274.27277	5.2
275.27939	1.1
277.17844	0.9
279.11081	1.2
284.11810	0.9
293.14288	1.0
361.16754	14.9
379.17844	38.5
398.60153	0.8
402.19583	1.0
425.23517	11.4
443.18967	1.1
443.24631	25.1
461.25607	100.0
462.26038	1.3
479.26511	6.4
527.59711	0.8
547.33105	4.1
590.36389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5511
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03927	0.7
55.05505	8.5
56.05038	5.4
56.05284	0.8
57.07067	3.0
58.02948	0.4
58.06588	0.6
60.04501	2.1
67.05492	15.5
68.05010	1.5
69.03402	0.9
69.07053	8.4
70.06565	2.5
71.08601	0.8
74.32180	0.4
79.05478	15.2
80.04998	4.3
81.05767	2.3
81.06602	0.6
81.07043	12.9
81.33307	0.4
82.06566	9.2
83.08602	6.0
83.59957	0.4
84.08138	0.5
85.02875	3.0
85.10146	1.5
89.49097	0.4
91.04888	0.4
91.05459	11.2
93.05772	0.4
93.07022	14.0
94.06546	24.5
95.04933	2.7
95.07328	13.1
95.08585	10.9
96.08110	6.7
96.66435	0.4
97.02837	0.5
97.10133	3.6
98.06051	0.5
104.45219	0.4
105.07005	8.1
106.06527	0.6
107.08575	5.8
108.08115	4.6
109.10114	3.6
119.08553	6.4
121.08833	0.6
121.10125	7.2
122.09627	3.2
123.11694	1.9
124.11196	0.5
133.10114	4.5
135.10564	0.4
135.11642	3.5
135.27318	0.4
136.11185	0.9
147.11653	1.9
149.13220	0.5
161.13278	0.8
193.19348	0.4
220.20525	0.5
233.22556	3.0
234.22041	0.7
237.22116	0.5
245.22606	3.7
250.25259	8.6
254.24925	0.5
260.23544	0.5
262.25235	100.0
263.25690	0.7
272.25769	4.6
280.26239	6.0
282.24252	0.4
312.25085	0.4
314.27048	0.6
428.33337	0.4
504.47482	5.5
516.47675	32.7
517.47369	0.6
518.49213	7.1
534.48743	22.0
592.60034	0.5
696.53961	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	715.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37196	0.6
55.05502	1.3
55.51425	0.8
56.96558	17.7
67.05484	1.5
78.02847	0.7
79.05453	1.0
80.62321	0.7
81.07031	5.1
83.08600	0.8
91.05484	1.5
93.07013	1.8
95.04939	1.3
95.08595	1.7
97.06503	0.9
105.07011	1.0
107.08611	1.2
109.10162	1.8
115.00656	0.8
119.08569	1.3
121.10089	1.3
124.99110	3.2
126.44189	0.7
129.99374	3.8
131.00163	2.6
133.01756	0.9
133.10109	0.8
135.11647	1.0
141.02222	3.5
143.00150	21.0
145.10091	1.5
148.00410	9.5
149.01135	1.0
155.03807	1.4
159.03239	9.4
159.11722	1.3
161.01190	35.3
163.11162	0.9
166.01530	1.4
167.03761	1.4
171.03236	1.2
175.46202	0.8
177.04277	3.3
179.02229	8.0
184.02602	0.8
185.04849	7.4
193.05377	1.3
195.07054	0.8
197.08521	4.0
203.05864	1.6
205.82458	0.7
211.06396	20.3
225.07912	0.8
227.09514	1.4
229.07420	29.7
229.09575	1.4
243.08975	18.4
247.08432	5.1
261.10031	49.2
274.27277	5.2
275.27939	1.1
277.17844	0.9
279.11081	1.2
284.11810	0.9
293.14288	1.0
361.16754	14.9
379.17844	38.5
398.60153	0.8
402.19583	1.0
425.23517	11.4
443.18967	1.1
443.24631	25.1
461.25607	100.0
462.26038	1.3
479.26511	6.4
527.59711	0.8
547.33105	4.1
590.36389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49921	0.5
53.03925	0.6
55.01859	1.2
55.05503	2.7
57.03436	4.7
57.07054	0.7
58.83963	0.6
61.02917	7.2
65.46563	0.7
67.05500	3.1
69.03413	3.1
69.07052	1.1
72.23446	0.6
73.02895	4.9
79.05486	2.9
81.03421	4.8
81.07042	3.9
83.01083	1.1
83.04944	0.9
83.08604	1.1
85.02895	9.9
91.03937	4.7
91.05469	3.7
93.07033	1.3
95.04965	1.4
95.08580	0.8
96.22900	0.7
97.02888	6.0
97.06524	0.7
97.07533	0.7
97.10149	0.7
99.04421	1.1
101.02384	1.6
105.07027	2.9
105.79237	0.6
107.08598	3.3
109.02835	0.9
109.10144	1.0
115.03968	0.9
117.05502	0.8
119.08585	2.9
119.66905	0.6
121.10141	1.3
123.04362	0.8
125.09602	0.9
127.03863	2.5
129.05495	2.7
131.08627	1.2
133.10150	1.0
135.11642	0.9
139.03844	0.6
145.04930	1.5
147.11639	1.0
155.03133	0.7
157.10057	0.7
175.11230	1.3
181.04747	1.3
185.04259	7.4
186.68587	0.7
193.12231	1.6
199.13319	0.8
201.03714	3.0
211.13249	0.9
221.11667	0.8
241.06750	1.2
243.08363	6.6
251.12491	4.6
277.14014	1.5
284.04080	0.6
285.10571	0.7
301.08926	20.5
315.10519	4.5
327.10645	1.2
349.16275	3.7
367.17349	1.0
373.10855	6.2
383.16681	4.9
385.18219	8.9
387.12866	1.5
395.16812	1.6
401.14319	0.7
429.17422	1.5
433.25720	2.9
433.88647	0.7
439.19821	0.8
440.52570	0.8
441.21155	0.6
443.18875	6.7
451.19086	0.8
457.20331	2.6
469.20386	19.7
485.20062	3.1
499.21429	5.0
511.21469	2.5
527.28601	1.3
528.21686	3.5
541.22516	8.4
555.24054	1.2
569.25262	1.6
583.28973	1.1
611.30103	5.1
612.30798	3.9
713.33392	100.0
714.33746	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	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
53.03932	0.9
54.31702	0.3
55.05270	0.5
55.05504	10.1
56.05041	3.8
57.03423	0.5
57.07058	4.6
60.04512	2.5
67.05146	0.7
67.05490	15.6
68.04992	0.6
69.03395	0.8
69.07056	11.7
70.06564	2.7
71.08607	1.6
72.14967	0.3
79.05475	13.6
80.05004	3.8
81.05773	2.2
81.06597	0.7
81.07034	12.6
82.06075	0.5
82.06561	10.5
83.08606	6.2
85.02893	3.2
85.10180	0.7
91.05468	10.5
93.06497	0.7
93.07028	12.6
94.06546	25.8
95.04921	2.0
95.07327	13.6
95.08582	9.4
96.08110	7.9
97.02847	0.6
97.10165	2.9
100.07591	0.5
105.07018	7.5
107.07346	0.4
107.08571	5.6
108.08090	4.8
109.10140	4.5
111.02524	0.4
111.11694	0.6
114.09155	0.4
115.80834	0.4
119.08569	7.4
120.08097	0.5
121.08847	0.5
121.10117	7.7
122.09678	3.6
122.10394	0.6
123.11636	1.4
133.10112	4.7
135.10411	0.7
135.11649	2.5
136.11153	1.4
137.09549	0.3
147.11667	1.7
149.13251	1.4
163.14694	0.5
172.72424	0.4
233.22667	2.1
245.22533	3.9
248.23639	0.3
250.25253	7.7
254.24803	0.6
260.23669	0.6
262.25235	100.0
263.25583	1.5
272.25894	3.6
280.26221	6.9
310.59778	0.4
314.26862	0.5
504.47668	4.2
516.47723	27.7
517.47717	0.6
518.49152	4.9
534.40735	0.6
534.48743	18.2
578.16193	0.5
696.53851	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	712.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05510	11.0
56.05023	5.5
57.07066	3.3
60.71136	1.5
61.99387	1.1
62.40482	1.3
64.02827	1.2
67.05488	17.1
68.04981	1.3
69.03416	1.5
69.07047	8.2
70.06571	1.5
71.08620	2.7
79.05464	14.1
79.80299	1.3
80.04997	7.4
81.07044	19.3
82.06551	12.3
83.08621	3.0
85.02894	6.1
91.05464	27.0
93.07024	18.8
94.06547	42.6
95.04953	2.8
95.07327	11.2
95.08596	16.2
96.08113	2.9
105.07024	22.3
106.06550	7.8
107.07364	3.1
107.08584	10.8
108.08105	15.1
109.10155	5.7
115.05398	1.7
117.07005	12.3
119.08547	16.8
120.08079	3.3
121.08839	3.0
121.10126	9.0
122.09644	8.5
123.11731	2.0
131.08551	18.7
132.08051	3.3
133.08934	2.4
133.10117	11.0
134.09666	11.3
135.11702	2.7
145.10112	8.1
146.09631	3.3
147.10417	8.7
147.11609	3.9
148.11159	2.9
149.04121	1.7
159.11612	1.6
161.09601	2.1
201.16335	2.3
201.88278	1.3
218.18925	1.4
231.21059	8.8
232.20576	1.6
242.16034	1.4
243.21034	8.2
248.23653	15.0
260.23685	100.0
272.25851	2.3
278.24811	7.5
350.84262	1.4
467.35165	1.5
502.45627	3.2
514.46161	11.8
516.47821	6.7
532.47095	27.7
634.99207	1.6
694.52582	9.3
705.50690	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
53.03935	3.4
55.01846	1.7
55.05506	28.5
57.00810	0.9
57.03429	34.2
57.07053	4.3
61.02911	4.1
61.24266	0.8
65.03920	2.0
65.50455	0.8
67.05492	93.3
69.03415	1.8
69.07054	26.6
71.01333	5.4
71.04967	6.8
73.02900	0.9
79.05473	83.7
81.03397	5.5
81.07040	69.0
83.04967	14.0
83.08595	11.9
85.02892	5.8
85.06509	3.3
86.47669	0.9
91.03950	1.3
91.05466	36.5
92.74026	0.9
93.07024	100.0
95.04958	11.0
95.08585	41.9
97.02856	3.7
97.06515	15.1
97.10148	15.4
99.04447	0.9
99.08052	1.7
101.33771	1.0
105.07020	18.1
107.08574	62.8
107.09298	2.1
109.06498	4.1
109.10136	18.9
111.08085	2.0
117.07015	11.3
119.08557	17.6
121.06493	3.7
121.10125	24.4
123.11681	4.1
125.09616	1.5
131.08551	8.7
133.10109	12.5
134.10396	1.0
135.08017	3.6
135.11674	66.4
137.09587	1.3
138.40073	0.9
143.08549	1.8
145.10127	18.5
147.11668	4.3
149.13258	6.0
153.12749	1.6
159.11662	5.9
161.13229	3.9
163.11142	5.7
163.14771	4.1
173.13245	4.6
177.16335	1.5
181.12143	10.3
212.35822	0.9
243.20950	4.5
253.14249	3.9
255.15862	83.0
261.22067	10.9
335.25732	46.7
423.32806	1.2
441.33585	1.4
515.37201	77.4
516.90607	1.1
533.38531	3.3
626.45007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.46288	1.1
54.84515	0.9
55.01870	1.9
55.05263	1.8
55.05509	28.1
57.03430	26.8
57.07059	5.5
61.02911	5.2
65.03925	1.5
66.84650	1.0
67.05138	2.7
67.05495	81.5
67.47663	0.9
68.96159	1.0
69.07056	19.7
71.01340	2.7
71.04973	8.6
71.08620	1.8
75.02870	1.0
79.05476	79.1
81.03408	4.8
81.07043	64.9
81.07536	1.8
83.04971	10.9
83.08596	9.8
85.02903	4.7
85.06538	5.8
87.15958	1.1
91.03912	1.3
91.05462	38.4
92.08656	2.1
93.07027	86.3
95.04955	11.0
95.08585	42.5
97.02866	1.3
97.06519	13.3
97.10150	14.9
103.05447	1.3
105.07011	21.3
107.08577	58.7
109.06497	2.3
109.10139	21.5
111.08093	1.7
117.06999	11.0
119.08569	20.9
121.06496	2.4
121.10135	24.0
123.08073	1.5
123.11697	4.6
125.09589	1.8
129.07065	1.4
130.07707	1.7
131.08531	10.5
133.10106	14.7
135.07915	1.8
135.11665	50.0
143.08571	1.4
145.10104	17.9
147.11664	2.1
149.13275	5.4
153.12753	1.2
159.11678	5.2
161.09509	1.3
161.13237	1.7
163.11157	3.0
163.14783	2.4
170.45697	1.4
173.13232	5.7
175.14867	1.4
181.12206	6.9
187.14795	2.7
201.16431	1.8
243.20998	1.6
245.56325	1.3
255.15884	43.9
261.22125	10.5
317.24704	1.4
335.25754	36.8
423.32559	1.6
492.76419	1.3
515.37244	100.0
533.38232	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	708.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01863	27.7
55.05503	48.8
57.03430	44.4
57.07072	4.5
61.02920	16.1
67.05489	71.0
69.03424	11.8
69.07055	26.2
71.04987	6.1
72.48926	2.5
73.02912	5.5
79.05468	64.2
79.05891	2.8
81.03395	100.0
81.07036	70.4
81.07472	3.7
82.04205	2.9
83.04947	40.2
83.05361	2.5
83.08616	39.6
85.02889	36.8
90.86681	2.1
91.03939	4.4
91.05466	73.3
91.06003	4.0
93.07024	50.7
95.04944	47.3
95.08582	21.1
97.02891	13.3
97.06537	14.2
97.10146	19.9
98.07314	5.0
105.07007	50.2
105.40382	2.7
107.04951	16.2
107.08569	29.3
107.09161	2.2
109.06524	16.7
109.10123	18.0
111.04439	5.9
111.08088	13.6
113.05939	3.4
116.04730	11.1
117.07034	10.8
119.08549	35.2
119.17562	2.2
121.06524	6.0
121.10113	22.6
123.08048	10.9
124.08830	2.9
125.09579	19.0
129.05453	32.1
129.07005	16.5
131.08530	33.4
133.06505	4.6
133.10121	27.8
135.08098	3.7
135.11684	4.8
137.81471	2.3
143.07031	5.2
143.08553	3.9
145.10127	9.6
147.07976	3.8
147.11656	29.5
149.09590	12.5
151.11168	3.3
155.08511	2.5
157.08583	13.3
157.10129	34.0
159.11671	3.4
163.11192	9.8
165.12766	3.5
175.11145	27.6
189.11150	9.4
193.12199	55.6
199.13307	10.5
207.13765	3.1
209.11722	3.2
211.13243	63.1
227.12828	4.3
257.18881	4.1
267.15884	22.8
275.19995	31.3
283.15463	11.0
285.16922	45.2
301.16342	32.7
335.45132	2.6
349.23645	69.3
367.24908	3.4
423.16779	2.6
439.26642	8.9
444.80237	2.5
447.36868	2.8
493.28104	15.6
511.28885	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01867	2.7
57.03428	4.1
59.04996	0.3
61.02910	18.4
69.03412	7.1
69.25314	0.2
71.01321	0.5
71.04966	0.4
72.04495	0.3
73.02894	5.2
73.06553	0.2
79.05468	27.6
81.03384	1.7
83.01326	0.3
85.02885	35.2
85.06516	0.4
87.04456	1.2
91.03948	2.2
91.05447	1.4
93.07014	21.9
95.04931	1.2
97.02866	10.4
97.06502	14.8
99.04401	2.0
103.03922	1.7
105.46268	0.3
109.02866	3.3
111.07973	0.2
115.03921	3.6
121.06472	8.4
127.03883	9.3
132.06534	0.6
133.04918	4.0
139.07512	100.0
140.07831	1.0
145.04929	14.1
145.08591	1.0
150.07582	0.5
157.08565	37.6
163.05980	5.2
175.09615	41.2
223.06010	0.3
223.11732	6.8
240.14177	0.3
241.07066	0.3
259.08014	1.0
277.08920	0.3
295.10202	2.0
337.14752	1.0
354.17581	3.1
372.18524	1.5
654.39905	0.3
684.34637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.8
55.01866	9.5
55.05507	41.2
57.03428	21.4
57.07047	2.0
60.33242	1.9
65.03928	2.7
67.05498	91.5
69.03425	17.5
69.07064	24.9
71.04984	10.0
79.05482	76.1
81.03403	90.3
81.07040	100.0
83.04971	35.5
83.08608	30.7
85.02896	25.5
85.06515	2.3
91.05462	66.6
92.08699	3.8
93.07029	91.5
95.04949	37.5
95.08591	55.2
97.02856	16.8
97.06445	6.2
97.10158	4.5
99.04439	2.9
101.36842	2.1
105.04488	2.1
105.07024	58.4
107.04935	9.3
107.08586	45.8
109.02852	4.3
109.06522	11.2
109.10159	26.0
111.04438	7.7
111.08054	13.6
117.07011	13.9
119.08549	43.3
121.06513	2.7
121.10125	27.4
123.08059	3.2
123.11718	7.8
125.09584	3.3
127.03885	2.6
129.06999	16.4
130.28014	1.9
131.08546	29.7
133.06465	3.1
133.10117	26.8
135.08028	3.7
135.11690	15.9
137.09650	2.9
142.07744	4.3
143.08488	3.7
145.10100	19.1
147.08121	4.6
147.11655	24.5
149.09604	9.5
149.13191	8.3
151.11171	2.5
155.08577	2.8
157.10085	17.4
159.11679	11.9
161.13290	4.3
162.42419	1.9
163.11127	3.0
165.12720	4.6
171.11752	2.2
173.13208	4.0
175.11200	12.8
181.12297	2.1
191.10716	2.0
193.12227	31.7
201.16287	2.1
209.13380	2.1
211.13242	38.3
229.58403	2.1
261.22089	7.5
267.15872	10.1
285.16928	11.4
317.24860	2.5
335.25757	63.8
429.21173	15.9
524.17706	2.4
527.37006	7.8
545.38489	65.3
653.39856	2.9
689.42847	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32845	0.5
77.53877	0.4
85.02853	0.5
87.27311	0.5
90.35168	0.6
100.21908	0.5
104.14862	0.5
107.99214	0.5
130.69089	0.5
134.23773	0.4
135.47969	0.4
137.10121	0.4
185.02779	0.9
185.04192	19.4
203.05234	50.1
244.07695	0.7
245.05147	0.6
365.10474	100.0
366.10974	2.0
382.15759	0.6
395.49619	0.5
517.75604	0.6
525.69073	0.5
609.79352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.8
55.01866	9.5
55.05507	41.2
57.03428	21.4
57.07047	2.0
60.33242	1.9
65.03928	2.7
67.05498	91.5
69.03425	17.5
69.07064	24.9
71.04984	10.0
79.05482	76.1
81.03403	90.3
81.07040	100.0
83.04971	35.5
83.08608	30.7
85.02896	25.5
85.06515	2.3
91.05462	66.6
92.08699	3.8
93.07029	91.5
95.04949	37.5
95.08591	55.2
97.02856	16.8
97.06445	6.2
97.10158	4.5
99.04439	2.9
101.36842	2.1
105.04488	2.1
105.07024	58.4
107.04935	9.3
107.08586	45.8
109.02852	4.3
109.06522	11.2
109.10159	26.0
111.04438	7.7
111.08054	13.6
117.07011	13.9
119.08549	43.3
121.06513	2.7
121.10125	27.4
123.08059	3.2
123.11718	7.8
125.09584	3.3
127.03885	2.6
129.06999	16.4
130.28014	1.9
131.08546	29.7
133.06465	3.1
133.10117	26.8
135.08028	3.7
135.11690	15.9
137.09650	2.9
142.07744	4.3
143.08488	3.7
145.10100	19.1
147.08121	4.6
147.11655	24.5
149.09604	9.5
149.13191	8.3
151.11171	2.5
155.08577	2.8
157.10085	17.4
159.11679	11.9
161.13290	4.3
162.42419	1.9
163.11127	3.0
165.12720	4.6
171.11752	2.2
173.13208	4.0
175.11200	12.8
181.12297	2.1
191.10716	2.0
193.12227	31.7
201.16287	2.1
209.13380	2.1
211.13242	38.3
229.58403	2.1
261.22089	7.5
267.15872	10.1
285.16928	11.4
317.24860	2.5
335.25757	63.8
429.21173	15.9
524.17706	2.4
527.37006	7.8
545.38489	65.3
653.39856	2.9
689.42847	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
55.01857	0.1
55.05486	0.6
56.05013	0.6
57.03406	0.1
57.07053	0.5
58.06294	0.1
58.06581	0.3
59.04985	0.1
60.08152	8.3
67.05496	1.3
68.21490	0.1
69.03405	0.3
69.07044	0.7
70.06548	0.1
71.04959	0.5
71.06994	0.2
71.07362	3.8
76.56202	0.1
79.05469	1.2
81.07034	2.4
81.44077	0.1
83.04971	0.6
83.08601	0.3
85.02916	0.1
85.06490	0.2
86.09692	44.0
87.04449	0.2
91.05457	1.6
93.07016	2.3
95.04943	0.9
95.08579	1.4
97.06518	0.2
98.98450	3.2
99.04452	0.1
104.10730	3.1
105.07009	2.2
107.04951	0.1
107.08585	1.8
109.06483	0.7
109.10139	0.6
111.08092	0.2
117.07004	0.2
119.08563	1.3
121.06477	0.2
121.10136	0.6
123.08044	0.3
123.11674	0.2
124.99981	30.6
125.06015	0.1
129.06976	0.5
131.08557	1.0
133.10114	1.2
135.08083	0.5
135.11644	0.5
137.09671	0.1
142.07750	0.2
143.01050	0.7
143.08556	0.2
145.10115	1.5
147.08067	0.2
147.11723	0.7
149.09624	0.3
157.10155	0.5
159.11696	0.3
161.09579	0.2
173.09642	0.2
175.11142	0.2
175.14784	0.3
177.12735	0.2
184.07309	100.0
201.16452	0.3
215.14340	0.1
217.15898	0.2
219.17390	0.2
233.15344	0.3
235.16985	0.2
251.16443	0.2
706.46497	10.8
707.46375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34934	0.7
55.01868	1.6
57.03429	7.1
57.41563	0.8
57.54689	0.7
61.02905	0.8
64.66497	0.8
65.03947	1.0
67.05493	3.2
69.03413	4.9
70.06565	1.3
72.63023	0.9
73.02890	10.6
79.05463	2.1
81.07041	4.5
85.02891	2.2
85.06503	0.8
91.05466	15.7
92.65216	0.9
93.07036	4.3
94.04185	1.0
95.04941	8.3
95.08587	10.6
97.02861	1.4
98.32514	0.8
103.05462	13.5
105.07014	8.1
107.04940	8.8
107.08570	3.4
109.06531	4.0
109.10162	2.1
113.05992	1.0
115.03869	1.8
115.05427	2.1
117.07021	2.1
119.04922	16.5
119.08570	1.1
121.06496	8.2
121.10129	0.9
122.03611	4.5
123.04418	5.6
123.08018	7.5
129.07007	8.8
131.04906	30.3
131.08553	2.1
133.02808	5.5
133.06503	3.9
133.10083	1.3
135.04407	3.8
135.08064	4.2
136.05170	1.1
137.05956	100.0
141.06985	1.2
143.04887	1.7
144.05722	1.2
145.06474	5.1
146.07253	1.7
147.04395	21.8
147.08035	3.9
148.04794	2.1
149.05988	8.8
151.07526	84.0
152.06180	0.9
157.06476	5.4
158.32159	0.9
159.08005	4.0
160.05153	3.5
161.05954	60.1
161.09598	12.7
162.06702	4.0
163.07501	34.0
163.11111	1.2
165.05542	1.0
165.06966	4.9
165.09099	4.5
167.07028	2.0
167.08443	1.8
169.06444	0.9
174.06744	5.6
175.07510	25.9
177.05492	1.9
177.06993	1.9
177.09064	17.8
179.07013	4.1
179.08517	1.5
181.06461	2.0
182.07190	1.3
187.07571	5.1
188.01740	1.2
189.09079	30.5
189.10773	1.5
191.06982	1.6
191.08556	5.6
191.10641	15.5
193.06494	3.5
193.08543	1.3
193.10211	1.1
194.07286	4.2
195.08017	10.2
195.10138	8.1
197.05891	1.3
199.07391	1.4
201.09109	1.8
203.10550	1.5
205.06477	4.2
207.08224	2.1
207.10149	11.3
208.08844	2.2
209.00769	1.0
209.05960	1.5
209.09615	1.7
209.45914	0.9
210.06763	4.1
211.07518	4.9
213.08989	1.6
219.08006	10.8
219.10152	25.9
221.05956	6.4
221.09573	1.6
221.11562	1.2
222.06795	2.2
223.07590	6.7
223.11169	1.9
224.08284	1.8
225.09070	10.5
227.06987	1.8
227.10564	4.7
234.06743	1.3
235.07545	5.1
236.08267	4.1
237.05624	0.9
237.09048	10.4
238.06241	1.5
239.06969	5.9
240.07654	1.5
241.08569	4.4
247.07494	5.3
248.08185	1.9
249.09032	5.0
250.06097	1.3
251.06989	6.7
251.10666	5.8
252.07738	1.9
253.08554	21.4
253.12102	1.5
254.09354	1.5
255.06479	8.3
255.10147	3.6
261.09253	1.3
264.07745	4.7
265.08530	18.3
267.10077	7.6
268.10794	1.4
269.07968	2.0
269.11771	1.4
270.08810	5.9
273.18457	4.7
277.08463	1.8
277.12000	0.9
279.10117	10.6
281.08066	3.3
281.11798	1.1
282.08783	1.2
283.09604	8.0
283.12885	1.7
285.11227	8.3
287.12646	4.8
291.09903	1.6
291.19550	1.8
295.09622	4.3
296.10443	6.5
297.11148	25.8
299.12692	4.4
309.11145	5.5
311.12906	11.4
313.10956	1.3
313.14233	1.9
315.12268	5.1
317.13864	1.5
321.11157	1.1
323.12601	3.6
329.13766	29.5
331.15369	9.9
337.14435	6.5
341.13620	1.3
355.15384	24.6
367.15323	11.7
436.49673	1.1
455.27847	1.6
461.19489	6.0
473.19553	2.0
473.28748	4.7
479.20590	11.0
491.20276	4.0
493.21460	1.1
509.21677	16.2
521.21466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03433	0.3
57.03874	0.2
65.03931	0.2
66.04701	0.3
69.03416	1.1
69.08167	0.2
72.81040	0.2
79.05468	1.2
81.03386	0.3
81.07027	0.4
85.02882	2.7
91.05469	6.6
92.09047	0.3
93.06983	0.2
93.33073	0.2
94.04164	1.5
95.04939	1.4
97.02865	1.0
103.05452	4.3
105.07037	2.3
107.04942	1.0
109.02860	0.2
109.06514	1.3
111.02026	0.2
111.04394	0.5
115.05450	0.4
117.07008	1.0
119.04925	5.2
121.06487	1.5
122.03638	5.9
123.04437	0.5
123.07965	0.4
128.06212	0.3
129.06987	1.8
131.04906	8.0
131.08517	0.4
133.06459	3.2
135.04404	0.4
135.08076	2.4
136.05190	0.5
137.05963	100.0
138.06306	0.4
139.07440	0.2
141.06981	0.3
143.04936	0.4
143.08504	0.4
145.04974	0.3
145.06470	1.7
146.03630	0.3
147.04443	0.2
147.08014	0.5
148.05203	0.3
149.05962	3.4
151.07532	19.1
153.06960	0.2
157.06444	1.8
159.08014	0.8
161.05951	3.4
162.06662	0.5
163.03844	0.2
163.07516	12.9
165.06984	1.7
165.09071	1.5
166.07738	0.3
167.07063	0.7
167.08499	4.1
169.06493	0.5
171.08015	0.4
174.06671	1.5
175.06079	0.4
175.07523	4.6
177.07043	0.3
177.09084	2.2
179.08524	0.2
181.06470	0.4
182.07263	0.5
183.08102	0.4
185.12527	0.2
187.07520	1.9
189.09076	4.5
191.08623	0.4
193.06479	1.4
193.10110	0.3
194.07239	0.4
195.08035	7.7
196.08769	0.3
197.06003	0.4
197.09656	0.3
199.07510	0.3
201.09105	1.4
202.07870	0.2
203.08607	0.3
203.10614	0.9
207.08086	0.5
209.09596	1.2
210.06758	1.7
211.07626	0.3
212.06311	0.2
212.08304	1.2
213.09073	0.3
218.07460	0.3
219.07982	1.2
219.09972	0.3
221.05925	2.6
221.09633	1.1
222.06680	0.2
223.07530	2.9
224.08325	1.2
225.09070	2.7
225.92603	0.2
227.07126	0.3
227.10637	8.0
233.09589	0.9
235.07478	0.4
236.08215	0.3
237.09012	0.8
238.06241	1.1
239.10742	1.2
240.07799	0.2
249.09058	0.9
251.10585	1.5
252.07793	1.0
253.08568	2.8
253.12115	0.4
255.06505	0.2
255.07188	0.3
255.10117	6.8
259.11145	0.2
261.09039	0.3
262.10016	0.2
265.08435	0.3
267.10098	3.2
272.10382	0.3
277.12100	0.2
279.10156	0.4
281.11688	0.4
285.11206	4.3
287.12753	13.0
291.10385	0.3
293.11771	0.4
297.11240	0.3
299.12823	1.2
301.14212	0.4
305.11554	1.1
307.13284	0.3
307.68039	0.2
313.14401	1.4
319.13120	0.4
323.12680	0.2
325.14273	0.9
337.14258	1.1
351.15836	2.8
369.16989	4.2
415.19052	2.5
443.18344	0.9
475.21149	6.2
493.22131	31.9
494.22382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.94306	0.2
55.01868	11.1
57.03137	0.2
57.03431	9.1
61.02916	4.8
69.03416	35.4
71.01333	0.9
71.04971	2.1
73.02897	6.7
81.03402	3.6
83.01309	0.4
85.02889	100.0
87.04448	1.6
91.03936	1.6
97.02869	35.0
98.65720	0.2
99.04433	8.8
101.02353	7.0
103.03944	0.9
109.02866	5.7
115.03915	4.2
117.05460	0.3
127.03892	86.1
128.04204	0.4
133.04958	1.1
139.07443	0.2
145.04938	59.0
163.05980	19.2
180.08646	4.7
189.00603	0.3
191.03856	0.3
198.09688	3.2
200.04257	0.2
241.06924	0.3
259.08035	4.0
271.07977	0.4
277.08957	0.4
289.09082	6.4
307.10059	1.3
325.11221	11.1
329.43994	0.3
341.70786	0.2
343.12442	1.7
360.14957	2.2
362.09534	0.4
362.59903	0.3
375.58746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99735	0.3
53.16586	0.3
53.74838	0.3
55.01846	0.5
61.02906	0.9
63.12432	0.3
63.55542	0.3
67.05476	0.4
69.03409	2.9
79.05463	0.4
80.17400	0.4
81.03391	0.9
81.07035	0.7
82.13636	0.4
85.02885	8.8
91.05457	11.5
91.13531	0.4
92.08670	0.6
94.04104	0.4
95.04932	3.9
97.02869	2.1
103.05441	1.6
105.07001	2.5
107.04927	2.6
108.05668	0.4
109.06506	2.1
115.05390	0.6
117.07053	0.4
119.04912	9.7
119.45998	0.4
121.06467	3.2
122.03622	1.6
127.03866	1.0
128.06186	0.5
129.06989	8.0
131.04895	4.1
131.08479	1.4
133.06439	0.7
135.08029	3.5
136.05171	1.8
137.05949	52.3
138.06252	0.5
143.04872	0.8
145.04979	0.5
145.06451	2.2
147.04385	0.5
147.07973	1.0
149.05951	7.9
150.06680	0.6
151.03885	2.2
151.07516	61.5
152.06161	0.5
152.07957	0.6
157.06450	6.8
158.07280	0.5
159.08009	0.4
161.05942	9.5
161.09575	1.0
163.07497	15.8
165.06952	3.3
165.09015	3.1
167.07196	0.8
167.08534	6.7
174.06708	4.0
175.07529	4.3
177.06924	0.5
177.07626	0.5
177.09082	7.7
178.07755	1.7
179.08549	1.6
181.06541	0.6
181.10097	0.5
189.09059	21.4
193.06439	2.4
193.10150	4.4
194.07173	0.5
195.08025	15.1
195.09865	0.6
196.08830	0.4
197.05882	0.6
197.09624	0.7
203.08571	0.8
205.06378	0.5
206.07317	0.6
207.08145	0.8
207.09908	2.8
209.09605	1.9
210.06750	2.0
211.07553	0.8
212.08318	2.1
219.10083	0.6
220.08731	0.4
221.05948	5.1
221.09573	6.3
221.11557	1.0
223.07462	7.4
224.08269	2.3
225.09068	5.7
227.10608	21.1
227.12897	0.7
235.07542	0.8
237.09113	1.9
238.06180	2.1
238.09807	1.4
239.06909	0.5
239.10559	0.5
240.07713	3.3
241.08488	0.6
241.12166	0.6
249.09047	3.1
251.10443	0.5
253.08557	8.9
253.12170	12.7
254.09198	0.5
255.10095	19.7
255.12660	0.9
256.10822	0.6
265.08560	1.0
266.09244	0.8
267.10141	4.1
269.07919	3.2
269.11716	0.9
270.09088	0.6
272.10394	2.2
281.11664	4.2
284.10446	0.8
285.11224	12.1
287.12720	29.3
293.11411	0.5
297.11169	0.7
298.11963	0.7
299.12769	2.1
301.14072	0.6
311.12854	0.8
313.14243	16.2
331.15326	100.0
332.15680	2.0
343.15192	3.9
475.20230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72105	0.2
67.05490	0.7
72.56488	0.3
75.16767	0.3
79.05471	1.2
81.07045	0.6
91.05482	0.5
93.07043	1.2
95.05016	0.3
95.08546	0.3
99.92651	0.2
105.07069	0.4
107.08571	1.3
109.06483	0.3
133.10088	0.4
162.42778	0.3
182.21016	0.3
185.04207	0.4
189.48640	0.3
210.01431	0.3
238.52682	0.3
259.07980	0.3
339.78964	0.4
347.09485	1.5
375.25217	0.4
399.69180	0.3
410.95255	0.4
421.12915	0.3
500.26675	0.3
537.30267	23.4
538.30212	0.4
545.55505	0.3
699.35492	100.0
700.35901	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.5
53.03928	2.1
53.75207	0.9
55.01863	2.8
55.05503	47.3
57.03427	14.6
57.07066	26.6
61.02914	46.8
65.03921	1.6
67.05146	2.2
67.05491	55.0
69.03403	6.4
69.07053	81.3
71.04971	6.5
71.08611	16.8
73.02900	13.4
73.06493	1.0
75.04459	1.8
79.05473	24.7
81.03377	2.1
81.07039	71.1
82.77496	1.3
83.04950	1.8
83.08117	2.2
83.08599	53.2
85.02889	43.2
85.06514	2.3
85.10162	8.2
87.90837	1.2
91.03924	36.1
91.05453	7.6
93.07023	47.7
95.04957	2.1
95.08585	73.8
97.02872	17.5
97.06526	14.0
97.10152	36.5
99.04425	4.5
99.08083	2.3
105.07021	2.9
106.30082	1.1
107.08574	31.3
108.96615	1.1
109.10137	39.5
111.08054	7.8
111.11719	9.5
113.09560	1.6
119.17331	1.2
121.10116	56.7
123.11653	11.2
125.09602	6.2
125.13287	2.3
127.03882	8.7
133.10161	2.4
135.11661	42.2
137.13260	2.4
139.11142	5.4
145.04892	8.8
145.10042	1.7
149.13243	18.7
151.14795	2.5
153.12758	2.4
163.05984	16.9
163.14816	9.0
165.16333	2.8
166.34116	1.4
177.16360	4.9
179.53101	1.4
191.17982	1.3
199.14771	1.5
247.24150	37.4
265.22330	2.5
265.25192	82.9
283.26294	13.8
339.28864	100.0
357.25632	2.6
357.29916	66.1
376.41672	1.2
501.33871	7.7
613.89966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93295	0.7
60.17044	0.6
67.05503	0.8
69.07063	1.0
79.38344	0.5
81.07053	2.5
85.01527	0.5
85.06575	0.5
91.05447	3.0
92.05753	0.7
93.07024	1.4
95.08595	4.9
97.06609	0.6
101.52834	0.6
107.08592	0.6
107.52856	0.6
109.10163	1.5
119.04948	3.0
119.08588	0.8
123.08065	2.9
123.11702	0.8
131.04846	0.7
137.06003	1.1
147.04413	7.8
148.04774	3.7
149.04895	2.2
151.07515	25.8
152.07867	3.6
163.07567	0.8
175.07524	0.8
177.09138	3.4
178.09462	1.2
191.10709	4.0
205.12273	2.9
217.08426	1.1
247.09331	11.5
331.07788	1.0
336.42166	0.7
349.30887	0.6
385.16125	7.1
393.15384	1.1
431.31476	0.8
438.53564	0.7
441.29514	0.9
459.30804	0.8
460.31519	1.0
586.33661	0.8
693.25079	100.0
694.25433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.56777	0.3
54.81340	0.4
55.05505	2.1
57.03431	2.5
61.02914	5.2
67.05496	3.5
69.03409	3.0
69.07073	0.5
71.01324	0.5
71.04990	0.8
73.02912	3.9
79.05481	3.5
81.03398	7.6
81.07043	4.1
81.68267	0.3
83.04967	1.7
83.08623	2.2
85.02895	9.7
87.04510	0.5
91.03955	3.1
91.05468	5.4
93.07016	2.6
95.04939	2.9
95.08582	1.2
97.02888	4.8
97.06525	0.5
99.04436	0.7
101.02386	1.9
105.07009	3.4
105.75542	0.3
107.08596	0.6
109.02906	0.6
109.06516	0.8
111.04382	0.4
111.08062	0.7
115.03931	0.3
119.08558	2.8
121.10143	0.7
127.03916	2.0
129.06998	1.5
131.08551	2.4
133.10150	1.9
142.07777	0.3
147.11713	1.7
149.09644	0.4
157.10161	1.7
175.11188	1.8
185.04160	0.4
193.12204	3.3
203.05289	0.6
204.30333	0.3
211.13344	1.8
243.08401	1.8
251.12511	3.2
253.02412	0.4
285.10004	0.4
285.17041	0.6
307.15396	0.6
338.14029	0.4
469.20398	15.8
697.33960	100.0
698.34259	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20292	0.4
53.00311	0.8
53.03937	3.5
53.40245	0.4
55.05507	26.3
57.03431	25.0
57.07076	0.5
59.04983	0.8
61.02920	6.4
64.33120	0.5
65.03940	1.2
65.10062	0.4
66.04675	0.5
67.05495	37.0
69.02668	0.4
69.03420	6.7
69.07060	11.4
71.01350	0.5
71.04977	7.9
73.02898	2.4
73.06535	0.6
79.04995	0.6
79.05476	37.8
81.03403	100.0
81.07040	42.4
83.04968	29.3
83.08607	35.2
85.02892	48.2
85.03430	0.8
85.06531	3.7
87.04490	0.8
91.03937	2.9
91.05463	54.6
92.54996	0.4
93.07027	27.7
95.04951	40.6
95.08591	16.4
97.02879	7.5
97.06514	6.6
97.10159	6.4
99.04437	0.6
99.08085	2.0
101.09635	0.7
105.07014	36.5
107.04944	12.1
107.08575	11.8
107.09203	0.8
109.02877	0.5
109.06506	6.8
109.10147	4.9
111.04468	3.8
111.08070	14.4
113.05991	4.6
115.05456	2.7
117.07010	3.0
119.04936	1.9
119.08562	31.8
121.06470	2.6
121.10123	14.7
123.08057	4.9
123.11672	3.4
125.09634	2.3
127.03922	0.7
127.07558	0.5
128.06239	0.6
129.05505	0.6
129.06989	21.6
129.15366	0.5
131.08543	19.9
133.06454	5.9
133.10110	19.7
135.08003	0.7
135.11769	0.8
137.09543	3.6
142.07745	4.7
145.10120	3.1
147.08081	4.7
147.11670	23.5
149.09587	11.3
151.11183	0.8
152.23958	0.5
157.10104	23.3
157.11366	1.0
163.11171	0.8
165.12715	3.8
175.11153	21.7
175.12616	0.8
193.12215	59.7
211.13263	71.9
249.14825	1.0
267.15848	28.0
285.16910	65.9
286.17285	0.8
350.73117	0.5
367.22739	1.9
385.23804	4.0
433.26202	0.7
448.33426	0.6
459.27362	21.5
477.21503	0.8
477.28345	25.0
495.29453	62.4
496.29947	1.9
519.51105	0.6
572.37616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21335	1.0
53.00302	2.0
53.03929	5.4
55.01865	22.3
55.05503	41.7
57.03429	35.0
57.07069	7.0
59.04981	1.5
61.02906	13.3
65.03921	2.2
67.05490	83.5
69.03413	10.6
69.07048	29.8
71.04969	5.6
71.08587	1.4
71.12172	1.3
73.02888	11.4
77.40752	1.2
79.05470	60.4
80.09444	1.2
81.03396	20.1
81.07035	100.0
82.04191	5.4
83.04963	21.9
83.08596	27.9
84.05753	1.4
85.02905	15.1
85.06528	5.5
91.03944	2.7
91.05450	45.7
93.07019	68.1
95.04942	19.7
95.08584	30.2
97.02876	10.3
97.06500	17.1
97.10139	19.4
98.07291	8.2
99.08113	1.6
105.07030	18.9
107.04918	7.4
107.08582	44.3
109.06495	7.2
109.10119	12.5
111.08064	10.2
116.04676	22.6
117.06971	15.0
119.08564	15.4
121.06457	5.3
121.10105	16.7
122.10899	1.8
122.62693	1.3
123.08057	8.7
123.11712	3.0
125.09604	21.2
127.03927	1.6
127.11202	1.5
129.05443	54.0
129.06984	6.1
131.08539	18.7
133.10114	25.9
135.08026	5.3
135.11670	11.9
139.11157	1.6
143.07018	11.2
143.10663	2.7
145.10121	2.8
147.08044	1.6
147.11685	7.8
149.09598	1.7
149.13222	17.1
157.08582	20.0
157.10065	5.7
159.11586	10.0
162.97517	1.4
163.11198	5.5
171.06500	2.8
171.10114	5.5
173.11699	2.1
175.11148	2.6
177.12730	3.3
185.11685	3.0
189.11168	10.4
190.78148	1.3
193.12248	7.5
195.13803	21.0
199.13280	12.3
200.14088	2.0
211.13269	3.3
213.14761	2.5
218.14279	1.4
227.12753	10.7
245.10283	1.5
255.15758	1.8
267.15811	5.3
269.17380	65.3
274.74557	1.4
283.15305	7.5
301.16379	66.4
323.18442	7.9
388.47968	1.4
393.26367	2.4
411.27069	12.9
423.27396	30.1
461.28900	5.7
477.28195	8.5
478.29361	2.0
495.29431	95.3
496.29977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77716	1.0
53.03938	3.2
55.01865	20.3
55.05505	43.4
57.03429	32.3
57.07064	5.6
59.04992	1.9
59.29012	1.1
61.02921	9.6
65.03918	3.1
67.05491	82.7
67.05850	3.0
69.03410	10.8
69.07052	28.3
69.27906	1.8
70.04186	1.5
70.06564	1.4
71.04975	8.3
73.02890	7.9
73.47168	1.1
74.92023	1.2
79.05478	60.0
81.03400	26.7
81.07037	100.0
82.04189	2.8
83.04957	18.9
83.08601	25.3
85.02908	12.1
85.06512	6.5
91.05460	40.3
93.07023	68.9
95.04956	20.6
95.08580	24.6
97.02869	7.5
97.06499	14.9
97.09618	1.6
97.10135	12.6
98.07274	2.4
99.04431	1.5
105.07020	20.7
107.04947	7.1
107.08578	38.2
109.02837	1.6
109.06503	7.6
109.10147	14.0
111.04433	1.4
111.08079	11.4
116.04697	11.2
117.06981	12.9
119.08591	12.2
121.06476	2.9
121.10120	20.8
123.08022	6.7
123.11668	2.9
125.09600	12.6
127.03938	1.7
129.05438	26.9
129.06940	1.9
131.08548	13.5
133.10094	19.0
135.08038	5.2
135.11691	9.7
137.05977	1.6
137.09581	2.0
143.07043	7.0
145.10095	6.2
147.08025	1.7
147.11671	5.6
149.09619	2.5
149.13235	22.5
151.11116	2.1
153.09105	1.9
157.08585	12.5
157.10057	5.4
159.11656	9.5
163.11183	9.2
171.06528	3.0
171.10077	4.6
175.11252	1.8
177.12746	6.6
181.12169	1.9
189.11179	6.3
193.12151	2.9
195.13762	11.0
199.13206	10.5
200.14095	2.1
209.11604	2.8
211.13428	1.7
213.14862	1.6
227.12714	8.4
255.15746	1.6
267.15955	2.8
269.17395	49.6
271.78052	1.3
274.27322	7.3
283.15451	12.4
301.16422	33.2
311.17691	1.6
323.18542	2.0
385.19821	1.4
393.26132	5.5
411.27374	6.6
423.27216	18.8
459.27209	2.5
461.28867	2.8
477.28571	12.8
478.28909	8.5
495.29413	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.2
55.05509	1.7
57.03415	0.3
57.07059	0.2
58.68252	0.2
59.04959	0.2
60.08811	0.2
61.02913	0.2
65.03907	0.2
67.05143	0.2
67.05492	5.4
67.92186	0.1
68.21014	0.1
69.03415	1.2
69.07042	1.0
70.70830	0.2
71.04971	0.4
78.65326	0.2
79.05494	1.3
81.03401	0.3
81.07047	3.7
83.04965	0.7
83.08595	0.8
85.02892	0.8
85.06142	0.2
85.06536	2.9
87.04431	0.3
91.05443	1.1
93.07008	2.1
95.04937	0.7
95.08587	21.0
97.02868	0.3
97.06490	0.2
97.10146	0.3
98.97578	0.3
99.04414	1.6
99.08091	0.2
101.05979	0.7
102.53220	0.2
103.05464	0.3
105.07021	2.3
107.08585	1.4
108.05750	0.3
109.10153	3.4
111.04419	0.4
111.08085	0.7
113.05994	2.6
113.09631	1.3
114.07204	0.2
119.04884	0.4
119.08548	1.2
121.06481	0.3
121.10109	1.3
123.07163	0.5
123.08051	12.6
123.10893	0.2
123.11670	1.5
125.09612	0.4
127.03858	0.2
129.09081	0.4
131.04880	0.3
131.07024	0.3
131.08531	0.4
133.10109	1.0
135.08031	2.1
135.11671	0.8
137.05968	3.0
137.09615	2.6
139.07475	0.3
141.09081	5.2
143.08443	0.2
145.10092	0.4
147.04387	0.8
147.08025	0.3
147.11687	0.4
149.09650	0.3
149.13275	0.8
151.07526	100.0
152.07851	0.9
155.10730	0.3
157.08640	0.4
157.10019	0.2
159.08018	0.4
159.10248	0.2
159.11699	0.7
161.09584	0.7
161.13249	0.4
162.06631	0.3
163.07527	1.0
163.11180	0.8
165.09096	8.5
166.09436	1.4
167.06979	0.2
169.08598	0.7
173.09618	0.8
174.06735	0.2
175.07501	2.5
175.11110	1.5
175.14728	0.2
176.08226	0.3
177.09079	6.8
178.09406	0.3
185.09668	0.2
186.99072	0.2
187.09637	4.1
187.11208	0.9
187.14861	0.2
188.08261	0.2
189.09044	1.6
189.12715	1.0
190.09901	0.3
191.10635	14.8
193.08614	0.8
203.10641	2.0
205.12213	4.6
215.10674	0.3
217.08563	1.3
217.12099	0.4
219.10098	0.4
229.12198	0.3
231.13766	0.3
243.13620	0.2
259.16962	0.4
273.18594	0.3
285.18314	0.8
289.21826	0.3
293.21072	1.2
303.19662	1.6
307.22583	0.2
325.23566	0.4
337.23657	2.8
405.55841	0.2
411.28824	2.2
429.29935	6.9
457.29443	3.6
475.30481	17.4
493.31512	0.4
609.23303	0.2
617.96783	0.2
689.49249	0.7
690.49133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
56.73058	0.7
57.03426	1.2
57.36905	0.7
64.91802	0.8
69.03402	0.9
71.04967	1.2
71.52699	1.0
73.02900	0.8
74.90473	0.9
78.24876	0.9
79.05470	6.3
81.02841	0.8
81.07027	1.3
85.02881	5.3
90.09130	0.8
91.05454	18.5
93.07014	1.8
95.04940	5.0
97.02861	0.9
103.05464	15.2
105.07000	12.5
107.04942	33.1
109.06505	3.7
111.04385	0.8
114.36918	1.0
115.05434	5.0
117.06989	3.4
119.04922	18.3
121.06437	4.9
122.03616	4.8
122.07256	1.1
123.07996	0.9
128.06134	1.4
129.06970	7.3
130.04095	1.3
131.04900	21.5
133.06479	8.6
135.08000	10.2
136.05161	1.6
137.05954	85.2
142.12122	0.9
143.04932	0.9
145.06467	3.1
145.07506	1.1
146.03651	1.0
146.07260	3.4
147.04375	14.4
148.05150	1.3
149.05977	6.7
151.07512	37.4
157.06425	4.8
159.08034	0.9
160.05142	0.8
161.05949	100.0
161.09573	22.6
162.06656	6.4
163.07497	44.7
163.13626	1.0
165.06866	1.2
165.09067	1.9
167.08542	3.9
174.06703	3.2
175.07510	10.7
177.05399	1.1
177.09055	5.8
178.07803	1.0
179.07001	2.2
181.08597	7.0
184.00970	0.8
189.09076	52.2
191.06987	1.2
193.06363	1.0
193.10109	1.7
194.07236	1.4
195.08005	9.1
195.09570	1.1
201.09119	1.3
207.10126	50.1
209.09592	1.2
210.06778	1.1
212.08328	1.4
219.10141	6.7
221.05913	5.1
221.09567	3.4
223.07455	5.5
224.08295	1.3
225.09016	4.6
227.10637	9.8
235.07506	0.9
237.08989	1.1
238.06297	0.9
253.08511	3.8
253.12199	6.4
255.10083	11.0
265.08475	2.1
267.09958	2.1
269.08051	1.0
281.11621	3.8
285.11151	7.4
287.12704	21.7
297.11133	3.7
299.12512	3.4
301.14221	1.1
311.12656	12.5
313.14279	21.4
331.15344	52.5
332.15363	1.0
343.15378	5.9
386.97830	1.3
400.99487	1.8
503.02435	2.0
625.88843	1.0
641.80255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01676	0.7
55.01871	10.4
55.05236	0.8
55.05505	20.9
57.03174	0.9
57.03430	17.4
57.07059	0.8
57.28124	0.5
57.44448	0.6
59.04981	1.7
61.02916	6.3
67.05141	1.2
67.05489	27.4
69.03419	6.1
69.07057	9.5
71.01324	0.8
71.04989	6.6
73.02907	1.4
77.03932	0.6
78.50739	0.6
79.05476	35.3
79.55344	0.6
80.38478	0.6
81.03402	57.8
81.07040	40.3
83.01324	9.0
83.04962	25.4
83.08604	26.1
85.02892	27.6
85.06522	2.8
91.03925	2.8
91.04881	1.1
91.05458	31.6
93.07021	35.0
95.04948	26.4
95.08584	16.9
97.02891	7.3
97.06512	7.8
97.10142	5.6
99.04432	1.7
99.08069	1.0
105.07011	26.4
107.04942	11.8
107.08582	16.8
109.06495	8.8
109.10111	5.4
111.04416	4.0
111.08078	7.3
113.05984	3.3
115.05446	1.2
117.07009	8.4
119.03850	0.7
119.04811	0.7
119.08572	21.8
121.06471	3.8
121.10128	13.6
123.08031	8.9
123.11682	3.0
125.05979	1.4
125.09633	3.2
127.03901	1.0
129.05441	0.7
129.06972	10.3
131.08562	12.2
133.06494	1.5
133.10107	10.8
135.08011	1.2
135.11688	9.7
137.09590	3.1
142.07773	2.8
143.08530	1.0
145.10112	14.1
147.08008	4.7
147.11673	11.8
149.09590	6.2
151.07542	0.9
153.12711	1.4
155.08478	1.5
157.10098	12.4
163.11157	18.6
165.12756	2.7
173.09552	1.7
175.11134	12.6
181.12169	0.9
191.10620	1.5
193.12210	29.9
197.32179	0.8
209.11673	2.7
210.19987	0.9
211.13260	34.9
227.12656	1.6
231.38647	0.8
246.37041	0.7
249.55681	0.8
266.97247	0.8
267.15884	8.7
283.15356	43.8
285.16901	32.7
378.67307	0.8
383.22003	1.0
401.23141	1.3
457.25656	3.9
471.94614	0.7
475.26718	15.8
493.27869	100.0
494.28232	1.0
680.63251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.7
55.01862	4.5
55.05506	25.6
57.03428	22.9
65.03910	2.1
65.68586	1.8
67.05493	58.6
68.63678	1.7
69.03409	4.8
69.07043	12.9
69.95398	1.8
70.06562	2.0
71.04969	3.8
79.05476	79.4
79.05946	2.5
81.03400	65.6
81.07042	60.6
83.04975	24.4
83.08601	22.5
85.02892	25.5
85.06516	2.2
85.43039	2.3
88.07639	2.2
91.05463	73.8
93.07021	67.0
95.04954	47.5
95.08581	31.9
97.02868	4.5
97.06509	4.5
97.10132	3.4
105.07019	66.3
107.04928	15.0
107.08571	27.8
109.06478	11.3
109.10135	9.8
111.08072	12.0
117.06973	9.7
119.04917	2.9
119.08555	41.3
121.06465	2.9
121.10098	13.5
123.08052	5.2
125.14335	2.0
129.06967	25.1
131.08537	18.4
133.06461	2.5
133.10104	18.0
137.09662	2.7
138.05949	1.9
140.05646	2.6
143.08487	10.2
145.10091	14.1
147.08054	3.4
147.11667	39.9
149.09612	8.8
157.10103	14.0
159.11667	2.7
161.13271	5.0
165.12654	2.8
171.11649	18.8
175.11108	14.4
189.12718	4.0
193.12198	30.3
204.59267	2.2
207.13765	10.2
211.13269	32.1
267.15857	30.7
274.27301	12.0
281.17441	41.7
285.16852	26.3
375.14401	2.8
473.22284	4.3
473.28922	100.0
491.29901	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	690.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04755	0.5
55.01853	3.9
57.03411	1.5
61.43620	0.6
65.03918	1.5
66.13693	0.6
68.21049	0.7
69.03398	1.4
70.06586	0.8
71.04958	1.1
72.11465	0.7
79.05470	4.7
81.07010	0.7
83.11388	0.7
85.02874	3.3
88.48357	0.7
88.71963	0.6
91.05458	21.1
93.07034	0.8
94.04154	1.1
95.04938	4.0
97.02885	1.1
103.05441	16.8
105.07006	10.9
107.04940	30.9
109.06464	1.7
115.05437	5.4
115.29160	0.7
117.07011	2.6
119.04916	19.3
120.05741	0.8
121.06457	7.6
122.03590	3.9
122.07250	1.3
123.08007	1.1
128.06190	1.2
129.06979	9.8
129.34058	0.7
130.04111	1.4
131.04887	21.3
131.08551	1.6
133.02858	1.3
133.06465	8.7
135.08035	9.5
136.05174	1.0
137.05957	91.2
144.05539	0.8
145.06479	2.6
146.03651	1.1
146.07234	3.0
147.04379	13.6
147.08034	0.8
148.05135	3.9
149.05998	6.4
149.09526	0.8
150.06738	0.8
151.07524	45.6
157.06473	7.0
158.60905	0.7
159.08046	1.0
161.05951	100.0
161.09564	23.9
162.06685	5.7
163.07510	43.3
163.08882	0.9
165.06947	3.0
165.09041	1.5
167.07155	0.8
167.08461	5.1
174.06818	5.2
175.07518	15.6
175.08946	1.3
177.05370	0.9
177.09033	3.1
178.07690	0.8
179.06950	1.7
181.08537	6.1
189.09071	54.4
191.07076	1.5
193.06548	1.2
193.10091	2.5
194.07272	0.8
195.08058	9.8
195.09798	1.3
207.08261	1.9
207.10117	52.2
209.05949	0.9
209.09550	1.3
210.06641	1.3
211.07443	1.2
212.08195	1.0
219.10103	5.5
221.05917	4.5
221.09535	4.5
222.06662	1.2
223.07448	3.9
224.08269	0.9
225.09032	3.8
227.10593	12.1
233.09683	0.9
237.09036	1.5
241.12004	0.9
249.08961	1.4
253.08553	3.9
253.12166	7.1
255.10080	12.5
256.10718	0.8
265.08401	1.4
267.10065	1.5
269.07983	1.3
269.11621	1.2
272.10394	0.9
281.11594	3.2
285.11099	8.0
287.12732	21.0
293.11710	1.1
297.11148	4.3
299.12720	3.7
311.12726	11.1
313.14282	20.2
325.14142	1.4
331.15332	57.6
332.15549	1.2
343.15402	7.9
417.81326	0.7
503.02145	1.1
516.08990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42474	0.3
54.71365	0.3
54.81432	0.4
55.01859	0.7
57.03437	2.9
60.60605	0.3
61.02895	0.6
64.72794	0.3
65.03942	0.4
67.05491	0.5
67.94887	0.4
69.03403	1.8
69.07043	0.5
73.02887	4.9
79.05486	2.7
81.03383	0.7
81.07018	1.9
85.02890	2.3
91.05457	8.0
93.07014	2.3
94.04165	0.9
95.04926	0.7
95.08590	0.8
97.02888	0.4
103.05443	7.3
105.06990	2.3
107.04940	3.3
107.08562	1.4
109.02847	0.5
109.06484	2.0
109.10149	0.8
115.05427	2.0
117.07024	2.8
119.04918	15.2
119.08546	0.4
121.06493	3.5
122.03606	5.6
123.08056	2.8
128.06172	0.6
129.06946	2.8
131.04893	11.7
131.08533	1.8
132.05643	0.4
133.06465	2.2
135.08031	2.4
136.05225	0.4
137.05954	100.0
143.04913	1.7
145.06473	1.9
146.03616	0.5
147.04390	56.2
147.08018	0.9
148.05019	0.5
149.05952	1.7
149.09607	0.8
151.03920	0.8
151.07521	30.2
157.06474	1.9
158.07211	0.5
159.08043	0.7
160.05214	0.8
161.05943	19.3
161.09535	2.8
162.06714	0.8
163.07512	21.8
163.35086	0.5
165.05455	1.6
165.06918	1.2
165.09088	2.0
166.07886	0.4
171.07977	0.4
174.06731	1.8
175.07515	9.6
177.09073	31.4
179.08453	0.4
181.06557	0.6
182.07159	0.4
187.07486	0.9
189.06873	0.4
189.07274	0.5
189.09070	7.9
191.06949	0.4
191.08568	0.9
193.06465	0.9
194.07281	2.0
194.93413	0.4
195.08191	1.5
195.10104	12.6
196.08844	0.4
201.09003	0.4
203.07019	3.8
205.06554	2.6
205.08350	0.5
207.08037	1.7
207.10161	4.4
209.05829	0.7
209.09567	0.6
210.06792	0.9
218.07310	1.4
219.08043	3.1
219.10158	4.2
221.05959	2.3
221.09546	1.4
221.11676	4.2
222.06728	1.6
223.07541	0.7
224.08273	1.6
225.09033	2.1
227.10519	0.4
231.08034	0.6
233.05943	0.8
233.09535	0.6
234.06778	1.6
235.07520	2.2
236.08359	0.6
237.09061	6.5
239.07114	0.6
239.10634	0.9
241.08521	0.6
245.09608	0.7
246.06697	0.5
247.07555	1.3
249.09027	3.7
250.06233	1.8
250.09903	0.7
251.07028	0.8
251.10602	2.2
252.07668	1.3
253.08481	2.9
254.09229	0.5
255.10202	0.9
261.09018	0.6
262.06335	0.7
263.07159	0.5
263.10379	0.4
264.07712	0.8
265.08539	11.9
265.11545	0.6
266.09238	2.1
267.10049	4.4
268.07346	0.7
269.08054	2.2
269.11942	0.4
277.08566	4.0
277.11334	0.5
278.09363	0.7
279.10086	6.1
281.08209	1.4
281.11737	1.9
282.08841	0.8
283.09567	3.7
284.10355	0.5
285.11148	6.2
291.10117	0.7
293.11719	1.6
295.09961	1.4
295.13348	1.5
296.10522	0.6
297.07693	0.5
297.11160	15.0
299.12790	2.9
305.11591	0.6
309.11096	3.4
310.95142	0.3
311.12759	12.2
313.14307	0.6
317.13867	3.1
323.12653	2.2
325.14206	0.5
327.12045	0.7
327.15662	0.6
337.14297	0.7
341.14160	0.7
343.15384	9.2
355.15439	2.9
371.18820	0.5
429.17007	0.9
459.17984	0.7
461.19464	9.3
473.19400	0.5
479.20569	17.1
491.20590	10.4
493.22128	8.0
509.21445	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	688.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82805	0.1
65.03928	0.6
69.03397	0.2
79.05444	0.2
81.03397	0.8
81.07062	0.1
85.02905	0.4
91.05454	9.7
93.07030	0.2
95.04948	0.3
100.60542	0.1
103.05445	2.7
115.05415	0.2
117.06964	1.1
119.04914	33.0
121.06492	0.7
122.03596	0.6
123.08048	0.2
129.06966	0.1
131.04892	7.5
133.06491	0.2
135.08061	0.2
137.05946	8.8
143.08540	0.3
145.06384	0.2
147.04381	100.0
148.04716	0.6
149.05920	0.2
151.07516	2.9
161.05957	0.2
162.06721	0.8
163.07497	16.8
165.05437	1.0
171.07988	0.2
175.07491	1.4
176.32326	0.1
177.09067	50.1
187.07487	0.6
195.10143	1.6
203.10657	0.7
203.12715	0.1
221.11674	10.6
229.08443	0.3
291.08612	0.3
309.09659	2.2
345.16772	0.6
435.17868	0.2
453.18787	0.6
462.85016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01870	0.3
55.05513	0.3
57.03428	0.3
61.02906	0.3
65.03894	0.3
67.05479	0.4
69.03425	1.5
69.07045	0.3
73.02901	1.1
75.30686	0.2
76.38680	0.2
79.05474	2.1
81.03403	2.0
81.07031	1.2
85.02893	2.1
89.03901	5.3
91.05464	1.7
93.07040	0.9
95.04935	0.5
95.08581	0.4
97.02885	0.5
103.05457	3.7
105.06976	0.8
107.04946	3.7
107.08600	0.4
109.02859	0.5
109.06554	0.4
117.03362	8.9
117.07006	1.5
119.04930	2.9
119.08527	0.5
121.06504	0.9
122.03642	1.0
123.04402	0.3
123.08052	0.6
123.11770	0.2
123.15952	0.2
127.03891	0.4
129.79752	0.2
130.20657	0.2
131.04912	10.3
131.08566	0.3
133.06427	0.3
135.04398	23.2
135.08017	0.5
137.05962	14.3
143.08563	1.1
145.02837	16.5
145.06474	0.4
147.04396	9.1
147.08060	0.4
148.04788	1.2
151.07539	4.8
161.05942	1.6
162.06721	1.4
163.03880	100.0
163.07513	17.7
164.04141	0.3
167.07047	0.2
171.08052	0.9
175.07524	6.1
175.11180	0.3
176.07884	1.2
177.09084	58.5
178.06190	0.3
178.09363	0.3
181.04944	1.3
181.08533	0.5
187.07474	0.3
188.08342	0.4
189.09055	0.3
191.07013	0.4
193.08543	0.4
195.10156	3.0
201.09035	0.3
203.10667	1.9
204.10995	0.2
215.06999	0.3
219.10112	0.3
221.09549	0.4
221.11700	10.1
229.08557	0.3
229.41975	0.2
244.52260	0.3
307.08081	0.9
325.09149	3.1
375.17987	2.7
376.18265	1.5
449.38516	0.2
692.24390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59822	0.1
53.03941	0.2
57.03419	0.1
59.71064	0.1
63.02351	0.3
69.03411	1.3
69.07053	0.1
71.04976	0.1
79.05451	1.0
81.03404	2.4
81.07034	0.2
85.02894	2.4
89.03893	4.5
91.05457	0.2
93.07024	0.2
95.04942	0.2
95.08608	0.1
97.02880	0.7
99.04451	0.2
103.05434	1.2
104.01717	0.1
104.23329	0.1
107.04939	2.4
109.02863	0.7
111.04398	0.1
115.05455	0.2
115.52180	0.1
117.03356	8.2
117.07020	0.7
119.04929	0.3
119.08573	0.1
122.03658	0.5
123.08022	0.1
127.03900	0.5
130.42807	0.1
131.04909	3.7
132.24129	0.1
133.06433	0.2
135.04390	22.1
137.05959	5.1
143.08504	0.2
145.02829	16.8
145.79095	0.1
151.07544	1.5
162.06772	0.2
163.03871	100.0
163.07487	7.1
164.04189	0.6
171.08012	0.1
175.07558	0.8
177.09067	20.9
181.04918	2.0
187.07431	0.2
195.10078	0.9
201.09079	0.1
203.10585	0.2
221.11685	3.4
229.08484	0.1
270.09225	0.1
307.08151	1.2
316.97543	0.1
325.09100	3.9
422.01550	0.2
512.75543	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	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
53.03936	1.0
54.81620	0.4
55.05503	15.4
57.03172	0.9
57.03429	14.0
57.07067	2.9
59.04985	3.2
61.02919	5.4
65.03925	2.0
67.05494	100.0
69.03418	3.0
69.07052	8.6
71.04967	4.0
71.08649	0.5
73.02905	1.1
77.21133	0.5
79.05002	0.8
79.05472	22.9
81.03395	0.8
81.07038	43.9
83.04961	1.1
83.08605	8.0
85.02894	4.8
85.06541	3.3
87.84713	0.4
91.03943	2.4
91.05460	15.9
92.09344	0.5
93.07024	30.0
95.04949	4.3
95.08587	28.1
95.09198	0.9
97.02885	3.2
97.06508	1.2
97.10141	1.8
104.90537	0.4
105.07007	10.5
107.08578	17.2
109.06526	2.4
109.10140	70.6
111.08076	3.8
117.06984	3.8
119.08553	11.5
121.06496	0.6
121.10125	12.4
123.08047	0.6
123.11726	3.0
125.09624	0.8
129.06984	0.7
131.08569	7.1
133.10094	5.5
135.08014	0.9
135.11656	7.2
137.09654	3.1
141.06920	0.5
143.08614	0.6
144.09203	0.5
145.06523	0.6
145.10124	6.1
146.87924	0.5
147.11655	3.9
149.13205	3.8
153.09201	0.6
155.10669	2.5
157.10185	0.5
159.11635	4.4
161.09605	0.8
161.13260	2.9
163.11177	0.6
163.14725	1.6
171.11708	0.9
173.11766	13.5
173.13271	3.1
173.41202	0.5
175.14847	0.7
187.14842	1.0
192.93428	0.5
199.13115	0.6
199.14932	0.6
201.16408	1.0
227.12823	0.9
229.14319	48.4
243.21185	3.1
261.22049	11.1
301.05835	0.6
317.25031	0.7
335.25726	47.9
489.35629	44.5
507.36948	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.8
53.03940	1.1
54.32989	0.7
54.65885	0.7
55.01873	1.1
55.05505	12.7
57.03435	12.3
57.07057	0.7
59.04988	4.3
61.02911	4.7
63.81083	0.7
65.03944	1.0
67.05495	100.0
69.03407	1.9
69.07053	10.0
70.76420	0.7
71.04980	1.2
73.02916	1.0
76.67953	0.7
78.50859	0.8
79.05477	21.1
81.03386	1.2
81.07046	40.2
82.10381	0.8
83.08610	9.2
85.02892	4.3
85.06522	4.2
91.03932	1.2
91.05459	15.7
92.08624	1.3
93.06427	0.9
93.07025	29.2
95.04943	5.2
95.08588	29.5
97.02868	3.2
97.06496	1.6
97.10168	1.2
105.07023	13.1
107.04927	0.8
107.08585	17.4
107.50320	0.8
109.06499	1.6
109.10149	69.0
111.08108	1.6
117.07012	4.0
119.08559	14.5
121.10118	11.8
123.08065	0.9
123.11695	1.3
131.08553	6.3
133.10130	6.6
135.11658	6.8
137.09610	3.2
137.13220	0.8
143.08578	1.2
145.10114	5.8
147.11690	5.3
149.13271	1.5
155.10619	1.7
157.10139	3.5
159.08002	0.8
159.11667	4.1
161.13248	1.5
163.14856	1.0
173.11740	14.7
173.13191	3.4
199.14789	1.1
201.16396	0.9
227.12843	1.7
229.12035	1.9
229.14311	59.0
243.21135	1.3
247.19788	0.8
261.22058	12.5
309.97485	0.9
317.24829	1.2
335.25778	42.6
335.29816	1.5
389.11063	1.1
464.72552	0.8
487.89529	0.9
489.35687	26.0
507.37036	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	683.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45906	0.5
57.66512	0.5
58.84274	0.6
81.07053	1.2
92.08663	1.2
93.07039	2.6
95.08632	0.7
103.87055	0.6
105.02592	0.6
107.08591	0.9
119.08562	0.7
120.08245	0.6
135.11678	0.7
158.56215	0.6
158.77245	0.8
201.05177	6.0
216.07559	100.0
217.08290	2.8
275.16376	0.8
345.53076	0.7
353.20807	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	685.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88895	1.9
70.03301	2.0
70.87178	2.2
73.47463	2.0
92.09318	3.7
100.82702	2.2
105.07056	2.2
184.93369	2.6
188.93082	2.4
191.76593	2.3
218.90482	2.7
299.65714	2.2
319.90942	2.4
355.33707	2.6
412.50238	2.2
526.90112	2.6
597.59888	2.4
685.43390	100.0
685.54913	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	686.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
68.25712	0.3
71.04984	11.3
73.02888	0.5
75.04433	0.4
79.05493	0.7
81.07037	0.7
82.83050	0.5
83.04958	0.6
85.02895	12.9
91.05490	3.2
93.07033	1.8
95.04924	0.7
95.08587	0.6
97.02838	0.5
99.04431	0.7
103.05452	7.4
105.07007	0.8
107.04926	0.8
107.08575	0.8
109.06499	0.8
111.04448	0.6
115.05442	0.5
117.06962	2.4
119.04926	1.9
119.08531	0.4
121.06477	1.0
121.10091	0.4
122.03634	0.9
123.08076	0.8
128.06169	0.4
129.05487	1.5
129.06969	0.6
131.04918	19.3
133.06482	0.6
133.09984	0.6
135.08078	1.4
137.05965	28.6
143.04875	0.6
143.08566	0.8
145.06532	0.9
147.06482	0.6
149.05957	1.0
149.09517	0.4
149.13121	0.5
151.03975	0.5
151.06410	0.8
151.07535	14.4
157.06430	0.6
161.05949	4.3
162.06726	2.6
163.07523	33.3
165.09010	0.5
171.08067	0.7
173.05894	0.5
175.07550	6.1
177.09088	100.0
179.06909	0.5
179.08553	0.4
189.09053	3.9
190.66972	0.4
195.08144	1.4
195.10150	3.1
203.07065	0.5
203.10640	0.9
203.23239	0.5
207.10155	0.6
211.07593	0.5
219.10153	0.7
221.05977	0.5
221.09576	0.6
221.11696	12.0
223.07553	0.7
225.09052	0.6
227.10570	2.6
237.09109	0.9
250.09747	0.4
253.08566	0.7
253.12260	0.9
255.10178	3.6
259.07645	0.5
265.08517	0.7
281.11603	0.5
285.11060	1.0
287.12878	3.2
299.12817	0.8
311.12814	3.1
313.14276	2.9
331.15356	12.7
343.15274	2.8
345.16870	0.9
355.35281	0.5
367.15311	2.0
385.16272	1.0
423.18378	0.5
440.51129	0.5
441.18750	0.8
665.02191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12910	0.4
53.00294	1.0
56.63285	0.5
57.07070	52.6
59.48100	0.4
60.93320	0.4
66.21978	0.4
67.21409	0.4
80.10054	0.4
83.32877	0.5
87.64911	0.4
89.98733	0.5
91.05467	4.8
91.53342	0.4
105.06976	1.6
108.87769	0.4
119.08575	0.8
135.24617	0.4
147.11656	6.4
153.06964	0.9
184.41241	0.5
205.62811	0.5
233.03642	3.5
251.04649	14.2
260.07864	0.5
307.10812	1.1
327.07748	100.0
383.13980	40.8
384.14679	0.5
439.20248	73.3
440.20346	0.7
495.26495	63.0
496.26929	0.9
551.32629	21.2
607.39038	44.4
663.45288	47.7
664.46167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33525	0.5
70.19572	0.5
85.02897	2.4
85.06509	0.5
97.02856	0.7
98.97550	0.7
103.03892	0.7
139.88632	0.6
145.08591	1.4
167.06854	1.0
198.62560	0.6
237.02917	0.7
243.25566	0.8
245.09842	0.7
316.11743	0.6
329.08954	1.3
329.12018	83.9
377.14117	100.0
378.14435	1.4
384.49533	0.6
481.04437	0.7
657.32361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05505	4.3
57.03424	2.5
57.07056	0.4
59.04993	2.7
61.02913	1.6
61.61031	0.4
67.05481	1.4
69.03410	3.6
71.04962	0.5
73.02896	2.2
79.05479	0.7
81.03400	0.7
81.07034	3.8
83.04984	0.4
83.08606	9.1
85.02357	0.5
85.02890	29.1
85.06528	31.0
91.03915	0.5
97.02869	4.9
98.97549	0.3
99.04436	0.4
101.05985	2.3
103.03921	83.1
109.02837	1.4
109.06501	3.3
115.03895	1.8
127.03893	5.0
127.07528	25.1
133.04922	1.5
139.07422	0.4
145.04938	7.1
145.08575	100.0
146.08940	0.5
163.05956	2.3
223.11674	2.9
295.10150	0.6
307.13800	13.0
334.88708	0.4
413.08618	0.4
527.30615	0.4
662.94617	0.4
699.25317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03925	0.5
55.05499	1.7
57.07069	6.4
64.12292	0.2
67.05495	5.5
69.03421	0.3
69.07064	5.9
71.04935	0.3
77.03857	0.3
79.05481	7.4
81.07041	100.0
82.07382	0.5
83.08615	0.5
91.05479	1.5
93.07028	4.0
95.04966	0.5
95.08588	34.7
103.05481	0.5
105.07018	2.4
107.04941	1.3
107.08601	2.1
108.09325	0.3
109.06492	0.6
109.10165	3.7
119.08598	1.2
121.06516	0.4
121.10136	0.3
131.08513	0.3
133.10121	1.1
135.08069	1.5
135.11633	0.5
137.13235	33.0
142.07808	0.3
147.11720	0.3
148.05154	0.3
149.47150	0.3
154.06227	4.1
154.15945	0.5
160.12173	0.3
161.09518	0.3
163.07521	3.7
180.07816	1.1
195.10153	6.9
201.16493	0.4
251.00063	0.3
267.75156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61467	1.8
52.88513	1.9
53.03941	3.9
55.01874	9.1
55.05513	21.4
57.03433	11.8
57.07076	4.8
61.16771	1.9
65.03947	2.0
67.05496	28.8
69.03423	9.3
69.07059	49.7
71.04996	2.0
71.48088	2.3
76.55853	2.6
79.05478	21.2
81.07041	100.0
83.01332	3.8
83.04950	8.1
83.08621	18.3
83.09029	2.0
85.02919	15.5
85.06555	4.2
91.05477	12.8
93.07029	49.0
95.04943	8.8
95.08591	69.6
97.06533	14.1
97.10153	5.5
105.07021	21.9
107.08580	44.8
109.02869	4.7
109.06497	9.5
109.10146	39.3
111.04405	19.7
111.08057	10.1
111.11708	3.7
119.08557	16.4
121.06517	5.2
121.10126	21.8
123.04423	11.6
123.08054	12.2
123.11674	31.2
125.05945	10.5
125.09634	2.4
127.03898	9.4
131.08591	9.2
133.10139	14.0
135.04433	9.2
135.08035	5.2
135.11665	21.3
137.05945	15.9
137.13248	12.8
139.03951	14.9
139.07506	24.7
141.05441	4.7
143.08621	2.6
145.10211	6.6
147.04422	3.2
147.11703	11.5
149.09596	3.6
149.13228	34.7
151.07559	27.3
153.05444	44.0
159.08075	3.1
159.11699	5.4
161.13228	4.1
163.07585	3.6
163.11208	4.1
163.14813	4.5
165.05441	49.5
165.06702	3.4
165.09149	4.8
167.06998	61.5
171.06506	43.3
171.11736	2.9
173.13335	3.5
177.09103	4.6
177.12808	2.4
177.16397	2.4
183.06516	4.7
187.11156	4.3
187.56360	2.3
189.09087	3.1
189.12683	3.2
191.10718	10.9
201.13081	2.8
203.10873	2.5
205.08620	2.4
205.12141	3.5
229.12321	2.2
257.15433	2.6
289.17828	4.2
291.26883	3.5
300.63834	2.4
301.90570	2.6
307.19040	4.8
309.20627	2.3
358.59897	2.4
399.28665	3.5
417.30020	9.2
425.30444	5.3
426.30832	2.6
435.30673	3.7
443.11575	2.6
443.31656	24.7
453.32104	5.5
461.32587	39.6
479.33627	30.1
497.34726	29.3
515.35742	19.9
677.24969	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	0.7
53.03933	2.0
55.01860	0.8
55.05258	1.4
55.05502	20.1
56.99771	0.7
57.03431	8.1
57.07062	3.9
61.02913	25.6
65.03925	1.4
65.14404	0.7
67.05493	92.3
69.03413	3.3
69.07057	17.7
71.04977	3.6
71.08625	1.0
71.24354	0.7
73.02914	7.7
75.04460	1.3
79.05476	58.5
81.03405	1.0
81.07039	100.0
83.04974	1.5
83.08184	0.8
83.08582	7.0
85.02892	22.8
85.06537	1.5
91.03941	18.0
91.05461	31.9
93.07023	68.0
94.07370	1.3
95.04955	4.4
95.08582	75.6
97.02878	10.2
97.06505	3.2
97.10168	3.7
99.04472	0.9
99.08090	1.4
105.04538	0.9
105.07003	23.8
107.08577	45.7
109.06491	1.1
109.10140	37.9
111.08090	1.2
113.09726	0.9
115.03922	1.4
117.06992	12.2
119.03693	0.9
119.08567	23.1
121.10123	39.4
121.78600	0.8
123.08056	3.3
123.11668	16.4
125.09605	1.0
127.03876	5.9
129.06958	1.1
131.08531	26.1
133.10101	16.0
135.11668	25.8
137.09576	1.6
137.13252	6.2
139.11153	1.0
145.04974	5.2
145.10092	17.7
147.11671	12.3
149.13237	20.5
151.11194	1.3
151.14787	1.0
153.12773	1.1
159.11665	13.7
161.13246	11.1
163.06038	6.6
163.11156	1.2
163.14784	10.4
165.12759	1.0
173.13220	14.3
175.14847	3.1
177.16342	4.6
179.14311	1.1
187.14806	7.7
201.16357	3.3
233.22539	2.0
243.21042	20.4
261.22083	65.2
263.23593	1.3
279.23157	3.7
317.24786	1.1
335.25726	22.1
353.26761	29.7
405.26425	1.0
497.30914	5.5
633.72498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08597	0.8
53.00294	1.3
55.05503	15.5
57.03172	1.3
57.03430	23.7
59.04978	4.8
64.46321	0.7
65.60969	0.7
66.69149	0.8
67.05491	10.8
69.03419	67.3
69.07043	4.2
71.04979	15.7
73.02892	3.9
75.04453	1.8
75.89164	0.8
79.05467	4.7
81.03381	3.7
81.07040	48.5
83.04964	1.6
83.08602	17.7
85.02894	61.2
85.06528	7.0
87.03940	1.7
87.04453	42.2
91.05460	4.3
93.07018	5.9
95.04942	1.8
95.08591	11.7
97.02875	82.6
99.04423	4.7
103.03893	1.0
105.07010	10.2
107.08595	9.1
109.02848	3.2
109.06508	1.8
109.10124	3.1
111.04424	1.1
111.08041	1.1
113.05984	6.3
115.03915	69.6
119.04926	1.8
119.08565	2.0
121.10127	12.3
123.04397	1.0
123.08043	1.3
123.11687	100.0
127.03874	9.2
131.04955	1.0
133.04948	48.0
137.05962	2.1
137.13220	5.5
139.03857	1.2
145.02869	1.2
145.04927	10.9
146.40417	0.9
147.04402	8.7
147.11679	19.2
151.03976	1.0
151.07486	5.3
152.94807	0.9
160.83618	0.9
163.03891	1.4
163.05974	4.5
165.09142	0.9
165.12697	19.7
169.04861	1.2
177.09097	5.8
181.04840	1.0
183.13774	57.1
241.07037	1.2
248.02553	0.9
259.08020	8.9
277.09067	3.6
279.23029	1.6
295.10205	12.3
325.11197	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	676.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
54.22157	1.1
55.01619	0.9
55.01863	4.3
55.05509	24.1
55.53342	0.8
57.03432	21.0
57.07063	1.9
58.73515	0.9
61.02910	6.3
67.05499	53.3
69.03414	4.3
69.07058	20.1
71.04973	6.6
73.02896	2.3
79.05480	42.7
81.02930	2.3
81.03407	56.9
81.07044	72.9
83.04974	19.6
83.08612	31.2
85.02894	26.9
85.06536	2.7
91.05464	41.4
93.07031	57.0
95.04956	26.3
95.08581	23.3
97.02858	5.9
97.06517	11.7
97.10145	4.9
99.08044	2.3
105.07020	25.0
107.04945	5.8
107.08578	28.5
109.06509	7.3
109.10149	6.3
111.08059	11.7
113.05963	1.7
117.07020	7.2
119.08562	17.8
119.72765	1.0
121.06475	2.4
121.10123	20.7
123.08070	4.3
123.11691	2.6
125.09517	1.3
126.10013	1.0
129.06981	10.5
131.08562	19.1
133.06490	1.9
133.10121	16.1
135.08052	1.4
135.11693	6.4
137.09579	1.2
142.07774	1.9
147.07973	1.3
147.11696	16.4
149.09625	7.6
149.13257	16.9
151.11162	1.5
157.10086	14.6
159.11678	9.3
165.12735	1.9
175.11111	13.7
176.16675	1.0
177.12700	2.3
193.12224	34.8
195.13760	6.7
211.13274	33.7
227.21159	1.2
267.15878	20.2
269.17426	44.5
285.16901	34.4
390.68115	1.1
461.28931	51.8
479.29990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.1
53.51403	0.2
54.51656	0.1
57.03417	0.2
58.95334	0.2
59.28152	0.2
65.03917	0.2
65.66533	0.2
69.03416	1.3
69.07034	0.2
73.51305	0.1
77.00842	0.2
79.05463	0.3
81.03390	2.3
81.07034	0.4
85.02892	2.1
87.99439	0.2
91.05463	7.2
93.07011	0.3
95.04913	0.3
95.08591	0.3
97.02890	0.7
98.97575	0.2
99.04417	0.3
103.05434	1.0
105.07020	0.3
107.04956	0.2
107.08513	0.2
109.02842	0.8
117.06952	0.7
119.04919	24.7
123.04433	0.4
127.03877	0.3
131.04913	2.8
133.06447	0.3
137.05942	3.4
147.04387	100.0
148.04723	0.7
151.07495	1.5
161.05858	0.2
162.06676	0.4
163.06261	0.3
163.07521	5.4
165.05440	2.7
167.33698	0.2
175.07516	1.0
177.09068	17.8
187.07616	0.2
189.09123	0.2
191.06993	0.3
195.10072	0.7
202.76895	0.2
221.11755	2.2
223.41922	0.2
237.46565	0.2
289.35684	0.2
291.08624	1.1
309.09506	4.1
366.76025	0.2
403.01532	0.2
568.43518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
53.03908	0.5
55.01852	0.4
55.05306	0.4
55.05508	6.8
57.03428	6.7
57.07071	73.4
61.02919	26.3
63.81432	0.4
65.03927	0.5
67.05496	14.6
69.03422	2.6
69.07059	11.3
71.04981	0.7
71.08617	51.8
73.02900	10.8
73.85803	0.4
75.04467	2.7
79.05453	1.5
79.83750	0.5
81.03377	0.9
81.07042	25.5
83.08611	17.5
85.02892	29.2
85.06531	1.0
85.10170	30.7
88.09540	0.4
88.40841	0.4
89.06008	2.0
90.19760	0.4
91.03395	0.9
91.03941	22.7
91.05478	0.7
93.07028	3.2
95.08587	37.4
97.02873	12.0
97.10148	9.6
99.04422	2.1
99.11693	2.3
101.02362	0.7
105.06956	0.6
107.08607	1.0
109.02872	0.6
109.09400	0.6
109.10145	18.2
111.11690	2.5
113.13248	0.6
115.03909	0.7
123.11675	7.8
123.51291	0.5
125.13293	0.9
127.03913	6.7
133.10197	0.6
137.13220	2.9
145.04950	7.0
145.10045	0.7
152.17183	0.5
161.86833	0.5
163.05994	9.8
165.16425	0.5
191.95856	0.7
221.22688	1.0
239.23654	20.0
257.24756	6.1
313.27325	100.0
314.27557	2.0
331.28378	50.2
360.12796	0.5
435.64917	0.5
475.32391	0.8
651.34442	0.8
686.27155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.0
53.03929	0.1
57.03418	0.1
61.02904	0.1
61.60088	0.1
65.03915	0.6
69.03418	1.0
72.75000	0.1
79.18069	0.1
81.03397	2.2
85.02889	1.5
89.70181	0.1
91.05455	6.9
94.04218	0.1
95.04951	0.1
97.02862	0.5
97.74065	0.1
99.04435	0.3
99.53623	0.1
103.05441	1.0
105.07028	0.1
107.04920	0.1
109.02862	0.8
115.05424	0.1
117.06993	0.3
119.04911	24.6
121.06435	0.1
122.03627	0.1
123.08020	0.1
127.03883	0.2
128.06197	0.1
131.04889	2.5
137.05943	2.6
143.08542	0.3
145.06387	0.1
147.04379	100.0
148.04729	0.4
151.07535	1.0
162.06708	0.4
163.07492	4.6
165.05440	2.6
169.06458	0.1
171.08026	0.1
175.07478	0.6
177.09062	14.5
187.07542	0.3
195.10056	0.4
203.10570	0.1
203.86943	0.1
207.06421	0.1
221.11691	2.2
273.07498	0.1
291.08566	1.5
309.09607	4.3
351.03662	0.1
453.18488	0.1
508.72684	0.1
599.21576	0.1
622.11279	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	671.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.1
53.51403	0.2
54.51656	0.1
57.03417	0.2
58.95334	0.2
59.28152	0.2
65.03917	0.2
65.66533	0.2
69.03416	1.3
69.07034	0.2
73.51305	0.1
77.00842	0.2
79.05463	0.3
81.03390	2.3
81.07034	0.4
85.02892	2.1
87.99439	0.2
91.05463	7.2
93.07011	0.3
95.04913	0.3
95.08591	0.3
97.02890	0.7
98.97575	0.2
99.04417	0.3
103.05434	1.0
105.07020	0.3
107.04956	0.2
107.08513	0.2
109.02842	0.8
117.06952	0.7
119.04919	24.7
123.04433	0.4
127.03877	0.3
131.04913	2.8
133.06447	0.3
137.05942	3.4
147.04387	100.0
148.04723	0.7
151.07495	1.5
161.05858	0.2
162.06676	0.4
163.06261	0.3
163.07521	5.4
165.05440	2.7
167.33698	0.2
175.07516	1.0
177.09068	17.8
187.07616	0.2
189.09123	0.2
191.06993	0.3
195.10072	0.7
202.76895	0.2
221.11755	2.2
223.41922	0.2
237.46565	0.2
289.35684	0.2
291.08624	1.1
309.09506	4.1
366.76025	0.2
403.01532	0.2
568.43518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31809	0.1
54.23283	0.1
65.03925	0.6
68.06347	0.1
69.03419	0.7
81.03413	0.9
85.02881	0.8
91.05460	10.0
92.08694	0.3
94.04179	0.1
97.02887	0.2
103.05449	3.3
105.07002	0.2
107.04945	0.6
108.35730	0.1
109.02840	0.1
112.02236	0.1
115.05444	0.3
116.06208	0.2
117.06982	1.4
119.04916	32.8
121.06470	0.7
122.03632	0.3
123.04409	0.1
123.08032	0.7
128.06152	0.3
131.04898	7.6
131.05881	0.3
133.06528	0.1
135.08028	0.5
137.05946	9.0
143.08580	0.6
145.06491	0.5
147.04385	100.0
148.04758	0.7
149.09656	0.2
151.07507	3.4
159.08008	0.1
161.05978	0.3
162.06691	1.1
163.07504	15.0
165.05466	1.6
167.04588	0.2
169.06387	0.2
171.07968	0.2
175.07509	1.7
177.09070	50.6
178.09409	0.3
187.07539	0.7
189.05440	0.1
189.08788	0.2
195.10126	1.9
203.10634	0.3
219.10207	0.2
221.11690	7.6
229.08502	0.2
291.08411	0.3
299.12723	0.2
304.41074	0.1
309.09531	2.1
345.16708	0.2
355.15341	0.2
397.16049	0.2
453.19153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45818	0.1
53.00267	0.1
53.03937	0.3
54.81855	0.1
57.03428	0.2
63.92683	0.1
65.03928	0.6
66.17110	0.1
67.05482	0.1
67.19205	0.1
69.03424	1.1
69.07047	0.3
79.05477	0.3
79.78608	0.1
81.03404	2.1
81.07040	1.0
83.08606	0.1
85.02888	1.9
91.05466	7.1
92.08778	0.6
93.07013	0.4
95.08590	0.9
96.86046	0.1
97.02881	0.3
99.04456	0.2
103.05453	0.9
105.06999	0.7
107.04951	1.0
107.08609	0.2
109.02871	0.6
109.10175	0.6
111.34119	0.1
115.42393	0.1
117.07000	0.2
119.04923	25.6
121.06493	0.6
122.03629	0.9
123.04396	0.5
123.11674	0.2
127.03889	0.1
129.06953	0.2
131.04898	1.9
133.06502	1.2
135.08006	0.7
137.05960	10.2
141.06941	0.1
145.06480	0.8
147.04395	100.0
148.04803	0.3
149.05911	0.2
151.07549	1.6
152.64468	0.2
154.07681	0.1
155.89064	0.2
157.06480	0.2
159.08005	0.2
161.05925	2.0
161.09564	0.3
162.06706	0.2
163.07513	3.3
165.05463	2.9
165.09129	0.3
169.06339	0.2
174.06625	0.2
175.07513	1.3
176.30888	0.1
177.09084	6.5
189.09088	0.9
189.30070	0.1
191.10666	0.2
195.08099	0.2
195.10135	0.3
201.09087	0.2
203.06989	1.7
203.10693	0.2
207.10147	0.5
219.08075	0.2
219.10071	1.1
221.09776	0.2
221.11754	0.8
249.09067	0.2
251.43184	0.1
263.10822	0.2
265.08453	0.2
281.11636	0.6
291.08530	1.0
295.13174	0.7
297.11234	0.2
299.12943	0.2
309.09592	3.3
311.12689	0.3
327.15851	0.9
493.21912	0.3
493.28598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05468	0.2
53.03929	0.5
54.26654	0.2
55.01862	0.5
57.03426	1.9
61.02911	2.3
63.95475	0.2
65.34531	0.2
69.03419	4.8
71.04957	1.0
73.02881	1.4
78.52384	0.3
79.05478	0.3
81.03392	1.7
81.07048	0.3
81.41103	0.2
83.05366	0.2
85.02889	25.7
87.04443	0.6
87.91305	0.2
91.03905	1.2
91.05466	0.4
93.06992	0.4
95.08580	0.3
97.02872	7.1
99.04414	1.2
105.07022	0.4
109.02847	2.4
115.05473	0.3
121.06535	0.3
127.03909	4.2
135.04355	0.2
145.04936	5.0
155.08531	0.5
163.05939	1.7
165.06985	1.5
166.07780	0.3
168.05736	0.4
179.08571	1.1
180.09192	0.3
181.06532	0.4
182.07173	0.4
183.08014	1.4
185.05992	0.3
192.09320	1.5
193.06448	1.2
194.07170	1.4
195.08012	1.3
196.05145	3.7
197.05962	4.5
197.09566	0.5
201.09183	0.4
202.07733	0.4
205.06395	0.4
206.07228	1.0
207.04379	13.8
207.07945	2.0
207.11659	1.5
208.08806	0.5
209.09575	0.5
210.06729	1.3
211.07504	10.5
213.05406	0.4
217.10033	0.5
219.07961	0.6
220.08830	2.2
221.05939	5.4
221.09476	0.4
222.06813	2.4
223.07468	2.9
224.04707	1.1
224.08223	0.6
225.05486	0.4
225.09059	4.8
226.09888	2.8
227.07086	0.3
228.07892	0.4
230.05661	0.4
234.06738	0.9
235.07414	1.1
235.11107	4.1
236.08327	0.3
237.09015	2.1
238.09711	0.3
239.06982	43.5
240.07242	0.3
242.05682	6.4
243.10172	1.3
247.68529	0.3
248.08290	2.4
250.23309	0.3
251.06894	0.6
251.10645	0.5
253.08533	6.0
254.09309	11.9
255.10036	1.7
256.07181	0.5
257.08026	51.9
263.10617	9.0
265.08578	0.5
266.09372	0.5
267.10037	0.5
267.13715	1.2
269.11667	0.4
271.06622	0.6
271.09583	19.4
277.12167	0.4
283.09564	0.5
285.11130	5.5
286.11942	100.0
287.12283	1.1
295.13226	9.8
327.15823	18.4
342.13681	0.3
360.71115	0.3
410.11124	0.3
413.14832	0.3
439.89490	0.3
453.03638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	67.6
71.05091	1.1
76.27057	1.0
81.07098	1.3
86.41486	1.0
87.04448	1.8
91.05466	8.8
99.18527	1.2
101.99211	1.1
147.11659	9.2
152.06259	1.2
153.06990	5.1
161.13271	1.2
229.10065	1.3
233.03546	7.0
251.04623	18.0
284.46835	1.4
307.10812	1.8
308.95276	1.4
327.07745	100.0
380.40479	1.5
383.14014	67.2
383.18909	2.3
439.20248	74.7
495.19403	2.5
495.26404	53.1
497.12158	1.4
551.24396	2.3
551.32690	55.5
552.32526	1.8
607.39056	61.3
663.45251	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	660.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05303	0.3
55.05509	5.6
55.60514	0.4
57.03431	0.8
57.03685	0.4
59.04993	3.5
61.02916	9.5
67.05470	0.7
69.03407	0.9
79.05476	14.4
81.07039	5.0
83.08609	8.8
85.02893	18.6
85.06532	33.2
91.05504	0.5
93.07027	9.5
97.02876	1.7
97.06515	7.5
101.05976	3.5
101.63453	0.5
103.03925	85.2
109.06503	4.3
114.75446	0.5
121.06431	3.3
127.03907	1.0
127.07532	29.0
127.08472	1.0
139.03917	0.7
139.07524	47.5
145.08583	100.0
157.08583	16.1
175.09633	14.8
237.02744	0.7
250.28841	0.5
255.48036	0.5
267.14926	0.5
307.13828	17.4
330.12491	0.5
354.17554	1.9
427.97394	0.5
663.46173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01861	3.1
55.05503	7.1
57.03438	5.9
61.02921	6.2
67.05135	1.4
67.05489	31.2
67.05844	1.3
67.60426	0.7
69.03412	15.8
69.07049	10.1
71.04953	4.0
73.02897	1.8
79.05475	20.2
81.03396	6.6
81.07034	37.3
83.04955	3.8
83.08603	15.2
85.02888	70.1
85.06525	3.6
87.04450	1.3
91.03931	3.0
91.05453	23.5
93.07021	31.0
95.04928	3.5
95.08575	43.6
97.02861	18.7
97.06509	11.0
97.10147	3.7
99.04460	2.7
99.08057	4.0
105.07011	17.4
107.04952	8.9
107.08570	31.1
109.02867	5.2
109.06511	5.6
109.10138	17.0
111.08041	7.5
113.06024	1.0
117.06997	12.1
118.72488	0.7
119.08560	23.6
121.06483	7.4
121.10117	33.5
123.08055	7.9
123.11671	4.6
125.05931	3.1
125.09605	1.3
127.03894	10.4
129.06961	4.8
131.08543	31.3
133.06442	1.1
133.10109	21.3
135.08025	22.6
135.11674	10.5
137.05994	1.5
137.09586	10.7
137.13246	0.9
139.07524	3.1
139.11177	0.9
141.06917	4.0
143.08551	4.7
145.04948	7.8
145.10101	37.5
147.08038	7.8
147.11705	7.4
149.09601	41.9
149.13290	1.1
151.07539	3.1
151.11145	3.3
153.09073	3.0
155.08490	2.9
157.10034	0.9
159.11665	7.0
161.09633	1.1
161.13208	1.4
163.05983	1.1
163.11134	16.9
163.14729	1.3
165.09079	4.0
167.10699	1.1
169.10027	11.2
173.09657	0.9
173.13219	3.9
175.14899	1.1
177.05490	0.8
177.16428	1.4
181.12241	1.4
183.11681	4.1
185.13199	5.5
187.14793	30.4
201.12715	1.9
201.16331	26.0
203.14310	1.6
203.17871	3.5
205.15837	8.1
211.14774	38.2
219.17374	8.5
223.16870	16.0
229.13934	0.8
229.15822	41.7
237.18523	8.7
241.17822	5.7
247.16872	90.9
265.14981	1.3
265.17896	56.5
283.18973	100.0
301.20035	70.1
319.21075	32.5
372.06519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.1
53.03944	3.2
55.01861	2.8
55.05510	29.7
56.96537	3.4
57.03424	32.1
61.02915	4.5
65.03915	2.7
67.05492	57.0
68.02834	1.7
69.03410	8.6
69.07050	23.8
71.01328	2.6
71.04976	9.5
79.05476	68.4
81.03398	76.5
81.06592	3.0
81.07040	51.1
83.04967	26.9
83.08614	22.9
85.02895	26.6
85.06539	4.5
91.05462	48.4
91.45116	1.8
93.07022	61.8
93.13390	1.9
95.04948	34.8
95.08595	15.3
97.02834	3.1
97.06470	14.5
97.10171	15.5
105.04568	2.8
105.07029	27.5
107.04937	8.5
107.08598	39.3
109.06505	9.6
109.10142	9.1
111.08038	8.2
117.06989	7.4
119.08557	30.5
121.06496	3.9
121.10120	18.8
123.08049	2.8
123.11720	2.6
129.06970	10.5
131.08540	14.6
133.06407	2.0
133.10135	21.6
135.11673	37.7
140.40257	2.1
142.07719	2.3
145.10074	11.5
147.11687	14.8
149.09615	5.0
157.10150	15.2
163.11069	3.0
175.11154	14.9
181.12227	8.4
193.12239	34.5
206.00938	2.0
211.13248	36.9
255.15866	50.2
267.15884	27.0
285.16946	24.8
447.27283	72.0
465.28421	100.0
465.35147	3.5
521.87067	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68756	4.9
56.76401	5.9
67.05479	7.4
68.75252	5.7
69.07065	8.4
79.05459	6.5
81.07030	13.6
87.04445	27.8
87.74848	6.3
91.05466	7.2
93.07012	32.5
94.52477	6.4
95.08578	11.0
102.57344	5.6
105.06979	20.7
107.08567	33.2
109.06485	6.4
119.08575	12.3
121.10119	12.3
133.10106	7.3
144.79515	6.7
145.10085	6.2
285.08340	6.5
387.32269	6.7
422.81659	6.7
459.21722	66.0
461.23239	8.3
475.20844	26.3
519.23669	7.4
547.26733	30.8
550.62543	7.3
606.28357	100.0
622.27686	78.8
662.29425	7.4
662.44501	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	659.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.05509	2.0
57.03409	0.2
57.07074	0.4
62.80873	0.2
67.05503	4.3
69.03424	1.0
69.07063	1.9
74.29344	0.2
79.05466	1.5
81.07040	5.5
83.01319	0.6
83.04974	0.6
83.08602	0.9
85.02889	0.4
85.06536	1.4
89.94863	0.2
91.05444	0.6
92.08900	0.4
93.07039	2.5
95.04960	0.4
95.08586	12.2
97.10151	1.1
97.77707	0.2
98.89701	0.3
101.06010	0.4
105.07006	1.8
107.08596	2.2
109.06500	0.4
109.10160	4.3
111.04421	4.1
113.06037	0.3
114.36510	0.3
119.08569	1.2
121.06477	1.5
121.10148	1.7
123.08054	12.2
123.11674	2.8
125.14053	0.2
131.08548	1.3
133.10129	0.4
135.08051	5.3
135.11674	1.1
137.05940	1.3
137.09598	1.0
137.13203	1.0
143.08624	0.3
145.06503	0.3
145.10083	2.5
147.08037	0.4
147.11598	0.3
149.09579	2.1
149.13240	0.4
151.07533	100.0
151.14818	0.5
152.07898	0.4
158.07304	0.5
159.08044	2.3
159.11687	1.2
161.05995	0.5
161.09599	0.4
161.13162	0.3
163.07472	0.6
163.11162	5.6
163.14749	0.4
165.09099	9.4
172.08859	0.4
173.09581	4.1
175.07535	4.4
175.11194	0.4
176.08292	4.1
177.09087	19.9
177.12624	0.5
179.10693	0.3
187.11249	1.2
188.08229	0.3
189.09120	1.2
190.09846	1.9
191.10649	71.7
192.10986	0.5
203.10690	1.1
205.12228	28.8
217.08566	2.0
219.13850	1.8
251.23656	1.6
277.10516	0.5
309.24191	0.3
323.25751	1.0
397.30713	0.3
415.32159	2.5
425.30551	0.4
443.31528	1.2
452.43286	0.3
461.32620	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	658.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	0.5
55.05511	0.8
57.07072	10.5
58.06584	2.8
65.03924	0.8
67.05482	0.9
69.07055	0.8
70.06577	23.1
70.06960	1.1
71.08604	2.3
72.08151	0.6
79.05484	1.0
81.07043	2.7
82.13886	0.5
83.04954	0.7
85.06541	0.5
85.10175	1.8
88.07618	25.7
91.05470	2.5
93.07030	3.0
95.04929	1.0
95.08603	0.9
102.08502	0.8
102.09169	21.4
103.05414	0.6
104.10744	0.5
105.07060	1.8
107.08563	1.9
109.10129	0.6
121.10168	0.6
123.08057	0.8
131.04924	0.8
131.08553	0.7
135.08173	0.5
145.10126	0.7
147.04366	0.5
149.02332	58.2
159.11703	0.7
175.03951	1.9
177.05476	1.0
193.04942	65.1
212.23799	0.5
219.06580	0.7
222.20621	0.7
237.07556	19.9
256.26303	49.5
257.26782	0.6
269.04413	3.0
297.04028	3.4
313.06927	4.0
341.06476	11.0
359.07394	7.4
385.09161	23.1
385.13907	1.1
429.11761	29.2
658.35773	100.0
659.36389	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86281	0.1
53.03939	0.2
55.05503	2.1
57.07072	0.8
66.10377	0.2
67.05489	3.7
69.03408	0.3
69.07057	2.7
79.05462	1.3
81.03412	0.2
81.07033	5.8
81.07478	0.3
83.01324	0.5
83.04955	1.2
83.08604	0.9
85.02882	0.7
85.06535	1.0
91.05470	0.9
93.07009	2.2
95.04946	0.7
95.08582	11.2
95.09192	0.4
97.06541	0.3
97.10151	1.0
101.06040	0.6
103.05452	0.2
104.07262	0.2
105.07013	2.5
107.08570	1.8
108.05732	0.3
109.06491	0.7
109.10140	4.8
111.04421	3.7
111.11688	0.3
113.09645	0.4
117.06987	0.2
119.08544	1.2
121.06471	1.2
121.10140	1.4
121.88328	0.2
122.16459	0.2
123.04370	0.2
123.08046	11.0
123.11666	2.2
125.09605	0.3
127.11105	0.3
130.07759	0.2
131.08563	1.8
133.10103	0.3
133.17921	0.2
134.14638	0.2
135.08034	5.1
135.11659	1.2
137.05966	1.0
137.09579	1.2
137.13211	0.8
145.10106	2.1
147.07985	0.2
147.11664	0.7
149.09599	1.8
149.13284	1.0
151.07521	100.0
152.07799	0.4
155.08498	0.2
158.07198	0.4
159.08000	2.0
159.11668	1.1
161.05920	0.7
161.09583	1.1
161.13200	0.2
162.06743	0.7
163.07484	1.5
163.11160	5.0
163.14799	0.8
165.05428	0.3
165.09082	9.9
167.06952	0.3
173.09587	3.4
173.13190	0.3
175.07530	4.2
175.11098	0.8
176.08276	5.0
177.09077	20.1
177.12575	0.7
187.11102	1.4
189.09073	0.8
189.12715	0.2
190.09880	2.2
191.10634	75.8
192.10954	0.4
203.10611	1.1
205.12209	29.4
207.13857	0.3
215.10587	0.3
217.08597	2.6
219.13823	1.7
231.13771	0.3
233.22636	0.4
241.08592	0.3
251.23640	1.3
277.10590	0.9
287.05334	1.0
297.24359	0.2
309.24344	0.4
323.25934	1.4
397.30746	0.9
415.31943	3.0
425.30319	0.4
438.80136	0.3
443.31253	1.2
446.29324	0.2
461.32614	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	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64156	1.2
53.03941	12.0
54.81314	1.3
55.01873	17.5
55.05504	39.3
56.96534	1.8
57.03432	25.1
57.07073	8.2
59.04992	2.1
61.99247	1.2
65.03929	3.0
67.05497	72.8
67.05855	3.0
69.03423	43.4
69.07063	15.5
71.01346	2.8
71.04985	9.7
73.02914	10.5
76.55667	1.4
79.05477	53.9
81.03407	100.0
81.07049	51.3
83.04981	28.1
83.08618	22.6
85.02900	29.0
85.06557	2.4
91.04897	1.9
91.05465	46.0
93.07038	31.0
95.04955	35.0
95.08594	20.1
97.02882	29.1
97.06521	9.4
97.10146	13.5
99.04455	7.4
99.08127	1.5
103.71100	1.5
105.07027	30.1
107.04955	21.5
107.08576	20.5
109.02880	13.1
109.06520	8.8
109.10148	29.3
111.04462	14.0
111.08066	14.3
114.36075	1.6
115.03874	1.7
115.05444	2.2
117.07031	9.5
119.08563	28.3
121.02864	1.8
121.06512	9.4
121.10108	11.9
121.14310	1.6
123.04401	9.3
123.08070	5.9
123.11671	1.6
125.09619	13.6
127.03903	10.0
129.05444	2.7
129.06950	14.7
129.36929	1.5
131.08546	17.4
133.06500	5.6
133.10135	9.8
135.04416	3.5
135.08063	5.8
135.11699	5.7
137.09572	2.0
142.07773	2.2
143.08557	3.5
145.06494	3.2
145.10132	12.3
147.08063	2.4
147.11702	13.9
149.09642	9.8
151.07555	2.1
153.05502	2.4
153.12762	1.8
155.08534	1.8
157.10126	12.4
163.11169	9.0
165.09109	3.4
165.12735	1.8
167.08592	1.6
171.10185	1.9
171.11630	1.9
173.04478	6.2
173.11748	2.7
175.11147	11.3
181.12202	3.3
183.06572	1.8
189.11203	2.8
191.10658	6.7
193.12227	25.3
209.11694	7.8
211.13257	23.7
227.12828	7.7
229.14316	13.3
247.13194	3.4
267.15866	15.8
283.15317	5.3
285.16882	5.9
363.67419	1.5
401.23172	2.0
421.25815	9.6
427.19476	2.9
439.26929	13.3
475.26968	11.8
493.27466	11.4
637.31946	10.6
655.33441	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	652.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49773	0.5
55.05505	2.8
56.96547	0.9
57.03430	11.1
59.92588	0.7
61.02915	0.9
64.35190	0.6
65.87772	0.6
67.05486	4.6
69.03415	2.9
69.07057	0.9
69.22688	0.6
71.01366	0.7
71.04979	49.2
73.02896	0.8
75.04468	1.5
79.05489	0.7
81.03400	1.3
81.07043	2.8
83.04968	11.5
83.08590	0.8
85.02893	54.0
87.04456	1.4
90.59535	0.7
91.05463	1.7
93.07034	1.5
95.04948	1.5
95.08540	1.2
97.02879	2.5
99.04438	1.5
105.07027	2.8
107.08591	1.1
109.06487	1.5
109.10145	4.2
111.04437	2.8
119.08537	1.7
120.98363	0.7
121.10123	0.7
127.03907	0.8
129.05435	8.5
131.04939	1.2
137.74156	0.7
147.06514	3.5
163.46811	0.7
164.09207	1.2
165.07042	0.8
179.08488	1.0
180.08748	0.7
183.08000	1.0
193.06520	2.7
194.07365	0.8
195.08032	0.9
196.05200	3.7
197.05957	4.2
202.07516	0.7
207.04407	15.2
207.08006	2.9
207.11760	1.1
211.07491	11.9
220.08881	1.5
221.05867	5.4
222.06749	2.8
223.07556	3.2
224.04683	1.3
225.09084	5.6
226.09818	1.6
229.14407	1.0
235.07544	1.0
235.11217	5.2
236.08308	0.7
237.05310	1.0
237.09105	1.2
239.06985	44.8
242.05783	8.1
245.09482	1.2
248.08279	3.7
251.06981	1.3
253.08514	6.4
254.09334	9.8
255.10193	1.5
257.08035	52.6
261.09238	1.0
263.10617	8.9
265.08691	0.9
267.09921	0.9
267.13818	1.7
271.09595	19.2
277.08798	0.8
279.10114	1.1
280.11002	0.9
285.11209	5.6
286.11954	100.0
287.12143	0.8
295.13251	10.2
296.10303	0.8
305.11847	1.1
311.12857	1.2
317.31418	0.8
327.15851	23.4
337.14218	1.3
339.15723	1.2
353.13876	3.3
379.15652	1.0
419.18472	1.1
437.19443	8.5
547.99219	0.8
652.38464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.96540	0.3
57.07057	1.0
60.91387	0.2
67.05488	4.2
69.03402	1.4
69.07053	4.8
69.57997	0.2
74.16354	0.2
77.03924	0.2
79.05459	1.5
81.07037	12.7
83.01346	0.3
83.04938	0.4
83.08594	1.3
85.02879	0.5
85.06521	1.6
91.05453	1.0
93.07009	3.0
95.04937	0.4
95.08581	12.8
97.02880	0.3
97.10118	0.6
98.02195	0.3
99.04392	0.2
99.08056	0.5
105.07030	2.1
107.08570	2.5
109.06528	0.4
109.10152	3.7
111.04408	1.2
111.11713	1.1
119.08547	1.3
121.06470	0.3
121.10112	1.4
123.04446	0.3
123.08044	10.9
123.11655	3.2
125.09618	0.3
127.11192	0.5
131.08516	0.4
133.10085	0.4
135.08034	3.1
135.11649	1.2
137.05951	0.5
137.09572	0.4
137.13225	1.9
142.41985	0.2
145.10123	1.3
147.11670	0.4
149.09567	0.5
149.13235	2.2
150.69797	0.3
151.07516	100.0
152.07907	0.3
153.05441	2.0
153.12759	0.3
157.10095	0.3
158.07317	0.3
159.08128	0.4
161.09624	1.1
163.07547	0.5
163.11189	2.3
165.09065	2.1
173.09598	1.2
174.06764	0.3
175.07516	3.1
175.11118	1.2
176.08287	1.9
177.09048	6.6
187.11183	0.5
188.08241	0.6
189.09122	1.2
189.12689	0.5
191.10628	30.2
199.11111	0.4
201.09213	0.3
203.10664	1.7
205.12202	10.9
207.10176	0.3
215.10675	0.4
217.08511	1.4
217.12228	1.2
219.13702	0.3
231.13837	1.9
245.15189	0.4
275.19943	1.0
285.18265	0.4
287.20135	0.4
291.26807	0.9
303.19473	0.9
303.22910	0.2
309.27841	0.9
411.32614	1.4
429.27954	0.4
429.33585	11.3
447.34576	1.5
465.31833	0.3
535.23541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.96540	0.3
57.07057	1.0
60.91387	0.2
67.05488	4.2
69.03402	1.4
69.07053	4.8
69.57997	0.2
74.16354	0.2
77.03924	0.2
79.05459	1.5
81.07037	12.7
83.01346	0.3
83.04938	0.4
83.08594	1.3
85.02879	0.5
85.06521	1.6
91.05453	1.0
93.07009	3.0
95.04937	0.4
95.08581	12.8
97.02880	0.3
97.10118	0.6
98.02195	0.3
99.04392	0.2
99.08056	0.5
105.07030	2.1
107.08570	2.5
109.06528	0.4
109.10152	3.7
111.04408	1.2
111.11713	1.1
119.08547	1.3
121.06470	0.3
121.10112	1.4
123.04446	0.3
123.08044	10.9
123.11655	3.2
125.09618	0.3
127.11192	0.5
131.08516	0.4
133.10085	0.4
135.08034	3.1
135.11649	1.2
137.05951	0.5
137.09572	0.4
137.13225	1.9
142.41985	0.2
145.10123	1.3
147.11670	0.4
149.09567	0.5
149.13235	2.2
150.69797	0.3
151.07516	100.0
152.07907	0.3
153.05441	2.0
153.12759	0.3
157.10095	0.3
158.07317	0.3
159.08128	0.4
161.09624	1.1
163.07547	0.5
163.11189	2.3
165.09065	2.1
173.09598	1.2
174.06764	0.3
175.07516	3.1
175.11118	1.2
176.08287	1.9
177.09048	6.6
187.11183	0.5
188.08241	0.6
189.09122	1.2
189.12689	0.5
191.10628	30.2
199.11111	0.4
201.09213	0.3
203.10664	1.7
205.12202	10.9
207.10176	0.3
215.10675	0.4
217.08511	1.4
217.12228	1.2
219.13702	0.3
231.13837	1.9
245.15189	0.4
275.19943	1.0
285.18265	0.4
287.20135	0.4
291.26807	0.9
303.19473	0.9
303.22910	0.2
309.27841	0.9
411.32614	1.4
429.27954	0.4
429.33585	11.3
447.34576	1.5
465.31833	0.3
535.23541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82231	0.4
62.00738	0.4
67.05483	0.5
79.05484	0.6
81.07038	2.8
83.04986	0.4
88.12209	0.4
91.05480	0.7
93.07022	1.6
95.08582	0.7
105.07047	2.4
107.08571	0.9
109.10149	0.4
119.08572	0.7
130.31357	0.4
135.11629	0.6
137.05879	0.4
145.10146	0.7
159.96469	0.5
170.76971	0.4
173.09566	0.4
193.08556	3.0
194.08919	0.5
201.16415	0.6
275.16513	0.5
395.00827	0.5
462.10205	0.5
643.25165	100.0
644.25647	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	644.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01854	2.5
55.05500	3.9
55.53102	0.4
57.03442	3.0
57.51033	0.5
61.02911	4.6
62.02710	0.4
63.78627	0.4
64.33077	0.5
66.65074	0.3
67.05493	11.7
69.03416	10.6
69.07042	4.4
70.09374	0.4
71.01295	0.4
71.04963	2.4
73.02891	2.0
79.05061	0.6
79.05479	13.9
81.03399	4.6
81.06602	0.8
81.07042	15.4
83.04936	0.7
83.08601	8.1
85.02891	48.1
85.06509	0.8
87.04457	0.4
91.03929	1.8
91.05459	10.2
93.07021	20.9
95.08582	11.8
97.02876	14.2
97.06497	2.7
97.10121	2.3
99.04424	2.4
99.08052	2.1
105.07027	4.6
107.08572	16.6
109.02875	5.0
109.06503	0.9
109.10131	4.8
111.08107	4.1
113.09625	1.0
117.06980	1.9
119.08558	8.8
121.06480	0.4
121.10123	32.4
122.10545	0.5
123.08031	3.5
123.11661	1.5
125.05994	3.3
125.09581	1.9
127.03904	9.7
129.06969	0.5
131.08524	4.8
133.10114	10.0
135.08028	3.5
135.11668	12.1
137.09592	13.8
139.07494	0.8
139.11153	2.1
141.09090	0.5
143.06923	0.6
145.04944	8.0
145.10126	2.8
147.11685	8.1
149.09619	5.8
149.13225	2.0
151.11160	7.5
152.46825	0.4
153.09062	6.1
153.12675	0.6
157.10112	0.9
159.11671	0.5
163.05983	2.4
163.11174	1.0
165.12691	0.9
167.10635	2.4
171.11658	1.8
189.12759	0.4
189.16296	0.6
193.88757	0.4
203.17909	4.0
213.16347	7.2
221.19006	3.0
231.17415	9.9
231.34653	0.5
233.27652	0.4
245.90451	0.4
249.18437	100.0
249.35310	0.4
250.18738	1.0
267.19492	45.7
285.20551	35.9
303.21518	7.1
674.66937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81664	0.5
60.66580	0.4
69.07095	0.5
77.70087	0.4
91.05512	0.5
93.07085	0.8
105.07082	0.7
145.10199	0.6
150.89180	0.5
202.02927	0.5
245.30952	0.5
396.12180	0.8
397.13263	1.1
398.13425	0.6
410.13779	1.9
411.14517	7.5
412.15118	4.3
413.16028	1.8
423.14636	1.0
424.15518	2.3
425.16107	14.4
425.21326	0.6
426.16815	10.6
427.17734	1.7
428.18890	0.9
437.16507	0.9
438.12714	3.5
439.13431	13.0
440.18893	5.0
441.19238	36.6
442.19424	1.8
452.14291	4.1
453.15250	15.5
454.16104	4.9
456.17474	0.6
457.14713	0.7
465.15848	0.8
467.17126	27.4
468.17844	13.9
469.18710	13.2
470.19534	0.9
471.15918	0.6
481.14719	17.1
482.15591	5.5
485.18143	1.1
495.16336	0.8
495.20862	0.6
496.17151	10.8
497.17969	1.0
499.16132	0.8
508.17480	0.7
509.18130	2.1
512.20691	0.7
514.22571	1.1
523.19690	0.6
527.23511	3.2
555.22308	25.0
556.22479	1.2
583.21844	100.0
584.22223	9.5
587.24866	0.9
601.03760	0.5
611.22113	0.8
615.24438	9.2
641.51788	0.7
643.23883	52.5
644.24048	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	642.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03930	0.7
55.01865	0.6
65.03925	0.6
67.05488	0.7
69.07047	0.9
79.05476	6.1
80.82259	0.4
81.07032	1.7
91.05457	5.4
93.07014	1.9
95.04955	15.8
95.08585	1.7
95.13059	0.4
103.05464	5.1
105.07021	45.7
107.04945	8.6
107.08576	2.2
109.06503	2.0
109.10149	0.7
114.36347	0.5
115.05431	0.8
116.06200	0.7
117.06980	3.0
118.04148	2.1
119.04898	1.9
119.08572	24.6
120.05669	0.7
121.06542	3.1
121.10175	0.9
122.07272	0.8
123.04417	15.2
124.05172	0.5
129.77898	0.5
131.04874	3.1
131.08513	0.8
132.05702	1.0
132.48323	0.5
133.06473	26.0
133.10150	2.8
134.07224	1.0
135.04410	0.7
135.07062	0.8
135.08046	15.1
137.05959	11.6
140.04678	4.1
145.06445	0.7
145.10063	0.6
145.28317	0.4
147.04405	2.7
147.08037	5.4
147.11697	2.5
148.05101	0.7
149.05945	2.0
149.09669	0.7
150.06749	7.8
150.45811	0.4
151.07535	0.8
155.07007	6.4
161.06018	3.8
161.13274	0.5
162.06709	1.9
163.07516	11.9
163.11105	0.7
165.05432	2.8
165.09093	15.7
167.07065	0.5
172.08859	0.6
175.07507	0.7
176.08359	0.6
177.05412	1.0
177.09108	3.5
178.06181	1.1
178.08495	0.8
178.09883	13.5
181.08571	0.6
183.06491	7.5
188.08441	0.6
191.07034	4.5
191.10689	2.1
192.07797	48.1
193.08585	100.0
194.09221	0.9
195.10161	2.2
203.10611	0.5
203.17969	3.4
206.09351	5.6
211.09572	0.4
221.11707	32.3
231.10019	0.5
465.46710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.6
57.07065	45.8
67.05507	59.0
69.07073	21.0
71.08636	16.5
79.05499	22.7
81.07056	58.0
83.08614	21.3
85.10139	10.3
91.05463	39.4
93.07052	70.4
95.08607	77.1
97.06506	9.0
105.07020	43.1
107.08576	19.9
107.54471	9.4
112.72462	10.1
117.07008	16.9
119.08565	49.7
121.10128	17.2
123.11721	13.3
123.34756	9.0
129.07033	13.3
131.08513	10.6
133.10097	13.0
145.10144	18.3
155.77386	10.2
184.12894	9.9
184.47958	9.0
257.36053	9.1
275.71600	10.6
284.35840	9.2
313.27246	44.5
319.27960	8.9
507.40280	100.0
644.18915	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	641.1705
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03913	0.1
55.05469	0.1
55.14787	0.1
57.03424	1.0
61.02889	0.1
68.99732	0.1
69.03371	0.4
70.49484	0.1
71.01290	0.1
71.04971	4.3
73.02855	0.1
74.97624	0.0
75.04424	0.2
81.03359	0.3
81.06995	0.1
81.86262	0.1
83.04907	0.2
85.02883	5.4
87.04399	0.1
91.05421	0.1
95.04902	0.4
97.02829	0.4
99.04408	0.1
101.37968	0.1
108.02075	0.1
109.02864	0.7
111.04357	0.1
116.98606	0.1
126.03073	0.4
127.03860	0.1
129.05443	0.5
137.02342	0.5
138.03084	0.1
139.03885	0.9
141.05383	0.3
148.86011	0.1
151.03842	0.1
153.00552	0.1
153.01793	3.4
155.01340	0.1
165.01738	0.4
166.02573	0.4
166.57785	0.1
167.03352	1.2
170.02069	0.1
177.65584	0.1
179.03362	0.6
180.04066	0.1
188.04633	0.1
191.03273	0.1
193.01234	0.3
193.05113	0.1
202.02588	0.1
203.03328	0.1
203.06888	0.1
205.04932	0.2
206.05724	0.3
208.03633	0.3
209.04416	0.1
216.04085	0.7
219.02843	1.4
220.03534	0.3
230.01962	0.1
231.02921	0.1
231.06474	0.4
232.03816	0.1
233.04323	0.2
234.01483	0.1
234.05084	0.3
241.04956	0.1
243.02818	0.1
244.03607	2.3
245.04362	0.9
247.02222	0.3
259.05936	0.9
261.03912	0.7
262.04672	0.1
272.03104	1.0
273.03925	0.6
273.88159	0.1
277.06976	0.1
287.05444	1.2
289.03336	1.5
290.04135	2.8
300.02570	0.2
301.03345	3.2
304.05728	0.4
305.06436	0.1
315.05066	0.1
317.02850	3.5
317.06537	0.1
318.03619	25.5
319.03873	0.4
333.05960	100.0
334.06296	1.4
495.11172	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.10434	0.5
55.01871	6.4
55.05505	1.4
56.96551	1.6
57.03433	12.7
59.04994	1.1
61.02914	6.5
64.27658	0.6
67.05474	2.7
69.03421	18.2
69.07038	1.3
71.01328	3.4
71.04964	1.1
73.02901	34.7
73.66754	0.5
78.62290	0.6
79.05461	4.9
81.03397	4.6
81.07041	5.1
83.04967	1.5
83.08629	1.0
85.02893	29.8
85.82310	0.6
87.04447	1.2
91.03934	0.7
91.05472	5.6
93.07009	3.6
95.04929	3.7
95.08583	2.6
97.02874	18.0
97.06486	1.1
98.06022	1.0
98.97550	0.9
99.04440	2.9
103.03899	1.5
103.05443	1.6
105.07015	37.6
107.04966	1.1
107.08574	3.5
109.02853	3.1
109.06506	3.7
109.10133	2.7
111.04379	0.7
115.03925	8.8
116.98604	1.1
117.06992	3.0
119.08587	1.6
121.06491	2.5
121.10150	1.0
124.05185	1.2
127.03899	5.2
129.06987	1.4
130.31529	0.6
130.70987	0.6
131.04930	1.0
131.08537	1.6
133.04971	5.6
133.06471	38.5
133.10013	0.7
135.07993	0.8
136.07564	1.0
137.05959	52.5
142.07758	0.8
144.06610	1.0
145.04936	4.2
145.06468	3.7
145.10112	3.4
147.08006	1.6
147.11668	0.8
149.05988	1.2
149.09625	1.0
151.07521	4.6
159.08015	1.2
159.11664	0.7
161.05907	0.7
161.09529	1.5
163.07501	2.9
165.09084	100.0
173.08141	0.8
173.09586	2.4
175.07481	1.3
176.08275	0.8
177.09077	12.6
179.10638	2.8
180.10129	5.8
189.09160	3.3
191.10599	3.4
193.12274	0.8
203.10736	1.2
205.12164	6.9
207.10114	0.9
215.10497	0.7
231.10075	0.9
241.07338	0.7
243.10139	0.9
258.97995	0.7
267.08850	0.8
285.09961	1.2
285.35812	0.7
294.11566	0.7
301.14322	5.3
329.17401	29.0
341.17383	3.3
353.17429	1.5
373.16882	0.7
379.18759	1.4
407.18591	5.8
425.19574	3.1
442.36670	4.1
460.37622	1.5
640.34296	0.8
640.43732	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	640.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.8
57.03228	0.4
57.03427	7.8
61.02901	3.1
69.03072	0.7
69.03411	10.9
71.01328	2.2
71.86934	0.5
73.02896	9.5
79.05475	0.7
81.03386	1.1
85.02885	22.0
87.04440	2.3
91.03922	1.0
91.05444	2.1
92.39149	0.5
93.07019	1.3
97.02870	14.8
99.04407	0.9
103.03889	0.8
105.07015	4.1
109.02876	2.0
115.03915	6.4
115.05441	0.6
117.06935	1.9
119.08569	3.3
121.06461	0.7
123.08035	1.9
127.03894	4.8
127.07521	0.5
128.06181	1.0
129.06970	1.1
131.08560	7.4
131.94011	0.5
133.04964	6.4
133.06462	0.7
133.10097	8.9
135.04408	0.5
142.07771	3.9
143.08539	5.2
144.09363	0.7
145.04930	5.3
145.06377	0.8
145.10086	2.9
145.28352	0.5
146.07240	0.9
147.08009	5.0
147.11684	2.6
149.09584	2.2
151.07497	5.0
154.07724	0.7
155.08543	0.8
157.10100	24.7
159.08014	8.9
159.11627	4.8
161.06029	0.6
161.09579	41.4
162.10368	8.2
163.03822	2.3
163.05890	0.7
163.10988	0.6
169.10095	3.1
173.05969	0.8
173.09566	9.7
174.10378	1.2
175.07588	0.7
175.11137	28.4
177.05492	0.6
177.09067	10.2
183.08063	0.9
185.09572	11.0
187.07478	5.2
187.11226	1.0
189.09076	1.9
191.10648	1.2
199.11095	0.8
200.11530	0.6
201.05449	0.6
201.09067	9.2
203.10628	7.0
205.08575	19.8
211.07468	0.9
213.09033	2.1
219.10110	12.5
221.11728	0.9
229.08559	7.4
231.10124	9.6
242.09892	0.5
247.09573	21.1
249.11162	21.7
257.07956	2.4
259.08078	1.0
265.10641	10.7
275.09070	19.7
293.10120	22.6
293.13245	1.1
295.10257	1.0
311.11176	100.0
322.95184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66982	0.7
55.01877	1.0
55.05504	3.3
56.96559	100.0
67.05501	4.1
69.03413	1.0
69.07065	1.6
71.04976	1.6
71.95239	1.5
72.96025	0.9
74.97603	4.0
79.05473	5.3
81.07037	8.4
83.04964	1.5
84.96041	1.5
85.02927	0.9
91.05460	7.8
93.07024	7.0
95.04987	0.9
95.08597	1.7
97.06520	1.0
98.97565	66.6
105.07030	5.3
107.08564	7.8
109.06481	1.2
109.10162	1.1
115.00697	8.9
116.98604	71.1
117.07024	1.2
119.08560	4.1
124.99078	1.2
125.09609	1.1
127.00624	2.0
128.98630	1.2
129.07005	1.2
131.00174	1.2
131.08594	3.6
133.01698	10.1
133.10127	1.2
134.99643	53.6
136.43022	1.0
137.02763	3.9
141.02209	19.5
143.00139	2.0
145.01701	5.8
145.10100	0.9
147.03308	3.5
151.00629	3.6
151.02766	1.5
151.07561	5.6
153.00706	8.8
155.03827	7.0
157.01718	5.1
158.01216	1.3
159.03271	73.1
161.01207	5.4
161.04826	3.3
163.02802	1.3
165.02269	1.5
165.04384	1.7
167.03763	3.8
169.01674	6.9
169.05417	0.9
171.03296	10.4
173.04832	4.8
175.02823	4.4
177.04335	23.9
177.05852	1.4
179.03848	1.5
181.05289	8.7
183.03253	9.9
185.01318	1.5
185.04802	9.4
187.02750	10.6
187.06343	1.5
189.04276	3.5
191.05927	1.8
191.10640	1.4
193.03860	1.0
195.03308	1.5
195.06927	1.4
197.04808	9.3
199.06419	15.2
201.04292	12.7
203.02487	0.9
203.05884	2.2
205.03806	1.8
207.06857	1.5
209.04863	4.2
209.08543	1.0
211.02621	1.1
211.06387	10.4
213.04294	1.4
213.07974	4.7
215.05841	10.2
217.03879	0.8
217.07405	2.0
219.05324	1.4
221.08530	3.5
223.06419	4.6
225.04393	1.3
225.07950	5.8
227.05917	9.6
227.09549	5.5
229.07457	5.9
231.09062	1.2
237.07956	8.5
239.09502	11.5
240.95970	0.8
241.07446	6.9
243.09041	4.3
245.06934	5.5
251.09575	7.3
253.07437	2.0
253.10939	1.9
255.09026	4.1
257.10513	10.0
259.08466	1.1
269.10501	2.0
275.11743	1.3
281.10550	6.6
291.12671	6.4
293.10663	5.1
299.11560	3.7
309.13712	21.3
311.11728	1.8
315.12595	1.0
327.14883	4.6
333.13672	8.1
351.14709	33.9
369.15750	28.4
385.15247	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92609	0.7
51.29338	0.9
53.03939	6.2
55.01878	7.5
55.05505	20.4
56.96557	4.6
57.03434	12.6
59.05007	0.8
63.54597	0.8
65.03931	1.6
67.05495	28.5
69.03407	14.4
69.07065	8.5
71.01312	0.9
71.04987	8.5
73.02911	1.0
78.04943	0.9
79.05481	30.0
81.03405	100.0
81.06596	1.8
81.07043	32.5
83.04972	22.7
83.08611	19.4
85.02420	1.7
85.02896	25.9
85.06547	1.9
91.05463	33.4
91.06005	1.7
92.08819	5.7
93.07024	20.4
95.04952	30.1
95.08589	12.6
97.02903	9.9
97.06511	5.3
97.10159	8.2
98.97578	5.2
99.04457	3.6
105.07018	24.3
107.04943	11.2
107.08590	12.9
109.02869	17.4
109.06499	6.0
109.10143	5.9
111.04420	11.2
111.08057	10.4
113.05980	2.0
115.05439	1.7
116.98616	4.6
117.07028	5.0
119.08566	24.5
121.06506	3.8
121.10137	10.6
121.43182	1.0
123.04453	1.5
123.08045	5.1
123.11707	1.5
125.09607	6.6
127.03905	4.9
129.06996	15.2
131.04851	1.2
131.08543	14.5
133.06461	4.2
133.10117	9.2
134.99655	2.0
135.08032	3.9
135.11713	2.2
137.06035	1.3
137.09628	1.5
142.07826	1.7
143.08539	1.7
145.06473	2.0
145.10092	5.7
147.04367	1.6
147.07996	2.0
147.11670	16.2
149.05853	1.2
149.09615	6.3
153.12764	4.3
155.08498	1.1
157.10101	15.6
163.11174	6.3
165.12741	4.0
171.11656	1.7
173.04489	1.0
173.09555	1.2
175.11153	14.5
181.12216	2.0
189.09279	1.0
189.11212	1.4
191.10643	1.2
193.12224	31.9
211.13266	30.2
211.89479	0.9
227.12720	1.6
267.15848	17.1
273.14594	1.1
285.17029	11.2
301.14349	5.2
313.16397	1.4
319.15326	1.3
355.17447	2.0
367.22729	1.4
369.15927	1.5
385.23895	1.6
393.19028	3.8
411.19864	2.1
429.21249	4.0
459.27322	11.7
477.28461	16.6
495.29428	15.7
573.30597	1.2
585.30261	2.1
603.30664	3.0
621.32550	14.1
639.24036	1.7
639.33685	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.48866	1.0
61.91214	1.0
67.05494	2.2
67.63250	1.1
67.96546	1.1
69.07063	2.2
79.05490	5.5
81.07052	9.2
91.05473	6.0
93.07033	11.8
95.04935	2.8
95.08577	3.0
97.06534	1.7
103.53529	1.2
105.07014	6.2
106.81541	1.2
107.08603	8.1
109.10187	2.2
119.08598	2.7
121.10128	1.4
131.08534	1.7
131.46678	1.3
133.10091	1.7
135.08044	1.5
136.00935	1.3
139.07536	1.3
145.10135	6.1
156.91789	1.3
201.16351	1.5
222.42252	1.3
356.28842	1.5
387.15872	2.0
391.19135	2.6
393.20776	1.9
399.16071	1.4
400.16599	1.9
401.17590	3.0
402.18265	1.5
407.22375	5.0
413.17752	2.2
414.18613	5.5
415.19064	14.2
421.20224	1.7
428.20087	2.5
429.21204	11.3
430.21555	1.6
435.21735	1.9
441.17059	2.5
442.17645	2.0
443.18597	8.6
443.23126	2.2
444.19366	6.2
445.20090	2.4
456.18973	1.8
457.20172	5.9
458.20917	2.8
471.22122	11.3
472.23074	1.9
473.19330	4.6
474.20361	1.7
485.19373	2.9
486.20294	7.4
487.21585	2.9
490.19977	2.3
499.21350	10.8
500.22180	1.9
503.24176	3.0
516.21698	2.6
517.22205	3.0
527.20624	2.9
531.23840	16.3
559.23303	99.1
560.23102	6.0
587.22656	18.3
619.25482	100.0
620.25714	6.8
637.26599	14.0
647.83374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95817	1.2
55.05503	1.7
61.80240	1.3
66.81290	1.2
67.05477	2.3
71.04973	1.6
79.05464	3.0
80.72082	1.3
81.07052	10.6
81.36700	1.4
83.04957	1.4
85.06573	1.3
89.95726	1.5
91.05459	7.2
93.07006	13.8
95.04962	2.8
95.08596	6.6
97.06495	2.1
105.07018	9.3
106.02077	1.6
107.08594	5.2
109.06511	2.0
109.10165	3.6
119.08566	7.4
121.10143	2.8
127.80425	1.4
131.08565	2.6
133.10143	3.1
135.11650	2.4
136.12035	1.8
145.10112	5.5
159.11629	2.7
180.09569	1.7
251.53198	1.6
399.15863	2.3
400.16730	2.5
401.17606	3.1
407.22217	1.7
414.18567	3.0
415.19223	11.6
421.20294	1.7
428.20117	2.0
429.20801	11.2
442.17627	2.4
443.18097	2.8
444.19138	2.3
445.19998	2.7
457.20093	8.2
458.20966	2.4
471.21704	3.3
472.22464	2.1
473.19345	2.7
486.20258	6.8
487.20856	3.1
499.21170	11.7
517.22284	2.8
531.23883	17.1
559.23254	95.4
587.23181	15.0
619.25446	100.0
620.25250	2.4
637.26788	16.5
637.36310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08531	0.2
65.78259	0.2
82.30998	0.2
85.02873	0.4
101.55022	0.3
114.55968	0.2
120.08068	0.3
145.08583	0.3
165.00206	0.3
167.06779	1.1
185.04195	0.3
203.05359	0.3
329.12012	100.0
330.12311	1.0
433.11490	0.2
450.20502	0.3
497.33289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86918	0.6
52.75187	0.6
55.01862	1.8
55.26308	0.6
55.62458	0.6
65.03638	0.9
65.03931	13.8
67.05482	1.7
69.03403	0.8
75.04440	0.9
77.41798	0.8
79.05477	3.2
81.07033	2.0
82.04161	1.1
85.02890	1.5
91.05441	6.3
93.03362	8.0
93.07032	3.9
95.01290	1.5
95.04948	5.8
95.08585	1.5
97.06510	0.9
103.05447	3.3
104.50256	0.9
105.06997	3.5
106.04175	11.3
107.04987	6.0
107.08588	1.1
109.06487	1.2
109.10143	1.2
110.03637	12.2
111.04424	14.8
115.05441	1.0
117.07005	1.3
119.04924	1.0
121.02876	6.8
121.06493	12.7
121.10105	0.8
123.04404	1.3
125.05962	18.0
127.03950	1.0
129.06984	1.2
131.04919	3.2
133.02802	1.1
133.06425	1.8
133.10089	1.3
135.04427	1.5
137.05951	8.5
138.03091	3.3
139.07497	1.2
145.10107	0.9
147.04370	1.0
148.05122	1.0
149.02322	3.4
149.05971	18.2
151.07497	1.4
153.05449	27.0
153.09081	4.7
159.04391	0.8
159.07997	1.8
159.11716	0.9
161.05957	3.5
161.09554	1.2
163.03836	1.2
163.07544	3.2
165.06937	1.7
167.07056	8.1
167.08325	1.5
171.82454	0.8
175.07524	1.7
177.05426	8.7
178.07729	1.1
180.88892	1.0
181.05067	2.4
181.06407	1.8
181.08557	9.6
184.05132	1.2
187.07538	1.1
189.09010	1.1
191.06981	1.3
193.08559	1.8
194.07257	1.2
195.07988	4.7
197.09540	1.1
205.08382	0.8
206.07315	1.4
207.08060	1.6
209.08040	32.9
209.09909	2.0
210.06729	3.3
211.07495	1.6
211.09491	0.9
212.08328	1.9
213.09070	1.3
219.08018	1.8
221.02225	0.9
221.05922	1.3
221.09560	1.9
223.07509	4.6
224.08162	3.7
225.05450	1.0
225.09076	3.3
227.06949	1.3
227.10612	1.5
234.06731	1.3
236.08360	1.1
237.09045	4.4
238.06168	3.4
238.09821	4.2
239.06937	5.0
239.10561	1.6
240.07767	11.7
241.08560	1.9
242.09306	0.9
247.03607	0.8
249.09084	3.6
251.06921	4.6
251.10739	1.0
252.07664	3.3
253.05890	0.9
253.08542	23.8
253.12134	9.4
254.09273	5.0
255.06532	2.9
255.10042	6.7
257.08075	1.8
257.11383	1.1
264.07877	0.9
265.08487	1.5
266.06027	1.0
266.09274	5.7
267.06570	0.9
267.10202	5.5
268.07138	3.5
269.07990	4.1
270.08810	4.4
270.12399	1.2
273.96246	0.9
277.08383	1.6
279.06638	1.0
279.09833	1.2
281.07968	3.7
281.11658	8.4
282.08835	3.6
283.09625	10.8
284.10287	4.7
285.07587	0.9
285.11072	5.5
285.14441	2.1
294.08902	1.0
295.09695	5.5
298.11884	3.3
299.12711	9.5
300.09665	1.4
303.15961	1.5
309.11111	10.8
310.11890	3.8
311.12625	1.0
313.10632	14.4
313.14285	6.9
327.12244	36.2
328.12833	1.3
331.15344	4.9
339.12466	1.3
341.13770	5.0
359.14813	100.0
360.15308	0.9
361.16446	1.2
371.14780	5.1
389.15936	1.7
427.17047	0.9
444.34937	0.8
483.60245	1.0
571.90869	0.9
633.56006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74261	1.3
53.00306	1.9
53.03952	1.5
55.05510	11.7
57.03434	2.6
57.07070	28.9
65.41029	1.2
65.70901	1.3
67.05497	35.1
69.07058	18.5
71.04987	5.7
71.08620	21.1
76.55723	1.4
77.61212	1.5
79.05486	11.1
81.07050	72.5
83.05022	1.5
83.08635	9.5
85.06542	6.5
85.10146	10.6
91.05476	10.3
93.07029	16.5
94.07414	1.3
95.04985	2.8
95.08595	66.8
97.06522	2.3
97.10180	2.8
99.08066	1.7
105.07028	14.3
107.08575	12.8
109.06568	2.2
109.10168	10.6
119.08567	10.7
121.10131	8.0
123.08122	1.5
123.11715	5.7
131.08578	1.8
133.10168	2.8
135.08038	1.8
135.11696	7.1
137.13251	2.3
145.10129	6.9
147.11711	7.1
152.74060	1.6
159.11687	2.8
161.78018	1.3
163.71606	1.4
165.12717	2.6
175.21201	1.4
208.16948	10.8
219.17348	1.3
226.18050	9.2
282.27765	1.8
313.27539	2.3
380.18179	5.6
495.40411	100.0
545.05627	1.6
618.41193	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	630.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.89875	0.6
55.01871	3.7
55.05502	3.9
55.33529	0.5
57.03441	0.7
61.02908	0.8
62.63962	0.6
63.44902	0.6
67.05490	9.0
69.03432	7.1
69.07055	12.0
71.04979	7.9
73.02926	0.6
73.06524	0.7
77.03908	0.9
79.05475	13.4
81.03403	1.5
81.07040	37.3
83.04965	16.2
83.08614	5.5
85.02888	13.2
85.06545	5.6
90.03131	0.7
91.05454	8.3
93.07026	41.1
95.04948	13.6
95.08586	33.9
97.02895	3.7
97.06513	28.4
97.07121	1.1
99.04435	23.0
101.06006	1.4
105.07014	27.7
107.04949	4.8
107.08581	25.0
109.02885	1.1
109.06509	29.2
109.10160	5.7
111.04419	0.9
111.08064	21.4
111.08803	1.0
113.06004	6.1
115.07581	0.7
117.07051	1.4
119.08575	17.7
121.06490	79.4
121.10127	4.3
123.04416	3.4
123.08056	5.8
123.11682	10.7
125.05975	15.6
125.09532	0.7
127.03898	4.6
127.07533	10.9
129.07001	3.2
131.08559	4.3
131.85060	0.7
133.06483	3.2
133.10109	15.7
133.11032	1.2
135.04424	4.0
135.08020	12.1
137.05957	3.8
137.09639	0.8
137.13260	1.0
139.07527	23.4
139.08597	0.8
141.05450	3.1
142.07776	1.2
143.07040	10.4
143.08580	6.7
145.05086	0.8
145.10117	7.8
147.08054	6.1
147.11670	54.5
149.05957	0.7
149.09624	0.8
149.13173	1.3
151.07516	2.8
151.11157	9.0
153.09146	0.7
155.07045	1.1
155.08464	1.1
156.09364	0.7
157.08621	8.2
157.10126	18.9
157.11348	0.9
159.06490	10.8
159.07924	1.0
161.05994	1.5
161.13246	14.3
163.11206	0.8
163.14816	1.2
165.12714	16.7
166.07773	3.3
169.12225	19.1
171.08023	0.8
171.11656	18.3
173.08189	0.9
173.09613	4.1
173.13216	1.1
175.11160	36.1
177.05463	1.1
181.10155	4.6
184.08855	1.3
189.11038	0.8
189.12715	25.0
191.10625	0.8
193.12216	32.7
199.11154	31.9
199.13002	1.3
205.07066	0.8
207.13777	13.0
211.13268	25.4
211.15251	0.8
217.12213	81.1
225.14923	1.1
229.14330	9.6
235.13257	64.3
241.46722	0.8
252.96771	0.8
253.14304	100.0
271.15350	37.5
289.16400	59.1
320.30536	0.7
397.18527	3.6
415.19727	1.6
433.20602	2.9
474.69824	0.8
512.52502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.59623	0.5
65.50541	0.5
67.05489	3.5
68.99544	0.7
69.07069	4.6
79.05486	1.5
81.03168	4.4
81.07047	11.0
82.37820	0.6
83.01048	0.9
83.08621	1.5
85.06535	0.8
91.05458	1.1
93.07017	4.5
93.30798	0.5
95.08589	12.4
97.10126	0.9
98.97558	0.7
99.08079	2.4
105.07014	1.4
107.08582	3.5
109.10149	5.7
115.01843	0.6
121.10130	3.1
123.08035	6.9
123.11705	5.2
134.06953	0.8
135.08014	2.7
135.11703	2.3
137.13197	0.9
139.11116	0.8
149.09677	0.6
149.13199	2.0
151.07530	100.0
157.82599	0.6
161.09624	0.8
163.11185	0.8
165.09152	1.4
171.11757	0.6
173.09573	1.0
175.07512	1.2
175.14680	0.6
176.08369	1.1
177.09059	7.0
179.63815	0.6
189.09055	1.0
191.10651	17.0
203.10669	1.0
205.12218	7.4
217.12189	1.1
245.86086	0.7
259.33261	0.7
325.16180	65.2
411.32535	3.9
429.33582	19.0
508.93277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01869	1.2
56.59433	0.5
57.03434	1.2
59.95514	0.6
65.03936	0.7
69.03426	0.7
70.06583	0.6
71.04964	1.1
78.04681	0.7
79.05482	6.0
79.88091	0.6
81.07056	1.2
85.02913	5.0
86.48521	0.5
87.04530	0.6
91.05473	9.3
93.07028	5.6
95.04945	3.8
95.26398	0.6
97.02856	1.1
97.06542	0.9
103.05447	4.1
105.07011	13.0
106.04134	0.6
107.04955	8.8
107.08586	0.9
109.06482	1.1
109.10156	0.7
111.04449	1.0
115.05450	2.9
117.07001	4.3
117.77945	0.6
119.04932	2.6
119.08555	1.3
120.05715	0.6
120.49815	0.6
121.06478	9.2
123.04424	5.6
123.08071	2.7
124.05232	0.8
125.05970	3.0
127.03859	1.1
128.02377	0.6
128.06195	1.6
129.06984	6.9
131.04948	4.6
131.08557	3.7
133.06487	12.3
135.04364	0.6
135.08049	3.3
136.05188	0.6
137.05962	6.6
139.07527	0.7
140.04680	3.4
143.04929	0.8
143.08505	0.7
145.06398	1.5
147.04420	1.4
147.08009	1.4
149.06007	2.6
151.03923	1.2
151.07526	13.2
152.04645	1.4
153.01933	0.7
153.05469	5.3
155.07016	1.5
157.06499	7.8
159.08069	1.3
161.05969	24.7
161.09579	5.2
162.06715	3.2
163.07483	6.4
165.05441	0.8
165.06920	0.8
165.09128	3.4
166.06247	3.1
166.07553	0.8
167.07019	43.8
169.06390	0.8
171.08017	0.9
174.06755	5.5
175.07509	9.7
177.09087	100.0
178.09483	0.9
179.07118	0.8
179.08560	0.7
181.06415	0.9
181.06892	1.1
181.08586	22.1
181.10165	1.2
183.62018	0.7
189.09082	22.1
191.07011	2.5
191.08640	0.8
191.10567	0.9
193.08583	34.8
195.08041	3.3
195.10172	3.9
197.05818	0.8
197.09637	1.3
203.10606	1.4
207.10123	3.1
209.06152	0.8
211.07550	0.8
219.08145	1.5
219.10205	3.5
221.05930	1.6
221.11691	9.3
222.06746	1.1
223.07561	2.9
223.10992	1.0
225.09161	4.9
227.07137	0.7
229.12364	0.9
235.07463	0.9
236.08351	1.2
239.06949	1.0
240.07843	1.0
241.08589	0.8
241.10750	0.9
251.10706	1.0
253.08586	5.3
255.06451	1.3
255.10213	1.0
257.11713	3.2
265.08499	1.1
267.09772	1.0
267.12509	5.9
269.08136	2.9
270.08817	1.2
279.10037	1.1
281.07910	1.0
283.09631	4.2
283.13315	3.6
284.10434	0.8
285.11154	5.5
285.74283	0.7
297.11105	2.5
299.12662	1.1
302.11469	1.1
305.82602	0.7
311.12878	1.4
315.12234	5.7
316.13333	0.8
317.06570	3.8
317.13779	4.4
318.06845	3.4
319.07135	3.1
329.13818	1.3
331.15356	0.9
341.13797	0.8
343.15195	5.8
346.13937	1.4
359.14694	2.9
360.15576	13.7
361.16422	36.8
373.16193	0.9
390.11246	0.7
435.20068	25.6
457.45056	0.7
627.24799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.20448	0.1
55.01858	0.8
57.03411	1.0
61.02903	1.3
68.99779	0.3
69.03413	3.6
71.04960	0.3
73.02890	0.3
81.03397	1.8
83.01341	0.2
85.02886	9.1
87.04412	0.2
91.03902	0.2
93.03368	0.3
95.04939	0.2
97.02872	3.2
109.02850	1.4
110.09675	0.7
111.00770	1.0
117.73904	0.2
120.08064	1.1
121.02837	1.0
123.04354	0.3
126.29066	0.2
127.03918	1.5
131.56602	0.2
137.02316	4.4
137.03362	0.2
138.09113	3.1
140.23312	0.2
145.04929	0.3
149.02330	0.9
153.01790	4.7
161.06032	0.6
163.03877	1.0
165.01762	2.5
173.05991	0.4
174.09215	0.3
176.66562	0.2
183.02870	1.0
183.04355	0.2
187.03888	0.2
191.03484	0.2
195.02881	0.2
201.05440	1.9
205.04900	0.2
213.05466	0.2
219.06497	0.3
229.04883	4.9
247.05956	1.1
257.04364	3.9
274.04660	1.1
285.03809	1.7
303.04919	100.0
304.05270	1.2
333.09302	2.0
369.05319	0.2
419.17770	0.6
437.18976	0.2
447.17538	0.3
465.10202	7.0
465.18274	1.1
497.66183	0.2
502.08154	0.2
627.18677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03933	0.3
55.01860	0.6
55.05500	0.1
57.03425	3.3
59.04983	0.2
59.49500	0.1
61.02913	1.2
65.03924	0.1
66.63927	0.1
67.01851	0.1
68.99772	1.2
69.03062	0.1
69.03408	1.9
69.05664	0.1
71.01321	0.3
71.04971	15.0
72.05338	0.1
73.02900	0.8
75.04457	0.5
81.03392	0.9
82.38351	0.1
83.04967	0.9
85.02885	19.3
87.04471	0.5
91.03929	0.4
95.01321	0.1
97.02867	2.4
99.04438	0.4
105.53596	0.1
109.02867	1.7
111.00778	3.0
111.04436	0.8
112.49343	0.1
117.87362	0.1
118.17640	0.1
119.04931	0.1
121.02833	0.5
121.06463	0.2
123.04447	0.2
125.02326	0.4
126.03071	0.2
127.03868	1.4
129.05449	2.3
133.02861	0.1
135.04398	0.1
137.02298	2.6
137.03258	0.1
139.03868	0.6
145.04901	0.6
147.04425	0.4
147.06483	0.8
149.02313	0.3
151.03928	0.1
153.01799	13.2
153.05417	0.4
154.02109	0.1
161.02303	0.1
161.05942	0.2
163.03883	0.1
165.01791	4.7
166.02597	0.6
171.04341	0.1
173.05965	0.1
175.03882	0.2
177.05452	0.4
177.97707	0.1
179.03346	1.6
183.02840	1.7
189.01941	0.1
189.05438	1.0
193.01274	0.5
194.02008	0.1
195.02869	0.9
199.03883	0.4
201.05431	0.1
203.03401	0.6
205.04828	0.1
207.02879	0.4
217.04916	4.3
217.07059	0.1
219.02776	0.1
221.04413	0.3
227.03329	0.5
228.04105	0.2
229.04860	0.5
231.02788	0.3
232.03574	0.2
235.02341	0.4
235.05984	0.4
239.01875	0.1
239.95534	0.1
244.03671	0.1
245.04388	6.3
246.04996	0.1
255.02818	0.8
263.05408	0.7
272.03217	0.3
273.03860	6.2
274.04559	0.5
275.05087	0.3
283.02209	0.2
285.03751	0.1
290.04156	1.6
291.04947	0.1
301.03299	1.7
302.04059	3.1
303.04510	3.4
304.04669	1.1
317.06488	6.8
318.06830	7.9
319.04376	100.0
320.04712	1.5
406.84714	0.1
459.52744	0.1
480.11932	0.1
481.09491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.4
54.81545	1.2
55.01868	9.5
55.05500	2.7
56.77871	1.1
56.96559	1.8
57.03428	9.4
61.02905	7.5
67.05499	2.3
67.28464	1.0
68.99782	2.8
69.03071	2.0
69.03417	40.0
69.07053	2.4
69.66751	1.0
71.04958	7.5
73.02883	8.0
79.05469	7.0
80.04962	1.3
81.02938	1.4
81.03404	41.3
81.07035	8.4
82.69094	1.0
85.02893	80.1
85.06510	1.3
87.00813	36.8
91.03914	1.5
91.05459	5.0
93.07006	7.8
95.04933	4.2
95.08585	5.0
97.02873	31.9
99.04437	17.3
105.01856	20.2
105.07003	10.8
107.04921	13.7
107.08583	7.4
108.03824	1.1
108.04442	8.8
109.02163	1.6
109.02873	33.6
109.06526	1.9
109.10114	2.0
111.04416	1.3
115.03901	1.5
115.05410	1.4
117.01820	4.5
117.07048	1.4
119.08547	5.1
121.06457	5.2
122.03622	4.8
123.08023	1.1
126.05487	5.7
127.03900	41.7
129.01794	1.7
131.04861	2.1
133.06480	22.4
133.10129	2.3
137.05956	100.0
140.04642	2.2
142.07687	1.4
145.04939	15.2
145.06480	4.5
145.10124	15.4
147.08029	2.7
147.11697	5.7
151.07500	8.0
157.10059	4.6
159.02878	15.9
161.05966	10.1
161.09506	1.3
163.07518	1.7
165.09009	2.0
167.07002	31.3
173.09534	13.8
175.07500	1.7
175.11157	34.8
177.09090	1.8
177.12599	1.5
189.03940	1.8
203.07056	1.5
205.12210	21.3
207.13792	15.2
230.06636	1.9
231.04924	7.0
231.13649	1.9
235.13237	2.1
237.14859	8.7
237.38631	1.3
248.07587	4.8
254.14780	1.3
360.25641	1.4
361.20020	93.9
385.19907	7.2
427.20792	2.3
451.21164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1761
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.66143	0.1
53.46789	0.1
57.03404	0.9
60.89579	0.2
69.03416	0.2
71.04623	0.2
71.04976	3.5
85.02888	4.3
97.02847	0.3
105.74519	0.1
110.03607	0.2
129.05460	0.3
135.72083	0.2
137.02325	1.3
147.06543	0.1
153.01793	0.6
158.15413	0.1
167.03453	0.2
193.01216	0.2
200.04736	0.2
228.04135	1.6
229.04851	0.7
245.04352	0.8
256.03653	0.6
257.04355	0.5
271.05573	0.2
273.03970	0.4
274.04651	3.3
285.03802	0.8
300.99988	0.3
301.03378	7.2
302.04150	31.1
317.06494	100.0
318.06723	1.3
479.11789	1.9
509.16840	0.2
558.90802	0.2
632.26288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1762
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03927	0.3
55.01854	0.2
55.05500	0.2
57.03171	0.2
57.03428	2.4
58.41373	0.1
59.93269	0.1
61.02905	0.7
66.67425	0.1
67.27720	0.1
69.03137	0.1
69.03419	1.9
70.06587	0.9
71.01337	0.2
71.04975	11.1
73.02871	0.4
75.04456	0.2
75.94456	0.1
81.03393	0.9
83.04955	0.5
85.02889	15.8
87.04424	0.6
91.05448	0.1
92.02599	0.7
93.03359	0.8
97.02872	1.6
99.04442	0.2
109.02842	0.6
111.00822	0.1
111.04407	0.4
121.02854	1.0
126.03101	0.5
127.03873	0.8
129.05457	1.7
130.86958	0.1
137.02278	0.2
137.06010	0.2
139.03865	0.9
145.04927	0.6
147.06494	0.6
151.00397	0.1
151.03883	0.8
153.01804	7.1
154.76822	0.1
157.09711	0.2
163.03810	0.1
165.01802	0.7
166.02533	0.2
177.05444	0.2
201.05440	0.6
203.03369	0.2
217.04929	0.5
218.05612	0.5
228.04054	1.1
229.04895	3.0
231.02818	0.1
243.06505	0.2
245.04375	0.8
246.05159	1.7
257.04413	2.7
260.03033	0.3
261.07553	0.2
273.03894	1.8
274.04633	5.3
284.03052	0.3
285.03891	4.5
286.04541	0.1
302.04150	15.4
303.04501	0.1
317.06491	100.0
318.06860	1.0
330.14380	0.2
476.79800	0.1
479.12045	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	623.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18964	1.0
56.69660	0.9
56.96558	100.0
57.07071	6.3
60.68925	1.2
67.05492	2.7
71.04996	1.2
71.95252	2.6
73.59740	1.0
74.71039	1.1
74.97608	2.1
79.05484	2.2
80.74226	1.0
81.03407	1.4
81.07030	8.7
82.94530	1.3
83.08615	1.2
84.96014	10.7
85.06508	1.8
91.05454	5.7
92.09269	2.4
93.07016	5.7
95.04958	1.6
95.08630	2.9
98.97563	45.3
105.07027	5.5
107.08595	7.1
109.06526	1.1
109.10143	2.8
116.98600	49.3
117.07003	2.1
119.08543	2.7
121.10179	1.7
123.11646	1.2
131.00201	1.4
131.08527	2.2
133.01712	3.0
133.10144	2.4
134.99635	31.2
135.08038	2.0
137.02724	6.2
141.02208	2.7
143.00188	9.7
145.01711	2.3
147.03256	2.2
151.11102	1.4
153.00706	7.0
155.03781	12.8
157.01770	2.4
159.03235	10.7
159.11671	5.2
161.01208	17.0
161.04781	2.0
165.02220	1.9
167.03780	4.6
169.01715	6.1
171.03279	6.2
173.04825	2.6
175.02736	1.3
175.06390	1.4
177.04356	6.0
179.02312	1.7
181.05310	2.2
183.03308	11.0
185.04771	10.0
187.02769	1.9
187.06462	2.1
189.04268	2.7
191.18034	1.8
193.01750	4.2
193.07462	2.0
195.05339	6.3
197.01131	1.6
197.04823	2.6
199.02687	5.6
199.06349	8.6
201.04330	17.6
201.08031	4.6
203.04202	1.3
203.05882	10.5
205.05325	3.0
205.07431	1.4
207.06981	2.9
209.04811	1.4
209.08469	5.7
211.02765	7.7
211.06387	5.8
213.04315	2.2
213.07851	1.8
215.05922	1.3
217.07417	17.2
217.15973	1.2
219.05400	7.7
221.04834	2.2
221.08499	2.0
223.06384	9.6
224.97627	1.1
225.04269	2.4
225.07953	5.5
227.05836	1.8
227.09468	9.3
229.07437	15.8
233.12230	1.6
235.06378	10.9
235.08463	4.2
237.07980	6.5
239.05809	1.9
239.09535	12.5
241.07381	6.7
241.11162	5.8
247.08206	1.7
247.13730	1.8
250.05164	4.5
251.05847	2.6
251.13127	2.8
253.07439	37.3
255.09067	7.2
257.10538	16.7
259.12131	1.6
261.11591	1.7
263.09604	1.6
263.13202	4.8
265.11133	8.8
265.14432	1.6
267.08670	1.8
268.06192	6.8
269.10574	2.3
271.08481	34.7
273.11710	2.1
275.13110	6.0
277.11102	1.8
279.09656	2.2
279.12552	14.8
281.10666	5.8
281.14249	23.4
283.12149	9.4
291.12656	16.0
293.10904	2.6
293.14136	23.9
295.12054	6.4
297.10336	3.0
297.13550	19.8
299.15265	26.6
305.14279	1.6
309.13626	27.3
311.11752	4.2
311.15161	51.2
313.13144	14.0
317.14136	2.2
325.13107	1.3
327.14853	7.1
329.16299	26.1
333.13678	2.0
335.15280	18.0
351.18399	1.9
353.16281	71.6
369.15829	12.6
371.17322	21.5
395.20706	4.7
401.19971	3.0
403.21570	12.6
407.17267	1.5
413.22293	2.2
419.20819	9.1
421.22443	14.8
435.23843	2.2
441.22781	1.4
445.26315	2.6
457.26129	2.0
471.24030	16.3
489.25269	7.0
527.30334	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	623.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31598	0.6
53.68436	0.7
54.23144	0.6
55.05501	1.6
56.96559	100.0
57.07069	8.4
67.05486	1.5
69.03408	1.5
69.07063	1.2
71.04929	0.7
71.95248	2.0
74.97595	1.8
79.05484	3.5
81.03385	0.8
81.07038	5.2
84.96020	1.5
85.06529	1.7
86.67829	0.8
91.05447	2.0
93.07027	5.9
95.04958	2.0
95.08583	2.1
97.02873	1.2
97.06476	0.9
98.97567	43.6
99.70720	0.7
101.45482	0.7
105.07014	4.4
107.04878	1.0
107.08569	5.6
110.97510	1.5
115.00649	1.5
116.98605	51.7
117.07034	0.8
119.08554	3.0
121.10110	3.3
131.00146	1.1
131.04912	0.9
131.08559	1.9
133.01717	5.2
133.10094	1.3
134.99654	31.5
135.08034	3.4
137.02727	3.5
141.02217	1.5
145.01703	4.2
145.10112	1.9
146.99661	1.6
147.03342	1.3
147.11588	1.1
149.01176	1.0
151.07504	3.9
151.11125	1.0
153.00691	5.8
155.03821	5.7
157.01720	1.7
158.01189	1.0
159.03278	8.0
159.11658	1.1
161.01195	0.9
161.04826	1.7
167.03709	3.1
169.01677	1.4
170.57266	0.9
171.03183	5.8
173.04796	1.6
175.02840	1.0
175.06400	3.3
176.66943	0.9
177.04326	5.7
181.05287	1.4
183.03305	8.9
185.01170	1.2
185.04832	7.2
187.02780	1.9
187.06477	2.4
189.00778	0.9
189.04381	1.8
191.05978	1.0
193.01663	5.9
193.07396	1.5
195.05344	4.1
197.04771	1.4
199.06357	6.3
201.04343	18.1
201.07973	4.5
201.16350	3.6
203.05946	8.1
205.07469	1.7
207.06943	1.2
209.04974	1.7
209.08473	4.4
211.02733	5.9
211.06369	3.7
213.07973	1.2
215.05901	3.2
217.05400	1.3
217.07433	14.9
217.15819	1.2
219.05348	5.5
219.08853	1.8
221.04933	1.3
223.06393	4.8
223.09999	1.5
225.04303	4.2
225.07967	3.3
227.05925	3.2
227.09502	6.2
229.03853	1.0
229.07434	7.9
231.08984	1.1
235.06279	4.3
235.08504	5.6
239.09456	7.6
241.07491	1.3
241.10991	4.7
243.05333	1.9
243.08887	1.5
245.10530	1.4
249.11569	4.8
250.04973	4.4
251.05846	3.6
252.06982	1.0
253.07426	23.9
253.10469	0.8
253.11217	1.0
255.09004	1.3
255.12447	1.3
257.10562	13.7
263.09506	1.5
265.11096	1.9
267.12662	12.8
268.06113	9.6
269.06955	0.9
271.08481	23.9
273.11713	1.1
275.13211	1.3
279.12582	5.2
281.10605	1.7
281.14169	5.2
283.12125	1.6
285.13654	4.7
291.12650	14.5
293.10892	2.3
293.14136	20.9
297.13577	8.4
299.11868	1.5
299.15161	7.3
307.11829	1.1
309.10522	1.1
309.13745	17.3
311.11871	2.6
311.15228	22.0
313.13217	3.2
327.14795	4.3
329.16251	2.0
333.13721	5.2
334.17252	1.0
335.15167	12.9
341.16245	1.3
351.14774	1.7
353.16248	32.5
369.15735	10.9
371.17471	10.5
387.16772	1.1
395.20764	3.8
403.21643	1.3
413.22058	1.1
419.20755	1.7
421.22650	13.9
437.22098	4.4
445.26062	1.5
471.24396	1.1
489.25101	9.7
545.30847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.05499	1.1
56.96553	100.0
57.07062	7.1
58.47254	0.5
58.63617	0.8
60.92962	0.5
64.87455	0.6
67.05492	3.6
67.73812	0.5
68.11599	0.6
69.03407	0.7
69.07064	1.1
69.70011	0.6
71.95235	3.1
74.97609	3.2
79.05459	3.1
81.03383	1.0
81.07042	5.5
84.96019	2.6
85.06527	2.9
91.05459	4.4
92.98650	0.8
93.07025	5.5
95.04935	0.9
95.08569	2.3
97.06494	0.7
98.97556	40.0
105.07047	5.3
107.08576	3.1
109.06508	2.7
109.10128	2.6
110.53203	0.7
115.00690	1.4
116.98593	48.7
117.07008	0.9
119.08591	2.5
121.06516	0.8
121.10089	0.7
127.00697	1.1
128.98575	0.8
131.00186	0.8
131.08580	1.4
133.01686	3.1
133.10117	1.5
134.99626	35.8
135.08073	4.8
135.11642	1.3
135.47466	0.6
137.02696	3.4
137.09547	0.7
145.01730	2.4
145.10121	4.1
146.99641	1.3
147.03337	1.6
149.09578	1.0
151.07527	3.7
151.11212	1.1
153.00720	5.9
153.02188	1.0
155.03754	6.6
157.01721	1.5
158.01305	0.9
159.03250	7.1
159.11652	1.1
161.01196	1.0
161.04724	0.9
165.04335	0.8
167.03790	1.5
167.07002	0.9
169.01715	1.5
170.99483	0.6
171.03261	6.3
173.01221	0.8
173.04831	4.5
173.13379	0.8
175.02791	2.4
175.06404	3.0
177.04282	7.9
179.03761	0.7
181.05336	0.9
183.03214	6.7
185.01231	3.1
185.04843	8.3
187.02785	3.1
187.06410	1.6
189.00662	1.2
189.04367	2.7
191.03802	0.9
191.05779	0.9
193.01697	4.9
193.07431	1.1
195.05345	3.4
195.06918	0.8
197.04843	2.7
199.02739	0.7
199.06383	6.0
201.04294	18.7
201.08026	5.4
201.16356	3.1
203.05850	8.6
205.05533	0.8
207.03413	0.9
207.06882	1.1
209.04871	1.5
209.08464	3.5
211.02786	5.9
211.06418	2.8
213.07982	1.5
215.05869	2.6
217.07422	13.3
217.16035	0.8
219.05325	6.5
219.08981	2.8
221.08554	1.0
223.06430	4.5
223.10052	2.7
225.04324	4.2
225.07956	3.5
227.05905	3.8
227.09387	5.8
229.07445	8.3
233.04916	1.1
235.06372	5.6
235.08492	3.5
239.09503	5.5
241.07445	3.9
241.11093	3.9
242.04669	1.0
243.05377	1.4
243.08934	1.4
247.10175	0.8
249.07881	0.9
249.11496	4.8
250.05074	3.7
251.05888	3.4
251.09521	0.9
251.13327	0.9
253.07402	24.1
253.10432	1.2
253.10947	1.0
255.08939	1.0
257.10504	12.0
261.11383	0.8
263.09375	1.3
265.11038	4.6
267.09549	0.9
267.12598	13.5
268.06000	6.7
269.06796	2.7
269.10605	0.8
271.08459	21.4
275.13351	0.9
276.67023	0.8
279.12643	6.5
281.10645	2.8
281.14185	5.8
283.12204	1.4
285.13712	3.9
287.11566	0.7
289.09515	1.0
291.12610	12.9
293.10870	1.3
293.14136	18.3
295.12143	1.3
295.15466	0.9
297.13580	8.4
299.11688	2.3
299.15250	7.4
309.13693	15.2
311.11633	2.4
311.15167	19.4
313.13208	3.6
315.14902	0.9
317.14194	1.2
323.15155	0.9
325.13205	1.0
327.14786	2.8
329.16241	3.2
333.13593	5.4
333.17401	1.2
335.15237	11.6
341.16284	1.1
351.14746	3.2
353.16248	35.6
369.15759	16.1
369.20013	1.0
371.17383	10.5
377.20193	0.8
395.20969	4.1
403.21439	2.8
407.17072	1.3
413.22055	1.2
419.20834	4.0
421.22430	9.3
435.23828	1.1
437.21878	3.2
453.22906	1.3
471.24188	1.4
489.24988	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	623.2862
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.03915	0.9
55.05504	3.7
56.51897	0.8
58.77870	0.8
60.62826	0.9
67.05491	2.4
69.07041	3.4
77.95862	0.9
79.05496	5.2
79.47135	0.9
80.40466	1.0
81.07047	11.0
83.04987	1.4
90.93500	0.8
91.05475	7.1
93.07038	13.1
94.07349	1.1
95.04964	4.7
95.08604	5.7
101.17163	0.9
105.07034	9.0
107.08583	7.3
109.06567	1.0
109.10172	1.9
115.61607	1.0
117.07074	0.9
118.47630	0.9
119.08601	4.9
121.10130	4.4
123.08073	1.5
133.10114	1.9
135.08046	1.8
135.11696	3.7
145.10129	6.5
147.11693	1.8
151.11150	1.0
157.10095	1.1
159.11746	1.3
161.13199	1.1
161.42741	1.0
169.67831	0.9
340.13113	1.0
402.18741	1.2
404.19958	1.2
405.20242	1.9
420.22855	1.9
429.20874	7.9
433.19305	1.7
443.22552	4.0
444.23062	1.6
446.20496	1.1
447.21371	4.9
448.21881	1.4
449.22632	3.9
454.70563	1.1
458.24689	1.7
459.21747	4.3
462.20566	1.8
471.21747	1.9
472.22803	1.9
473.23618	1.9
475.21222	5.0
476.21658	5.5
477.22559	3.7
485.23276	5.6
487.25076	2.1
503.24509	3.8
517.26251	4.7
531.24072	5.2
534.25421	1.9
545.25366	48.5
562.25116	11.4
563.25964	22.0
585.22296	1.2
605.27521	4.4
622.27374	13.7
623.28387	100.0
624.28656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76723	0.7
51.02752	0.7
54.54363	0.8
56.99166	0.7
59.73911	0.8
68.22742	0.9
70.07347	0.8
81.07029	1.6
90.49843	0.8
91.05436	0.8
92.53485	0.8
93.07057	1.7
103.71107	0.8
105.07024	3.4
105.65273	1.0
111.09088	0.9
119.20361	1.0
187.55093	1.0
210.29161	1.0
232.60289	0.9
376.16998	1.2
378.18558	1.3
389.18719	1.0
390.18405	1.6
391.19220	4.1
392.19971	1.6
401.17560	1.3
405.20822	5.3
406.21371	4.2
407.22211	16.0
413.17780	2.0
414.18484	1.3
415.19287	6.8
419.22723	1.2
420.22971	3.7
421.23578	13.0
422.24777	1.8
427.19153	1.4
428.19989	3.3
429.20828	12.2
430.21677	3.7
433.19812	1.8
441.21292	1.2
443.22394	10.7
444.22998	5.3
447.17664	1.7
456.19568	1.3
457.23807	5.2
458.24820	7.4
459.21249	6.7
460.22052	1.3
461.19705	5.0
462.20117	3.2
470.21225	1.1
471.21799	2.1
472.22986	6.7
475.21094	9.5
476.22040	5.4
477.22720	4.6
478.23654	1.4
485.23621	16.4
486.19742	2.2
486.24136	1.8
489.23050	1.6
493.26181	1.2
499.21121	4.5
500.22183	3.3
503.24667	8.9
513.23206	5.1
514.23798	1.3
517.26019	8.7
529.26111	1.5
535.27008	7.1
545.25464	92.7
546.25964	1.3
564.27008	1.7
573.24768	23.1
605.27533	89.3
606.27777	2.0
623.28595	100.0
624.28857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09993	0.6
55.01871	6.3
57.03429	7.2
60.12976	0.6
60.62488	0.7
61.02908	3.4
67.05483	0.9
69.03412	9.6
71.01327	0.9
71.04963	1.5
72.85188	0.7
73.02907	5.8
75.54576	0.7
81.03390	1.7
85.02892	17.3
87.04448	1.1
89.99011	0.7
91.05457	7.6
92.64422	0.9
97.02869	10.4
103.05447	1.2
105.07017	15.5
109.02834	1.7
115.03899	3.6
115.05453	2.7
117.06994	11.3
119.08549	4.4
121.06443	2.7
127.03889	2.9
128.06221	1.5
129.06989	15.4
130.07716	0.8
131.07631	1.4
131.08553	26.7
133.04903	3.1
133.06483	1.6
133.09192	0.9
133.10112	17.5
141.06975	3.1
142.06657	1.1
142.07758	32.7
143.08473	5.4
144.09328	5.6
145.04895	1.5
145.06464	1.1
145.10095	7.4
146.07231	2.7
147.07957	1.1
155.08531	2.9
157.06508	1.4
157.10101	54.3
159.04416	1.3
159.08022	20.0
159.11664	8.3
161.09602	24.2
167.08521	1.8
171.08009	1.5
173.09558	4.1
174.76003	0.8
175.07460	1.2
175.11163	5.4
177.05428	1.7
177.09062	6.1
185.09583	33.6
187.07484	4.5
199.07689	1.3
201.08980	6.2
203.10593	6.5
205.04851	4.0
205.08582	42.2
215.06989	11.0
217.08554	1.3
219.10127	16.3
223.05960	3.4
229.08560	3.8
233.08067	3.9
240.80678	0.8
245.08147	1.1
247.09595	38.2
263.09067	4.6
265.10641	30.7
275.09079	100.0
293.10107	13.6
311.11179	39.3
473.16479	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	622.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	21.0
61.02908	0.7
69.03412	3.2
70.02964	0.5
72.04525	0.5
74.00645	3.0
76.02213	0.4
76.03955	0.5
83.06094	3.6
84.04489	33.7
85.02908	6.6
89.04638	0.5
97.02900	2.5
97.34754	0.6
98.05959	0.6
99.02650	0.9
107.47553	0.6
109.02833	1.3
112.03949	24.0
112.04713	1.1
123.04405	2.1
127.02103	7.6
127.03809	0.9
129.06569	8.7
130.04979	91.4
131.04869	1.1
139.02179	0.6
142.05019	0.6
146.05995	0.7
146.48531	0.5
147.02603	18.9
149.00546	2.2
152.04662	7.1
155.01587	26.3
162.66370	0.6
163.02087	0.6
165.03717	2.1
167.01598	11.6
168.02371	4.3
169.03157	0.6
175.02077	22.5
181.06026	0.8
185.02641	16.8
193.03156	100.0
197.06091	0.5
198.88535	0.6
200.22449	0.6
203.01685	0.9
208.06126	0.7
211.04195	11.6
213.95419	0.5
221.02629	0.9
225.09877	0.5
226.86099	0.6
228.06837	1.0
238.05353	1.2
246.05138	0.5
268.06323	0.6
291.08469	0.7
296.05835	12.7
314.06866	8.8
331.09528	42.9
365.43915	0.7
385.10605	10.1
390.12115	0.6
397.10611	0.9
441.09341	0.8
460.13800	37.6
622.18488	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	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10179	0.4
57.56765	0.4
65.98384	0.4
67.05502	0.7
79.05481	0.5
81.07047	2.6
91.05480	2.4
93.07044	2.2
95.08590	0.9
101.49056	0.4
105.07039	1.0
107.08611	1.9
110.02863	0.4
119.08617	0.7
121.06503	0.6
121.10139	1.0
123.08051	0.6
131.08498	0.4
133.10146	1.8
135.11650	0.9
145.10165	2.9
147.11681	0.6
159.08011	0.4
159.11732	0.9
168.75626	0.4
182.09621	0.6
195.12047	0.4
198.01552	0.4
199.85902	0.5
201.16380	0.5
209.10692	0.6
211.12485	0.4
221.10732	0.7
227.59167	0.4
365.21124	0.4
374.15286	0.6
375.16089	1.0
376.17258	0.7
387.16110	0.9
388.16876	1.0
389.17520	5.2
390.18478	2.9
391.19199	0.7
401.17923	1.7
402.18451	1.9
403.14780	0.5
403.19235	9.2
404.19928	4.2
405.20709	2.0
415.19376	1.6
416.15802	1.0
416.20514	0.9
417.16095	6.4
417.21133	4.3
418.22052	0.7
419.22238	11.8
420.23557	0.6
430.17746	2.2
431.17969	11.4
432.19312	2.7
433.20078	3.1
443.18747	0.5
444.19418	0.8
445.20074	8.8
446.20807	6.3
447.21719	14.4
459.17856	2.4
459.22644	1.7
460.18250	1.4
473.19720	3.1
473.24960	0.6
474.20313	14.0
475.21176	20.6
487.21167	6.1
488.21521	1.4
491.20853	0.7
501.22833	3.5
502.23453	0.6
503.20709	0.9
505.25949	1.0
518.23431	0.7
529.22339	0.7
533.25439	15.8
561.24884	80.0
562.25708	0.8
589.24542	0.9
593.27490	2.9
621.26984	100.0
622.26624	0.9
649.28235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.4
53.03923	1.4
55.01870	3.3
57.03412	1.4
57.91834	0.3
65.03919	1.4
67.05474	0.6
69.03409	1.3
75.04446	2.1
75.71452	0.3
77.03884	0.4
78.04673	0.6
79.05469	7.9
81.03377	0.8
81.06982	0.3
81.28786	0.3
85.02893	4.3
88.41393	0.4
89.00725	0.3
89.03914	0.3
91.05461	11.5
92.06223	0.4
93.03383	5.7
93.07018	4.9
95.04937	4.7
97.02856	0.6
97.06487	2.2
103.05449	9.1
104.06222	0.7
105.04480	0.4
105.07011	34.6
106.04152	12.3
107.04953	9.5
107.08567	0.4
108.05696	1.9
109.06485	3.9
111.04396	0.6
115.05437	2.5
117.03345	0.4
117.06982	0.8
118.04142	11.8
119.04924	5.8
120.05681	0.8
121.06482	15.5
122.03631	0.5
122.07228	2.0
123.04382	1.7
123.08044	3.5
124.05148	4.0
125.05967	5.6
127.03902	0.7
128.91278	0.3
131.04926	3.6
132.05672	1.5
133.06465	40.9
134.03601	2.1
134.07201	1.7
135.04390	5.1
135.08037	8.4
137.05956	12.5
138.06712	0.5
139.07539	2.5
145.02818	0.7
145.06432	0.5
146.03598	1.3
147.04350	1.8
147.08040	0.5
148.05214	3.9
149.05959	27.6
150.06744	21.8
151.03917	0.7
151.07529	9.0
152.08301	0.5
153.05461	1.6
153.09088	5.3
161.05949	9.5
163.03882	3.6
163.07495	6.2
165.05426	0.7
165.09082	25.5
166.06233	0.7
167.07001	24.6
175.07500	0.5
177.05420	13.8
178.06238	3.2
179.06998	3.8
180.07671	0.5
181.08559	11.6
191.06981	2.7
192.07707	0.4
193.08568	100.0
194.08955	0.7
195.06505	0.7
195.10196	3.4
205.05353	0.4
209.08058	54.4
211.09621	93.5
212.09959	0.5
213.11157	0.6
217.80774	0.4
298.15704	0.4
314.47449	0.3
321.44614	0.4
391.17334	2.4
403.17343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.29943	0.6
53.67884	0.6
69.25879	0.8
71.76398	0.8
80.29719	0.9
90.95149	0.7
91.01494	0.7
93.06993	0.9
95.08584	0.9
95.23117	0.9
102.23853	0.7
105.07175	0.7
106.31461	0.8
107.95592	0.8
135.01830	0.8
140.51022	0.7
205.75374	0.9
275.51596	0.8
311.13333	0.8
323.47562	1.0
389.17258	2.9
401.17841	1.1
403.18985	6.1
404.20099	1.6
405.20859	1.3
417.16562	2.8
417.21323	2.7
419.22253	8.3
420.22980	1.0
430.17264	1.0
431.18121	9.5
432.19193	1.3
433.20105	3.3
445.20129	8.1
446.20706	8.4
447.21683	11.3
459.22177	1.0
474.20612	7.0
475.21201	11.0
487.21375	3.7
501.23074	1.5
533.25458	17.6
561.16809	1.1
561.24896	29.1
589.24078	1.0
593.27087	5.7
621.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03937	0.4
55.01866	4.8
55.05491	1.9
57.03171	0.4
57.03429	8.2
57.07067	0.5
59.04979	0.7
61.02916	3.7
61.60905	0.2
67.05489	0.5
69.03066	0.5
69.03418	8.8
69.07050	1.5
71.01328	2.1
71.04980	0.5
72.04492	0.6
73.02901	9.6
79.05479	0.4
81.03399	1.3
81.07039	4.6
82.11432	0.3
83.04978	0.5
83.08603	1.3
85.02892	23.4
85.06548	0.4
87.04451	1.4
91.05453	1.5
93.07015	0.7
95.08578	1.3
97.02868	10.0
97.10141	2.9
99.04424	1.1
103.03917	1.4
105.07002	1.8
107.04912	2.3
107.08559	1.4
109.02854	1.5
109.10149	1.4
115.03909	5.9
121.06475	0.5
122.40106	0.3
123.11662	4.6
127.03891	4.2
131.08569	0.7
132.06490	1.4
133.04961	5.3
133.06462	10.0
133.10056	0.4
135.08087	0.4
137.05960	0.7
137.13264	0.4
137.79688	0.3
139.07437	0.3
145.04950	3.7
145.06430	1.0
145.10094	0.4
147.08020	10.1
149.09599	100.0
150.07574	2.1
150.09973	1.2
151.07539	0.3
157.07555	0.4
159.08023	1.4
161.09595	4.0
163.05968	0.4
163.07510	0.3
163.11197	2.7
167.14302	0.7
171.07968	0.4
173.09531	1.4
175.11160	10.3
177.09007	0.3
185.09599	0.6
187.11139	1.6
189.12709	23.2
201.12689	2.3
203.14284	4.8
215.14313	0.6
223.06007	0.4
226.36919	0.3
241.07080	0.6
241.15808	0.5
243.17395	1.4
259.08139	1.2
277.17725	1.2
278.17990	0.3
283.20398	0.4
285.22070	19.7
286.22360	0.3
295.10422	0.5
301.21576	2.7
303.23132	22.1
426.68457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03411	1.3
64.78316	0.3
69.03397	1.3
71.04926	0.4
77.88355	0.3
79.05446	0.8
81.03420	0.6
81.07011	0.6
85.02890	4.9
91.05450	5.3
93.07010	0.7
95.04938	1.7
96.93248	0.3
97.02863	1.4
103.05445	6.1
105.06997	1.6
106.85061	0.4
107.04949	2.2
107.08575	0.3
109.06506	1.4
115.05415	0.7
117.07011	2.8
119.04914	3.5
121.06474	3.1
122.03614	1.7
123.04388	0.4
123.08002	0.7
125.05936	0.4
127.03882	0.4
128.06200	1.7
129.06973	4.4
131.04897	15.4
131.08531	3.2
133.06450	1.6
133.10078	0.4
135.08029	1.4
136.05147	0.5
137.05948	39.5
141.06905	0.4
143.04939	0.4
143.08554	1.4
144.05624	1.6
145.06451	1.9
146.03580	0.4
147.07977	0.5
149.05966	3.5
149.09570	0.5
150.06638	0.5
151.03915	0.5
151.07510	22.6
153.01947	0.3
157.06454	3.9
158.07240	0.4
159.07997	5.1
160.05180	0.5
161.05937	5.0
161.09598	2.0
162.06720	2.6
163.07503	31.7
165.07010	0.5
165.09052	0.4
167.06978	1.8
167.08507	1.9
170.07199	0.4
171.07977	1.8
173.05806	0.4
174.06735	1.9
175.07498	5.8
177.09068	100.0
178.07796	0.3
178.09433	0.5
179.08437	0.4
181.04910	0.4
187.07457	3.1
189.09053	9.1
191.06993	0.4
191.08525	0.4
193.06441	0.4
193.08485	0.5
193.10097	0.8
194.07393	0.4
195.08025	3.5
195.10114	1.8
201.09113	0.5
203.08765	0.3
203.10684	1.4
204.07784	1.4
205.08476	1.3
207.10176	0.5
209.05901	0.4
210.06656	1.1
211.07617	0.4
211.09648	0.6
212.08295	0.6
219.10083	2.5
221.05957	1.7
221.09615	2.1
221.11632	12.7
223.07507	1.5
224.08273	0.4
224.75270	0.3
225.09030	1.5
227.10599	5.1
231.10132	0.7
237.09077	0.8
237.11171	6.1
240.07764	1.5
249.09157	1.2
249.11168	23.8
253.08551	3.2
253.12238	2.6
255.10071	5.5
263.78711	0.3
265.08530	0.7
267.09906	2.2
269.08163	1.1
269.11383	0.4
270.08823	0.5
271.09470	0.5
272.10309	1.6
281.11621	0.5
283.09573	0.6
284.10403	0.6
285.11096	3.6
286.12009	1.3
287.12729	5.1
297.11252	0.5
298.12012	0.6
299.12582	1.5
311.12744	1.4
313.14285	6.3
316.13077	1.4
327.12094	0.5
330.14514	5.3
331.11749	0.5
331.15302	5.8
336.27625	0.5
342.14554	2.0
343.15274	0.5
405.18967	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	614.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04025	0.5
54.81641	0.4
55.01843	0.6
57.03419	2.3
64.33265	0.6
69.03404	1.0
71.04939	0.4
75.89159	0.4
79.05476	0.5
81.03423	0.7
81.07050	0.6
81.13380	0.4
84.49957	0.4
85.02895	3.6
91.05464	6.1
92.08695	0.9
95.04927	1.1
95.08634	0.7
97.02846	1.8
97.71956	0.4
98.85738	0.5
103.05442	5.7
105.07002	1.9
107.04947	2.2
109.06458	0.5
115.05390	0.7
117.06995	2.7
119.04916	5.4
121.05688	0.4
121.06470	2.4
122.03624	1.8
123.08035	0.9
128.06210	2.1
129.06978	4.8
131.04897	15.4
131.08537	4.0
133.06465	0.8
135.08052	1.9
136.05151	0.6
137.05957	42.3
141.06989	0.7
143.08554	1.9
144.05704	0.9
145.06461	3.1
147.04401	0.7
147.07895	0.5
149.05963	4.5
151.07524	22.2
157.06418	4.4
158.07173	0.5
159.08032	6.9
161.05919	4.3
161.09610	2.1
162.06725	2.3
163.07515	28.6
165.09108	0.7
167.07010	1.9
167.08508	1.1
170.07170	0.7
171.08017	1.7
173.05946	0.8
174.06732	2.4
175.07503	6.1
177.09076	100.0
178.09341	0.6
181.06410	0.5
187.07504	5.2
189.09058	11.8
193.06496	0.8
193.10088	0.7
195.08057	2.8
195.10178	2.2
203.06947	0.7
203.08659	0.5
204.07835	2.2
207.10057	0.5
208.62086	0.5
210.06726	0.5
211.07536	0.7
211.09572	0.6
215.25238	0.5
219.10138	2.7
221.06062	0.9
221.09724	0.9
221.11682	10.5
223.07472	2.2
224.08292	0.9
225.09158	0.9
227.07018	0.5
227.10634	4.7
231.10049	1.1
237.09042	0.7
237.11188	5.0
239.07158	0.8
240.07735	0.9
241.12114	0.7
245.72963	0.4
249.11179	31.1
249.80264	0.5
253.08615	3.4
253.12117	2.9
254.09363	0.5
255.10107	4.9
265.08591	0.8
267.09915	1.8
267.12433	0.8
269.08109	0.8
272.10364	2.1
281.11768	1.1
283.09729	0.5
285.11203	2.4
286.12079	0.8
287.12714	5.7
297.11069	0.9
299.12708	0.8
311.12671	0.6
313.14294	4.6
316.13077	0.7
327.12097	0.7
330.14496	4.6
331.15363	6.3
342.14465	2.6
405.19043	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05508	31.5
57.03413	4.6
57.07056	2.9
63.80999	2.6
67.05496	77.7
69.07063	26.9
76.20107	3.0
79.05476	44.2
81.07043	81.9
83.08616	15.0
88.33123	2.9
91.05453	31.1
92.08681	7.3
93.07028	55.5
95.04959	6.1
95.08593	68.8
97.06524	3.9
97.10147	4.0
105.07019	47.2
107.08572	23.3
109.10160	31.2
117.07006	12.5
119.08536	31.7
121.10133	30.2
123.11685	7.3
129.06941	5.3
131.08549	25.2
133.10123	31.6
135.11670	21.2
143.08548	7.7
145.10086	29.4
147.11699	17.5
149.13231	7.8
157.10060	4.2
159.11693	19.5
161.13234	3.7
171.11694	5.3
173.13165	7.4
175.14886	4.1
185.13339	4.5
187.14847	5.7
199.14967	3.4
218.11266	3.2
259.20526	4.3
261.22180	5.0
335.25827	18.9
337.27466	4.5
435.31836	4.3
595.47015	16.9
613.48120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05489	27.1
55.80175	4.6
57.03421	9.2
63.49263	4.6
67.05500	80.0
69.07049	22.8
74.83865	4.8
78.61621	5.5
79.05481	46.8
81.07045	93.5
82.58044	5.0
83.08584	8.5
90.06416	5.7
91.05435	31.5
91.42464	6.2
93.07021	72.8
95.04926	5.1
95.08591	76.3
105.06995	35.6
107.08586	40.0
109.10149	34.1
117.06990	24.6
119.08536	34.0
121.10110	25.9
123.11692	9.0
129.06989	6.7
131.08516	29.2
133.10098	31.6
135.11627	11.9
143.08519	6.2
145.10081	23.8
147.11665	13.9
149.13223	8.0
157.10046	9.1
159.11682	21.7
161.13206	8.0
171.11723	6.9
173.13271	9.4
201.16559	6.2
220.81163	5.1
261.22137	6.1
280.70035	6.9
335.25650	12.3
430.09097	6.6
439.29028	7.6
499.04266	7.6
563.76385	6.3
595.47034	12.6
611.42511	6.1
613.48029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3943
Annotation	Heloside B
Peak:m/z	Relative Intensity
53.03924	0.4
54.10014	0.2
55.05503	3.4
57.03440	0.2
57.07066	1.7
61.11723	0.2
67.05494	5.1
69.03407	1.7
69.07057	8.6
71.08591	0.4
74.48931	0.2
79.05473	3.9
81.07039	26.2
83.01273	0.4
83.04974	0.3
83.08590	3.3
85.02885	1.1
85.06525	0.3
91.05474	1.7
91.10300	0.2
93.06480	0.4
93.07024	6.2
95.04906	0.3
95.08585	17.4
97.02851	0.4
97.06487	0.3
97.10168	2.2
99.08076	3.7
102.80746	0.2
103.05404	0.3
105.07009	1.3
107.04925	0.4
107.08572	6.9
109.06498	6.3
109.10140	14.1
111.04407	0.2
111.11687	1.2
113.09621	0.2
119.08564	1.2
121.06486	5.2
121.10132	5.6
123.08015	0.4
123.11681	6.4
131.08527	0.9
135.08003	1.8
135.11687	4.6
137.05956	100.0
137.13217	3.4
138.06308	0.3
139.11145	2.1
140.98810	0.2
143.08531	0.3
145.10129	0.3
147.08061	0.4
147.11665	0.3
149.05966	1.3
149.09595	3.8
149.13248	5.2
151.07518	4.3
151.14827	1.2
159.07985	1.0
161.05907	1.7
161.13242	0.2
162.06769	0.9
163.07507	13.3
163.11188	0.3
163.14780	1.4
165.09050	0.3
165.16328	0.5
174.06706	0.4
175.07523	3.2
176.08302	0.5
177.09076	38.4
177.16347	1.0
178.09418	0.3
179.17903	0.3
187.07538	0.3
189.09068	3.1
191.10637	14.5
191.12379	0.5
191.17885	1.7
203.07042	1.3
203.10626	1.7
204.64139	0.2
205.12254	2.0
205.19482	1.7
217.12202	1.3
219.13768	0.4
231.13681	1.1
233.15294	0.3
245.15308	1.1
247.24132	0.5
257.15488	0.3
259.16895	0.4
261.18311	0.2
273.18384	1.1
287.19974	0.4
327.23160	0.3
341.24719	2.0
341.28250	0.2
397.30945	9.9
415.31979	35.7
416.32230	0.4
433.33124	1.4
444.59027	0.2
579.52161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00831	0.4
55.05508	6.8
57.03410	0.5
59.04984	4.4
61.02911	0.5
64.33235	0.5
67.05498	0.9
69.03420	0.8
79.05446	0.5
81.07043	5.5
83.08607	11.9
85.02887	23.7
85.06529	51.4
92.63846	0.6
97.02893	0.8
101.05999	2.2
103.03924	100.0
109.06503	5.3
119.66283	0.6
127.03898	1.0
127.07532	30.9
128.89348	0.5
139.03888	7.1
145.08582	96.9
156.40459	0.5
192.71495	0.6
234.99025	0.9
307.13879	2.2
400.13043	0.5
442.23978	0.6
444.48233	0.5
466.95544	0.6
530.45288	0.6
594.10645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85826	0.2
55.93820	0.2
62.95109	0.2
69.03424	0.3
71.04970	0.5
74.02420	1.0
85.02886	1.0
91.05473	0.4
97.02864	0.3
98.95798	0.2
115.05406	0.4
117.05746	0.7
117.06982	1.7
118.06513	21.0
123.04385	0.9
127.03905	0.9
130.06479	1.7
132.08057	7.1
139.03876	1.3
142.06494	2.4
143.07292	2.7
144.04443	0.4
144.08067	16.4
146.05984	80.9
147.06374	1.0
151.03874	1.1
159.09142	7.9
160.07564	1.2
170.05971	6.0
179.03448	0.3
188.07028	100.0
189.07410	1.4
205.09686	33.1
287.05502	0.5
311.75232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61468	1.2
55.05495	2.1
55.69274	1.1
56.80088	1.1
57.03440	18.9
60.71859	1.2
69.03420	27.2
69.04569	1.2
70.17014	1.4
71.04981	61.5
73.02885	4.9
75.04462	8.4
81.03406	2.6
83.04954	12.8
85.02898	100.0
87.04454	13.4
89.83666	1.1
90.30752	1.1
95.04993	1.7
97.02880	32.1
99.04434	6.2
107.13724	1.3
109.26681	1.3
111.04432	9.1
115.03922	19.5
123.04446	2.0
127.03899	7.9
129.05457	25.0
133.04950	7.0
137.02322	5.2
139.03902	5.6
145.04932	5.0
147.06537	15.7
155.03410	2.9
171.06535	2.6
225.07631	5.1
227.36972	1.3
243.08633	7.2
261.09683	7.2
279.10727	6.3
309.11398	1.8
315.87646	1.3
324.12131	1.4
339.11093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.176
Annotation	Taxifolin 3-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.55903	0.4
52.79206	0.5
52.84462	0.6
53.03927	0.7
53.46241	0.5
55.01855	1.2
55.05501	2.7
57.03427	17.0
57.38307	0.6
59.04970	2.7
61.02910	2.9
61.05426	0.5
61.87754	0.6
65.03941	0.7
65.91724	0.5
66.82008	0.5
67.05509	0.6
68.44901	0.5
68.99781	2.9
69.03413	11.3
71.01336	0.7
71.04977	76.2
73.02882	4.5
75.04471	4.6
76.60158	0.7
79.47923	0.6
81.03388	2.4
81.50922	0.6
82.69729	0.6
83.04956	7.9
85.02888	96.0
85.50553	0.6
87.04474	3.0
95.04945	3.9
97.02869	6.7
99.04427	1.3
105.03370	1.3
107.04937	0.9
109.02866	1.4
111.04434	9.3
121.02828	8.8
123.04401	71.3
127.03866	4.7
129.05455	17.2
133.02812	2.8
135.04456	4.8
135.17805	0.6
137.02348	1.3
137.73419	0.6
139.03891	6.1
145.04906	1.0
147.04390	0.9
147.06500	7.1
149.02319	86.4
150.03102	3.3
151.03845	4.3
153.01805	100.0
154.02370	0.6
155.06064	0.6
157.06496	3.3
161.02310	6.7
161.05931	0.7
163.03886	2.4
165.01828	3.8
167.03360	16.9
167.04726	0.9
173.02296	2.5
175.03934	0.7
175.07431	2.1
177.01772	2.5
179.03349	2.6
179.71814	0.6
183.02931	2.7
185.05963	7.7
187.03917	0.8
189.05405	1.3
191.03355	1.4
195.02853	26.2
203.03355	3.8
203.06982	2.8
213.05447	14.6
217.04817	2.0
219.02866	2.6
231.06471	65.7
241.04938	8.9
245.04434	3.0
255.06326	0.9
258.05197	3.1
259.05942	58.1
263.05463	2.7
269.04312	0.9
273.07440	1.0
281.06448	1.0
282.20602	0.6
283.05975	1.3
287.05453	23.9
287.08710	0.9
299.07669	0.6
301.06870	2.1
305.06491	99.8
311.05392	1.4
317.06253	0.9
325.07193	0.8
329.06458	1.5
347.07532	3.5
371.07584	2.5
397.09146	1.4
415.10217	3.2
433.11118	2.6
451.12201	3.5
468.67593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	8-C-Glucosylquercetin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
52.81611	0.7
55.01865	1.3
57.03415	2.9
65.03932	0.6
68.84058	0.6
68.99776	1.1
69.03408	1.2
71.04967	3.9
73.30418	0.7
81.03391	1.7
83.04961	0.9
85.02884	10.3
89.70013	0.7
91.05431	1.3
95.04969	1.1
95.08553	1.4
97.02863	1.1
105.06979	1.3
107.04913	0.9
109.02871	1.4
111.04425	0.8
121.02836	1.6
123.04403	12.1
127.03903	0.9
133.02823	8.0
137.06004	1.0
139.03868	1.3
140.04692	1.0
149.02307	0.7
150.03072	3.7
151.03883	26.9
153.01823	19.7
155.06981	1.1
161.05978	0.8
163.03915	2.9
165.01814	6.0
167.03412	9.4
171.02853	1.3
175.03979	1.0
177.01764	6.9
179.03377	8.0
181.04935	6.8
183.02881	3.7
187.03931	1.1
189.05344	1.3
191.03392	5.8
193.01106	1.0
195.02859	29.5
199.03934	1.1
205.04945	11.7
207.02858	3.5
207.06430	0.8
215.03273	1.0
217.04936	7.6
219.02931	5.0
219.06432	1.0
224.67950	0.8
229.04964	1.0
233.04289	1.1
243.02838	0.9
245.04298	0.8
259.05948	3.9
261.03879	4.3
275.05566	1.3
287.05453	1.1
288.06143	1.1
298.04532	0.8
299.05383	4.7
299.08566	0.8
300.06311	1.2
302.04071	0.9
303.04922	7.7
311.05539	1.4
315.04913	78.9
316.05698	25.9
317.06314	1.0
327.04922	16.9
329.06494	17.9
334.18451	0.8
339.04953	1.5
340.05789	1.4
341.06470	5.2
343.04413	1.6
344.05002	0.7
345.05991	100.0
346.06436	1.7
353.06525	1.6
355.04382	1.8
355.08148	14.7
357.05942	4.3
369.05988	24.6
375.07013	8.8
381.06134	1.4
383.07471	9.5
387.07071	1.4
393.05768	4.0
399.06976	9.4
401.08749	1.0
411.07007	10.3
429.08078	26.3
447.09186	19.8
465.10196	93.6
466.10120	1.0
578.67773	1.1
611.15900	27.1
634.92194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
56.77532	0.5
57.03436	0.6
68.99805	0.6
69.03394	1.0
81.03411	1.3
85.02898	2.9
91.05459	3.3
97.02877	1.1
101.18082	0.6
109.02898	0.9
111.70393	0.6
121.02881	1.1
127.03919	1.2
135.04376	2.6
137.02319	7.2
139.03899	1.4
141.01825	0.6
147.04431	0.9
149.02333	1.1
153.01819	1.3
159.04480	0.6
161.02304	1.3
163.03902	2.7
165.01801	9.6
166.29095	0.5
167.03365	4.3
177.01820	1.0
179.03363	1.0
183.02853	5.3
191.03406	0.7
195.02872	3.2
203.03381	0.7
205.04964	0.8
240.40120	0.6
243.02792	1.0
245.04338	1.1
255.06479	1.0
259.04086	0.6
272.06668	0.6
283.05939	11.6
286.04663	3.8
287.05469	7.4
295.05933	0.8
297.07492	8.2
299.05435	100.0
300.06161	10.7
301.07010	1.2
311.05484	13.1
311.09219	3.5
313.03589	0.6
313.06961	3.9
321.07578	3.7
323.05380	1.3
324.06311	2.9
325.03406	2.7
325.06949	24.4
327.05026	1.0
327.17728	2.7
329.06494	66.9
329.64688	0.7
330.06976	1.1
337.07108	2.8
339.04688	1.4
339.08566	19.3
339.12677	0.8
341.06543	1.0
349.07016	3.8
353.06500	25.2
365.06503	12.2
367.08163	2.8
377.06509	9.0
383.07669	2.2
395.07501	14.5
413.08679	5.3
431.09781	0.7
460.16379	0.8
461.10764	12.7
491.11743	17.0
515.11633	10.0
527.12146	0.7
544.60303	0.8
545.12744	14.6
557.12836	6.6
575.13782	15.1
593.14880	19.6
611.15637	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	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
50.65049	0.1
52.36077	0.2
53.03941	0.2
55.01859	0.2
56.53894	0.2
57.03431	2.9
59.04963	0.2
61.02905	0.8
68.99791	0.3
69.03436	1.3
71.04977	11.2
73.02897	0.4
75.04437	0.4
80.97317	0.2
81.03392	0.8
83.04964	0.7
85.02891	14.6
87.04443	0.2
89.10949	0.2
93.03388	0.3
95.04955	0.4
97.02848	1.4
109.02863	0.7
111.00774	1.1
121.02829	0.8
127.03899	0.4
129.05447	1.8
135.04393	0.2
137.02336	3.9
145.04955	0.4
147.06467	0.3
149.02321	0.2
153.01813	3.6
155.69496	0.2
161.06021	0.2
163.03876	0.8
165.01811	2.5
183.02863	1.0
183.04343	0.2
195.02682	0.2
201.05438	1.8
213.05490	0.2
225.46429	0.2
229.04915	5.3
229.07216	0.2
236.06848	0.2
239.03496	0.2
247.05951	0.9
257.04401	3.5
274.04623	1.0
274.37390	0.2
285.03870	1.7
286.04626	0.3
294.18344	0.2
301.07034	0.3
302.07385	0.4
303.04932	100.0
304.05197	1.3
331.98462	0.2
465.10245	0.4
626.50763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Isorhamnetin 3-L-arabinopyranosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03941	0.4
55.01858	0.6
56.43395	0.3
61.02901	0.5
62.84561	0.4
63.53919	0.3
69.03403	0.8
70.06553	0.5
70.41621	0.4
81.03387	1.1
85.02881	3.4
91.05444	2.5
97.02857	0.9
103.03854	0.5
109.02856	1.9
119.04884	0.5
121.02848	0.8
123.04401	0.7
135.04390	3.0
137.02330	6.4
141.01784	1.1
149.02357	0.9
161.02310	2.5
163.03839	1.9
164.46753	0.5
165.01793	10.7
165.09967	0.4
167.03354	4.2
175.03859	0.5
177.01723	0.7
179.03386	0.9
181.04921	1.1
183.02852	6.1
187.03879	0.8
191.03392	0.9
195.02827	3.4
197.00789	0.5
203.03426	0.5
205.04944	0.9
209.04300	0.5
215.03323	0.7
222.33302	0.6
233.04468	0.6
243.02789	0.7
245.04276	0.6
255.06470	1.7
261.03754	0.7
272.06821	0.7
283.05939	11.1
286.04678	3.3
287.05463	7.4
295.06009	1.0
297.07510	8.7
299.05438	100.0
300.06171	10.3
307.06149	0.5
311.05423	13.6
311.09042	2.8
313.03387	0.6
313.07098	2.6
313.63004	0.5
321.07602	2.5
323.05399	2.5
324.06119	1.8
325.03442	1.6
325.06955	23.8
327.04861	0.6
327.17960	0.6
329.06491	69.1
330.06998	0.9
337.06976	3.8
339.05118	1.0
339.08585	19.7
341.06403	2.0
349.07092	4.3
349.10760	0.5
351.04599	0.8
353.06473	24.9
365.02109	0.6
365.06564	13.1
367.08145	2.6
377.06488	9.5
383.07452	1.6
395.07516	14.0
413.08612	3.8
425.14188	0.6
431.09384	0.6
442.25726	0.5
461.04541	0.6
461.10770	12.4
491.05136	0.9
491.11780	16.4
515.04285	0.8
515.11761	14.6
539.11871	0.5
545.12744	16.6
557.12860	8.0
575.13843	15.9
575.22650	0.5
587.13983	0.5
593.14819	19.4
611.15955	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	611.1393
Annotation	Prodelphinidin B2
Peak:m/z	Relative Intensity
54.81792	0.5
55.01858	2.2
64.86256	0.4
64.94536	0.4
65.03928	0.7
67.01837	0.5
67.05502	0.5
68.99775	7.9
69.03413	0.5
74.20864	0.5
76.56511	0.5
79.08841	0.5
81.03405	4.2
83.04939	0.4
85.02879	0.7
92.16463	0.4
95.04945	2.3
97.02905	0.7
99.04426	1.9
105.03317	0.5
107.04944	1.0
109.02869	4.4
111.00794	7.9
111.04435	2.7
119.04918	2.9
121.02865	1.9
121.26687	0.5
123.04419	13.6
127.03895	100.0
131.04901	0.5
133.02870	2.2
135.04395	3.0
139.03880	83.0
147.04373	11.9
149.02304	1.9
151.03883	33.7
153.01756	0.6
153.05420	0.6
155.03412	0.6
157.06406	1.0
159.04384	2.6
161.05956	1.9
163.03867	7.7
165.01871	0.6
165.05446	2.7
167.03377	5.5
169.04936	0.8
170.12817	0.4
171.04378	1.1
173.05927	1.0
175.03877	20.0
177.05478	5.9
179.03363	33.9
181.04926	2.6
185.05991	2.6
189.05464	3.1
191.03362	9.5
193.04889	4.9
195.06306	0.5
197.05931	1.9
199.03873	2.7
201.05426	4.5
203.03383	23.2
204.95889	0.5
205.04924	2.5
207.86411	0.6
213.05450	7.0
215.03319	0.8
217.04852	4.5
219.06503	0.9
223.06027	0.5
227.03308	0.8
229.04944	4.1
230.05695	0.6
231.06474	2.3
233.04367	4.6
241.02562	0.6
241.04922	2.6
245.04419	10.0
249.51724	0.5
251.05516	0.9
253.04950	0.6
257.04379	10.6
259.05984	3.4
263.05417	10.4
269.04459	3.0
271.05954	3.3
275.05438	7.5
287.05447	26.7
289.06979	0.7
294.97519	0.5
299.05463	13.0
305.06479	5.6
307.08038	5.0
317.06482	8.1
407.07333	0.9
425.08600	9.6
443.09540	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	610.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01858	1.3
55.05499	2.5
57.03426	0.8
61.02908	1.0
64.48293	0.6
67.05494	5.0
69.03416	5.2
69.07055	7.4
71.04981	3.9
79.05050	0.9
79.05472	13.2
81.03400	2.4
81.07034	6.8
83.04966	18.2
85.02895	10.0
85.06518	0.8
87.05238	0.5
87.82456	0.6
91.05451	8.5
93.07021	13.0
95.04955	6.3
95.08073	0.6
95.08575	5.2
97.02870	4.2
97.06505	16.9
99.04433	3.1
105.07013	24.2
107.04953	11.6
107.08576	16.1
109.02897	0.7
109.06499	5.8
111.08055	0.6
117.06989	6.2
119.04942	1.2
119.06053	0.6
119.08547	6.1
121.02793	0.7
121.06482	17.0
121.10100	1.3
123.08081	1.4
125.05970	24.3
127.03859	1.1
127.07436	0.6
129.07011	1.0
130.07768	2.3
131.08534	6.0
133.06462	4.6
133.10118	2.6
135.08032	3.2
135.11661	3.6
137.05939	3.0
139.07510	3.0
143.07016	14.4
143.08553	2.5
144.09323	1.4
145.06500	4.1
145.10104	43.9
147.08020	1.3
147.11681	4.3
149.06020	0.8
151.07516	5.1
153.01952	0.7
154.07773	1.0
155.08571	1.1
158.07269	2.1
159.08041	3.5
159.11656	13.5
163.11153	100.0
169.10083	3.6
171.11615	0.7
172.08824	1.1
173.09589	28.6
177.12747	2.8
179.08513	0.7
182.07275	0.7
187.11136	23.0
189.12782	1.2
191.10643	16.4
197.09595	3.8
197.13564	0.7
205.12225	14.3
209.11754	2.6
215.10628	17.8
233.11685	43.2
251.12727	16.8
258.05051	0.8
269.13776	16.6
285.03888	1.2
286.04556	7.6
287.04980	7.0
301.07016	18.2
302.07370	17.2
303.04922	12.4
311.86368	0.6
447.38510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	4.2
55.05496	3.0
57.03407	0.8
67.05501	7.0
69.03410	9.4
69.07061	14.8
71.01348	0.7
71.04968	4.1
73.06521	0.7
76.56430	0.6
79.05473	14.0
81.03394	4.7
81.07044	14.4
83.04967	28.8
83.08616	0.7
85.02898	9.6
85.06527	4.5
91.05466	12.4
93.07024	23.5
94.66528	0.6
95.04939	12.9
95.08573	6.6
97.02877	4.3
97.06515	32.2
99.04436	7.2
105.07015	36.4
107.04951	12.5
107.08575	21.0
109.06505	18.8
111.04389	0.9
111.08054	4.4
113.06006	0.9
115.05424	1.0
117.06974	9.3
119.04929	10.5
119.08558	10.2
121.06483	29.2
121.07311	1.5
121.10160	3.2
123.08058	0.7
125.05973	41.4
127.03926	0.7
127.07512	7.7
129.06987	1.4
130.07780	1.2
131.08563	13.7
133.06523	6.9
133.10098	5.0
135.08044	2.9
135.11632	3.8
137.05957	6.7
139.07524	9.3
141.06955	0.7
143.07021	23.6
143.08553	3.8
144.09299	3.2
145.06445	7.6
145.10110	73.6
147.08040	3.1
147.11661	5.4
149.05890	1.1
151.07491	5.5
154.07837	2.2
155.08479	1.6
156.09343	0.8
157.08543	6.0
158.07227	5.0
159.08060	6.1
159.11665	29.0
161.09558	1.6
161.13216	3.0
163.07475	1.5
163.11150	100.0
169.10123	9.1
171.08112	0.9
171.11719	0.9
172.08791	3.3
173.09590	42.1
175.07603	0.9
177.12674	7.9
179.08537	1.7
182.07278	1.0
187.11157	42.8
189.12732	1.7
191.10641	17.4
191.12184	1.2
197.09596	8.7
205.12213	36.8
209.11710	4.6
215.09087	0.7
215.10628	40.3
223.13324	6.0
233.11682	53.6
251.12732	37.5
269.13785	51.2
303.05170	1.2
313.25848	0.7
414.83331	0.8
422.98618	0.8
489.55759	0.8
620.21466	1.0
623.79572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.24516	0.4
55.01868	1.2
55.05497	2.5
57.03428	1.1
59.46288	0.4
61.02918	0.9
65.03934	0.6
67.05486	4.3
67.58179	0.5
69.03406	4.4
69.07054	9.2
71.04976	6.7
79.05470	13.0
81.03415	1.2
81.07033	7.1
83.04968	13.1
85.02889	10.6
85.06590	0.8
91.05451	7.1
93.07030	14.2
95.04939	6.5
95.08605	5.0
97.02864	4.0
97.06510	15.9
99.04411	3.8
101.05987	0.6
101.20000	0.5
103.47919	0.5
105.07013	21.7
105.74713	0.5
107.04935	13.3
107.08567	15.7
109.06508	5.8
111.08012	0.6
112.60715	0.5
117.06983	5.2
119.04931	2.5
119.08583	5.0
121.02838	0.5
121.06486	17.3
121.10116	2.1
123.08045	1.0
125.05978	23.9
127.03899	1.3
129.07007	0.9
130.07751	1.2
131.08528	5.8
133.06471	5.0
133.10123	1.2
135.04483	0.6
135.08029	2.8
135.11676	5.4
137.02293	0.7
137.05975	2.7
139.07506	2.7
141.06970	0.8
142.68616	0.6
143.07018	12.5
143.08537	2.8
144.09361	0.9
145.04959	0.8
145.06461	3.9
145.10106	44.5
147.08043	2.2
147.11650	5.3
148.08795	1.1
149.05942	1.0
149.09590	0.8
151.07513	4.8
153.01846	0.6
154.07729	1.2
155.08574	1.3
157.10179	0.7
158.07275	3.1
159.08051	2.8
159.11670	12.0
161.09598	0.6
161.13287	0.8
163.11151	100.0
169.10103	3.4
171.11635	0.8
172.08813	0.7
173.09593	27.4
177.12767	3.8
179.08540	1.0
181.12198	1.0
187.11150	17.7
189.12720	1.2
191.10640	16.4
197.09550	3.9
205.12202	14.8
209.11682	2.7
215.10637	16.5
220.70561	0.6
227.84332	0.7
229.04909	0.9
233.11691	39.8
251.12733	16.1
258.05194	1.0
259.05405	0.9
269.13797	18.6
269.16501	1.1
285.03873	3.1
286.04587	14.7
287.04990	11.1
301.07013	31.7
302.07370	31.8
303.04904	14.7
342.42813	0.6
410.06534	0.5
464.12454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51851	0.4
53.03929	1.2
55.01855	2.9
55.05499	3.4
57.03419	1.1
57.62827	0.5
61.02900	2.8
62.82159	0.5
67.05489	7.1
68.26083	0.5
69.03414	10.3
69.06699	0.8
69.07050	9.8
70.12539	0.5
71.04977	6.0
73.02885	0.9
79.05051	0.9
79.05476	16.8
81.03397	4.7
81.07037	10.7
83.01347	0.6
83.04959	22.9
85.02889	20.4
85.03384	0.5
85.06525	2.2
91.03909	0.7
91.05453	9.4
93.07024	21.5
95.04946	8.7
95.08580	7.2
97.02862	9.2
97.06506	22.7
99.04444	7.0
101.05992	0.7
105.07011	35.4
106.87293	0.5
107.04945	12.9
107.08573	18.4
109.02851	2.9
109.06515	9.4
109.10130	1.4
111.08053	0.8
117.06984	7.9
119.04915	3.6
119.08561	10.2
121.06487	21.2
121.10108	3.8
123.08038	0.6
125.05963	31.7
126.88969	0.6
127.03876	3.6
128.06209	0.7
129.07002	3.4
130.07768	1.1
131.08545	11.5
133.06473	6.7
133.10106	4.9
135.04382	0.9
135.08026	3.8
135.11647	5.1
137.05997	4.0
139.07512	4.1
141.06982	1.2
142.07719	0.6
143.07010	20.5
143.08539	3.6
144.09346	2.3
145.04944	1.3
145.06480	5.2
145.10098	63.8
147.08034	2.9
147.11659	5.6
149.05984	1.3
151.07478	5.4
154.07660	2.2
155.08504	2.1
156.09335	0.9
157.08646	0.7
157.10045	2.4
158.07242	3.8
159.08026	5.7
159.11668	18.8
161.09583	1.4
161.13194	0.9
163.07460	2.7
163.11148	100.0
164.11543	0.9
169.10071	6.6
171.08078	0.8
171.11687	2.1
172.08798	1.4
173.09581	35.9
177.12685	4.8
179.08502	1.1
182.07300	0.8
187.11130	31.1
187.14726	0.7
189.12741	2.3
191.10637	16.9
197.09598	4.2
205.12209	21.3
209.11688	3.4
215.10623	24.2
223.13206	0.9
233.11679	43.5
233.15277	1.5
239.62689	0.7
251.10287	1.2
251.12727	23.0
269.13751	24.7
278.30814	0.6
303.04935	11.9
377.15665	0.8
394.14618	0.6
395.16840	1.3
413.17993	6.0
575.23199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.181
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03384	0.8
57.03626	0.1
57.76657	0.1
69.03368	0.2
71.04972	3.2
82.59772	0.1
85.02885	4.4
87.04457	0.2
89.44026	0.2
105.74603	0.2
121.02799	0.9
129.05421	0.2
184.05127	0.3
188.04608	0.3
212.04625	0.3
213.05537	0.3
229.04811	0.2
240.03859	0.2
241.04945	0.2
257.04373	0.2
258.05185	3.8
269.04330	0.2
285.03879	8.6
286.04645	33.2
287.04999	0.2
301.07001	100.0
302.07452	1.2
393.96289	0.1
463.12216	2.1
623.76477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	4.2
55.05496	3.0
57.03407	0.8
67.05501	7.0
69.03410	9.4
69.07061	14.8
71.01348	0.7
71.04968	4.1
73.06521	0.7
76.56430	0.6
79.05473	14.0
81.03394	4.7
81.07044	14.4
83.04967	28.8
83.08616	0.7
85.02898	9.6
85.06527	4.5
91.05466	12.4
93.07024	23.5
94.66528	0.6
95.04939	12.9
95.08573	6.6
97.02877	4.3
97.06515	32.2
99.04436	7.2
105.07015	36.4
107.04951	12.5
107.08575	21.0
109.06505	18.8
111.04389	0.9
111.08054	4.4
113.06006	0.9
115.05424	1.0
117.06974	9.3
119.04929	10.5
119.08558	10.2
121.06483	29.2
121.07311	1.5
121.10160	3.2
123.08058	0.7
125.05973	41.4
127.03926	0.7
127.07512	7.7
129.06987	1.4
130.07780	1.2
131.08563	13.7
133.06523	6.9
133.10098	5.0
135.08044	2.9
135.11632	3.8
137.05957	6.7
139.07524	9.3
141.06955	0.7
143.07021	23.6
143.08553	3.8
144.09299	3.2
145.06445	7.6
145.10110	73.6
147.08040	3.1
147.11661	5.4
149.05890	1.1
151.07491	5.5
154.07837	2.2
155.08479	1.6
156.09343	0.8
157.08543	6.0
158.07227	5.0
159.08060	6.1
159.11665	29.0
161.09558	1.6
161.13216	3.0
163.07475	1.5
163.11150	100.0
169.10123	9.1
171.08112	0.9
171.11719	0.9
172.08791	3.3
173.09590	42.1
175.07603	0.9
177.12674	7.9
179.08537	1.7
182.07278	1.0
187.11157	42.8
189.12732	1.7
191.10641	17.4
191.12184	1.2
197.09596	8.7
205.12213	36.8
209.11710	4.6
215.09087	0.7
215.10628	40.3
223.13324	6.0
233.11682	53.6
251.12732	37.5
269.13785	51.2
303.05170	1.2
313.25848	0.7
414.83331	0.8
422.98618	0.8
489.55759	0.8
620.21466	1.0
623.79572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
55.68450	0.3
56.26779	0.3
56.96560	26.8
60.21470	0.3
67.05496	0.7
67.93051	0.3
69.07041	0.4
71.95255	0.4
74.97614	0.4
79.05469	0.7
81.07025	2.0
84.96037	0.4
91.05471	1.4
92.08647	0.3
93.07019	1.5
95.04987	0.4
95.08580	1.3
98.28449	0.3
98.97567	61.5
105.07023	1.9
107.08569	1.5
109.10146	0.4
116.98605	58.7
117.07023	0.4
117.69991	0.3
119.08560	1.4
121.06490	0.5
121.10118	0.4
131.08595	0.5
133.10095	0.4
134.99643	29.7
135.11690	0.4
140.00163	1.2
143.00090	0.3
145.10141	2.3
153.00739	4.3
158.01213	0.4
159.11691	1.8
163.11153	0.4
185.01212	1.4
189.04227	0.4
191.17966	0.4
201.16348	2.1
203.02272	0.4
219.17468	0.5
223.06404	0.4
225.07990	0.7
233.04764	0.4
235.06331	0.4
239.05925	0.3
239.09476	0.4
241.07352	0.3
249.11568	4.5
250.05125	1.3
251.05862	2.8
263.13205	1.6
265.11105	2.0
267.12665	9.9
269.06979	1.1
275.12875	2.3
277.10858	0.4
279.12579	6.8
279.23102	0.4
281.10892	0.7
281.14172	6.3
283.09006	0.3
283.12250	1.2
284.30484	0.4
285.13669	3.6
291.12497	0.4
293.10605	2.2
293.14117	15.7
295.12079	0.7
297.13702	7.7
299.11981	0.8
299.15259	8.0
305.14145	0.6
309.13867	0.7
311.11874	1.2
311.15210	19.8
313.13107	3.2
317.14081	2.6
323.15262	14.0
323.18149	0.4
329.16364	1.4
331.14236	0.5
335.15237	24.2
341.16275	13.8
346.16754	0.6
353.16302	100.0
354.16675	1.5
371.17358	37.1
376.17380	0.4
394.18921	2.0
469.30078	0.4
481.29971	1.3
487.30624	1.6
499.30771	1.6
511.31198	1.2
517.32013	0.6
529.31805	1.2
547.32996	10.7
607.34631	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.00283	1.9
53.03926	4.5
53.80261	1.9
54.82250	2.2
54.88330	1.7
55.05510	14.8
57.07066	4.8
59.04959	2.9
65.03950	1.8
66.97986	1.9
67.05489	29.8
69.03416	3.9
69.07047	16.6
71.04969	3.4
75.53391	2.2
77.03857	2.2
79.05473	47.3
81.07035	55.4
83.04959	9.3
83.08600	14.2
85.06524	3.8
91.05457	47.0
93.07020	100.0
95.04957	15.3
95.08572	26.3
97.06510	5.0
105.04489	2.3
105.07008	38.4
107.08575	62.7
109.06499	8.2
109.10142	18.3
111.08024	2.4
117.06983	4.5
119.08559	32.0
121.06483	10.5
121.10105	23.8
123.08050	2.7
123.11674	12.8
125.91113	2.1
128.06235	2.4
129.06975	2.5
131.08557	8.4
133.10114	24.6
135.08034	2.7
135.11671	56.0
137.09554	2.7
139.11137	3.0
143.08513	4.0
145.10071	9.5
147.11655	7.7
149.13213	9.1
151.11168	3.6
154.14403	2.4
159.11655	5.2
161.13226	3.1
165.09119	3.0
169.12268	2.2
173.13228	3.4
175.14815	21.3
177.12761	2.4
189.16461	2.7
199.14879	3.3
201.16325	3.2
217.15904	3.3
219.17413	3.4
235.16878	25.0
253.17958	11.4
287.23709	2.8
440.73917	2.3
482.40311	2.2
631.16180	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23869	0.3
50.62225	0.3
55.05498	0.7
56.96280	0.5
56.96555	12.4
57.74371	0.2
67.05487	1.4
69.07053	1.1
74.97601	0.4
79.05487	1.3
81.07033	4.1
83.08589	0.4
84.96025	0.4
91.05451	0.5
93.07020	3.6
95.04936	0.4
95.08546	2.0
97.06515	0.4
98.97558	30.2
105.07001	2.0
107.08573	2.4
109.06524	0.4
109.10156	2.0
111.98349	0.5
112.99138	2.3
115.00692	0.7
116.98600	27.4
118.13124	0.3
119.08561	1.8
121.10139	1.7
124.99109	3.9
127.00664	0.4
129.99373	3.2
131.00137	4.5
131.08545	1.3
133.01682	0.5
133.10114	1.2
134.98605	0.5
134.99640	13.9
135.11623	0.7
137.09566	0.4
140.00194	0.5
141.02197	2.9
143.00145	18.2
143.97281	0.3
145.01717	0.6
145.10114	1.8
147.11671	2.2
148.00407	5.8
149.01216	1.9
153.00691	1.9
158.01268	0.4
159.03275	7.3
159.11690	1.4
161.01195	22.5
161.98291	0.4
163.11153	1.1
166.01488	1.5
167.03738	2.8
171.03279	1.4
173.04836	0.3
177.04308	1.3
179.02229	4.3
183.03352	0.5
185.01260	1.1
185.04837	7.9
187.06468	0.4
189.04373	0.5
190.01526	0.7
193.05386	1.9
199.06714	0.4
201.04291	0.5
201.16344	0.3
203.02306	1.3
203.05910	1.6
209.08391	0.4
211.06392	26.3
219.17459	0.4
227.09566	1.4
229.07446	30.0
234.08034	0.3
247.08485	3.3
252.08934	0.4
253.07416	33.8
254.08185	0.4
263.13693	0.3
267.08911	1.3
271.08481	39.0
275.13013	1.1
285.10150	0.4
289.09497	0.5
293.14148	2.0
294.10132	0.6
299.13324	0.3
317.14160	16.5
321.13425	0.3
335.15225	27.0
346.63641	0.3
353.16284	100.0
354.16556	0.5
371.17352	2.5
394.19107	0.4
457.28979	0.3
512.31232	0.3
547.32886	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35383	0.6
54.98615	0.7
55.05500	0.7
56.96553	58.8
60.11706	0.6
63.27584	0.6
67.05489	3.4
68.89645	0.6
69.07045	4.2
71.95226	3.3
74.97615	0.9
79.05467	3.6
81.07033	7.5
81.64527	0.7
83.08595	1.4
84.96014	28.0
91.05439	4.1
93.07022	13.2
95.04935	1.6
95.08591	6.7
97.10107	0.9
98.62989	0.7
98.97561	94.8
102.97057	4.4
103.00659	0.8
105.07018	8.8
107.08571	12.3
109.10149	5.1
112.99132	0.8
115.00697	2.8
116.98597	100.0
119.08541	6.5
121.10098	5.5
123.08049	0.7
123.11713	0.9
131.04865	0.7
131.08546	4.1
133.01701	1.7
133.10066	3.3
134.99635	68.6
135.11652	9.3
135.51520	0.7
139.00668	0.8
140.00151	1.2
143.00145	1.6
145.10081	6.6
147.11635	1.2
149.01193	1.6
149.13297	0.9
153.00705	12.8
158.01224	1.2
159.11674	3.3
161.01234	0.8
162.99086	1.3
175.14735	3.0
177.16417	0.8
181.00136	1.5
181.01685	0.7
183.03239	1.5
191.03656	0.8
191.17917	6.4
196.61226	0.7
199.02605	1.0
201.04274	0.9
201.16388	1.2
203.03761	0.8
205.05347	3.8
207.03365	1.1
207.06943	0.8
209.04909	0.9
209.08397	1.2
213.04163	0.8
216.56917	0.7
219.03264	1.0
219.06956	2.6
219.17409	0.8
221.04773	0.8
221.08517	1.3
223.06413	6.2
224.03528	1.2
225.04274	0.8
225.08028	6.1
227.05887	1.1
231.06949	0.8
233.04797	3.3
233.08527	2.6
233.12134	0.9
235.06413	1.5
235.09869	0.9
237.04385	1.6
237.07927	1.7
239.05844	4.4
239.09435	1.6
241.07433	4.6
243.08806	5.1
245.08415	0.9
247.10042	8.0
249.07915	1.7
249.11528	7.9
251.05733	2.8
251.09456	5.5
251.13130	4.1
253.07323	1.3
253.11101	2.7
255.08829	1.1
255.12677	0.8
257.06973	3.5
263.09525	2.8
265.07431	1.3
265.11069	11.3
265.14365	0.9
266.58224	0.8
267.09467	1.1
267.12622	31.1
269.07352	0.7
269.10617	2.6
269.14157	4.4
275.13107	11.4
277.07492	1.1
277.11108	1.3
279.08911	1.1
279.12509	0.9
281.10626	0.8
281.14157	1.4
283.08801	1.0
283.12106	10.9
285.13666	21.8
289.10898	0.8
289.14606	1.2
291.12540	4.6
293.10931	1.1
293.14157	35.0
295.12122	1.4
299.11371	0.9
301.13150	3.4
307.15848	5.3
309.13660	14.8
311.15195	28.6
312.15662	0.8
313.13144	1.0
315.86523	0.7
316.15826	0.9
317.14157	8.2
321.13626	3.0
327.14743	9.0
329.16220	2.8
335.11435	1.4
335.15219	31.7
337.16895	0.9
339.14780	1.0
346.67072	0.8
353.16281	24.9
371.17264	3.8
376.17706	0.8
467.28610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.96559	10.6
66.31091	0.3
67.05481	0.9
69.07066	0.6
69.24937	0.3
79.05464	1.5
81.07033	4.8
83.04995	0.4
83.08590	0.5
84.96018	0.8
91.05466	1.6
93.07029	3.4
95.04944	0.5
95.08585	1.5
98.97565	36.8
105.06999	2.4
107.08585	2.1
109.10139	2.1
111.08057	0.5
111.20547	0.4
112.99092	0.8
115.00701	0.7
116.98603	35.0
117.07006	0.5
119.08582	2.3
121.10103	1.6
124.99068	5.1
129.99384	3.5
131.00122	2.6
131.08525	1.6
133.01718	0.7
133.10089	0.8
134.99646	17.0
135.11638	0.5
137.09587	0.8
139.91974	0.3
140.00168	0.4
143.00156	26.0
145.10129	0.8
147.11713	0.5
148.00424	5.2
149.01195	0.9
151.11090	0.4
153.00761	3.0
153.02057	0.3
159.03278	2.6
159.11630	0.7
161.01196	31.4
166.01543	0.7
167.03781	2.1
171.03270	0.7
177.04390	0.7
179.02245	5.8
183.03316	0.6
183.06824	0.4
185.04839	6.2
189.00688	0.4
190.01378	0.5
192.66263	0.4
193.05353	1.4
201.04276	0.5
203.02261	1.6
203.05888	0.8
211.06403	20.3
227.05804	0.4
229.05135	0.9
229.07437	26.3
239.05951	0.4
247.08430	5.0
249.08014	0.6
253.07434	25.4
255.10782	0.7
255.13416	0.4
265.11261	0.4
267.08926	2.4
271.08478	38.4
275.13174	0.8
279.12738	0.9
281.14087	0.6
285.09836	0.6
289.09543	0.9
293.11057	0.4
293.13846	2.6
294.10190	1.4
297.13345	0.6
299.15298	2.0
309.13745	0.5
311.12012	0.5
311.15158	4.1
313.13098	0.7
317.14194	15.0
329.16364	1.8
335.15234	31.0
337.18744	1.4
353.16299	100.0
354.16766	1.5
371.17365	9.2
394.19232	0.6
396.60086	0.4
415.24951	0.4
529.31952	0.7
547.32947	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	607.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41823	0.7
55.05500	1.2
56.96321	0.8
56.96558	14.3
58.48289	0.7
62.64586	0.7
63.88404	0.6
64.32877	0.8
67.05485	1.6
69.07037	2.9
79.05460	4.3
81.07047	8.1
83.08572	1.1
83.94471	0.7
84.96035	0.8
91.05447	2.9
93.07034	8.8
95.04891	1.0
95.08578	4.2
97.06512	0.8
98.97557	33.6
99.64769	0.9
105.07021	3.7
107.08563	3.6
109.06506	1.0
109.10128	1.8
111.08073	0.9
112.99108	1.0
116.98600	35.1
117.06974	1.0
119.08527	1.9
124.99103	4.0
129.99399	1.2
131.00037	1.8
131.08521	1.4
131.77902	0.8
134.99638	19.4
135.11728	1.2
137.09666	1.1
141.02209	0.9
143.00139	28.6
143.15605	0.8
145.10130	2.9
147.11630	1.7
148.00392	7.6
149.01198	1.2
153.00694	1.7
159.03264	4.0
159.11656	0.8
161.01173	37.7
163.11093	1.0
166.01514	1.4
167.03761	3.0
171.03275	1.6
179.02280	7.5
185.04776	7.7
193.05327	1.5
203.02275	1.6
203.05797	1.0
211.06384	17.9
227.09435	0.8
229.07434	27.4
230.07703	1.3
236.76601	0.8
245.10530	1.0
247.08534	6.6
252.09094	1.0
253.07408	23.3
267.09235	0.9
271.08463	47.6
272.09149	0.9
289.09427	1.0
293.14273	0.8
294.09879	1.7
311.15121	1.2
317.14066	10.4
335.15213	30.2
353.16290	100.0
354.16559	1.4
371.17410	6.1
547.32825	5.7
607.31018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33656	0.4
55.05503	1.1
56.96555	31.3
56.96837	1.1
64.58406	0.5
67.05489	2.4
69.03414	0.7
69.07055	0.8
71.04969	1.2
71.95243	0.6
74.97602	0.8
79.05461	3.4
80.15736	0.6
81.07037	6.0
85.02914	0.7
91.05465	4.6
93.07033	6.0
95.04958	0.7
95.08578	3.0
98.97559	22.4
101.39571	0.5
105.07030	4.3
107.08585	5.7
109.10145	2.1
111.63474	0.5
115.00687	2.2
116.97826	1.2
116.98599	25.1
117.06986	0.8
119.01827	0.7
119.08549	2.5
121.10140	2.3
127.00684	1.0
130.07797	0.8
131.08528	1.1
133.01730	2.4
133.10112	3.5
134.99625	14.7
137.02766	2.2
137.05991	0.7
137.09581	0.6
141.02216	11.5
143.00163	0.8
143.03758	0.7
145.01691	1.2
145.10088	3.2
147.03290	3.4
147.11765	0.5
151.02730	0.6
153.00716	1.2
153.02136	1.1
155.03777	2.3
159.03268	35.1
159.11644	0.6
161.04829	3.5
167.03847	0.7
169.01715	0.7
169.05457	1.1
171.03244	6.5
173.04884	3.8
177.04308	12.3
179.06029	0.6
183.03238	1.3
185.04848	1.3
187.02737	2.6
187.06345	1.0
189.04370	2.2
189.08043	0.6
191.05875	0.8
195.06792	0.7
197.04689	1.1
199.06352	1.9
201.04332	0.9
201.07967	0.8
203.05930	0.6
205.03839	0.7
205.08945	0.6
207.07011	0.6
207.08913	0.7
209.08514	1.0
211.06371	12.5
213.04317	0.7
213.07880	0.8
221.08485	3.0
223.10036	13.4
225.07977	2.2
227.09471	2.7
229.07426	10.8
239.09438	3.2
239.88792	0.6
241.11066	25.8
259.12137	3.4
265.11176	3.7
275.13123	3.0
283.12070	3.2
291.12653	0.8
293.14114	7.1
311.15137	4.1
317.14117	7.6
335.15179	14.8
337.18500	0.8
337.25708	0.8
353.16272	100.0
354.16583	2.5
371.17398	1.2
441.58264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.9
56.69749	0.4
56.96281	1.0
56.96555	24.0
65.39854	0.3
67.05492	1.9
67.08299	0.4
67.73025	0.4
69.07053	2.6
71.04977	2.7
71.95229	0.6
74.97594	0.7
79.05475	1.0
81.07039	3.7
85.06526	3.9
87.54603	0.4
91.05456	1.8
93.07021	5.8
95.04951	0.5
95.08584	2.2
98.97562	48.0
105.07001	3.7
107.08575	5.1
109.10133	0.9
115.00694	1.7
116.98601	48.2
117.07000	0.9
119.08563	1.1
121.10113	2.4
127.00707	1.0
131.08546	2.1
133.01718	2.5
133.10165	0.7
134.99640	32.0
137.02751	2.8
140.00191	1.1
141.02209	7.9
143.00160	4.4
145.01709	3.7
145.10147	3.4
153.00647	5.4
155.03793	4.1
157.01747	0.8
158.01178	0.6
159.01976	1.0
159.03271	27.5
159.11671	1.0
161.01170	6.4
163.02739	1.8
169.01640	3.3
171.03200	0.6
173.04723	0.6
175.02733	0.7
177.04327	7.5
177.09106	0.7
179.02199	0.6
182.04788	0.8
183.03270	2.2
187.02759	24.3
197.13266	0.6
201.04330	9.8
205.03799	6.2
209.08441	6.2
211.06390	6.6
219.05360	0.7
223.10071	2.3
227.09554	6.4
229.07452	11.2
241.11047	1.0
247.08372	0.9
253.07458	4.1
265.11087	2.0
271.08484	2.5
275.13062	1.6
277.21490	0.6
283.12061	0.6
293.14172	4.8
299.13046	2.4
317.14163	7.2
335.15204	11.7
353.16287	100.0
354.16602	1.0
488.43134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
56.96554	12.1
67.05481	1.6
69.07053	0.9
71.95238	0.4
79.05466	1.9
81.07027	4.5
81.92543	0.4
83.08598	0.5
84.96031	0.4
91.67091	0.4
92.08742	0.7
93.07047	3.3
95.04981	0.6
95.08601	1.7
97.06477	0.6
98.97554	34.3
105.06998	1.9
107.08576	1.9
109.10139	2.4
111.98295	0.5
112.99108	2.6
116.98598	26.1
119.08553	2.2
121.10149	0.5
124.99116	5.8
129.99348	4.3
131.00153	3.8
131.08557	1.0
133.01692	0.6
133.10103	1.7
134.99634	15.5
135.11676	0.6
137.09601	0.7
141.02196	3.4
143.00139	14.5
145.01735	0.5
145.10089	2.2
147.11655	0.9
148.00435	4.5
149.01196	2.6
151.11234	0.6
153.00703	1.0
153.02235	0.5
153.60793	0.4
159.03250	6.8
159.11693	0.6
161.01189	21.5
161.98294	0.8
163.11118	0.7
167.03735	3.1
171.03259	2.2
177.04385	1.0
179.02292	4.1
183.03258	0.6
185.04822	7.9
191.10709	0.4
193.05338	2.9
199.06526	0.6
201.04236	0.5
201.16374	0.6
203.02130	0.7
203.05862	0.9
211.06395	26.5
227.09517	1.8
229.07440	31.0
239.05823	0.6
247.08452	4.0
253.07423	33.6
267.08981	0.7
271.08459	37.8
275.13129	0.7
293.14114	2.0
294.10001	0.6
294.35175	0.5
311.15308	0.5
317.14175	15.5
317.38324	0.5
335.15210	22.4
353.16278	100.0
354.16626	0.9
371.17337	2.5
447.24316	0.6
535.07007	0.6
547.32666	3.5
552.81885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49937	1.2
55.05497	1.5
56.96287	1.7
56.96560	44.6
65.66321	1.2
67.05492	5.6
69.07051	1.5
72.00012	1.2
79.05501	4.8
81.07049	12.6
83.04957	1.5
85.06497	1.8
91.05460	5.8
92.09293	3.1
93.07018	9.4
95.04945	5.6
95.08588	2.9
97.06502	2.2
98.97569	41.1
105.06989	6.1
107.04956	1.7
107.08602	5.2
109.10164	3.1
115.00657	2.0
116.98609	47.3
119.01925	1.4
119.08566	2.6
121.06460	1.4
121.10183	2.5
128.98631	1.4
131.00162	5.5
131.08545	2.3
133.01747	1.7
133.10129	3.2
134.99654	37.4
135.08131	2.2
135.11659	2.7
143.00105	1.4
145.01767	1.7
145.10107	5.2
149.01265	2.0
149.09637	1.6
151.11139	1.9
153.00668	4.9
157.01720	1.5
159.03317	1.5
173.01291	1.7
175.14795	1.9
177.09016	1.9
183.03235	2.1
195.05009	1.9
201.16367	5.2
203.05945	1.5
211.06425	2.0
213.07913	2.7
217.07428	1.4
223.10110	9.8
229.07524	2.4
239.09372	1.5
241.11084	15.0
243.09145	1.6
249.11555	5.3
253.07318	2.7
253.11064	2.1
257.10437	2.1
263.13144	1.8
265.11078	1.9
267.12646	8.2
271.12222	2.8
275.13208	5.7
281.14221	3.0
285.13818	2.8
293.14133	38.6
297.13748	2.9
299.15384	3.3
299.18491	1.4
309.13870	5.1
311.15295	30.6
313.13263	2.4
317.14249	2.3
329.16174	6.4
335.15164	23.0
337.18552	5.4
341.16272	2.1
353.16302	100.0
369.15649	1.8
371.17371	27.3
547.33014	8.9
598.44086	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.76833	0.3
63.04779	0.3
90.54367	0.3
92.09177	0.4
133.22534	0.4
227.23050	0.3
277.88275	0.4
386.00174	0.4
388.16821	0.6
389.17450	0.9
401.17828	0.7
402.18420	0.7
403.19131	4.3
404.19861	1.6
405.20721	1.6
415.19098	0.4
416.20212	0.7
417.15921	0.6
417.21188	4.4
418.21338	3.1
419.22296	4.9
429.16290	0.7
430.21808	0.6
431.17978	8.2
432.18811	0.8
432.23804	0.6
433.18793	0.4
433.23965	9.6
434.24588	1.7
444.19446	0.8
445.19525	9.2
446.20700	6.0
447.21829	4.0
459.21298	5.2
460.22385	13.1
461.23254	16.3
462.23804	0.6
473.23474	3.8
477.22879	0.5
487.24893	2.1
489.22992	0.7
491.24329	0.6
504.99149	0.4
505.22482	1.7
506.26862	0.5
518.22949	0.5
519.27118	2.0
519.34784	0.5
532.24823	0.5
547.26959	50.0
548.27252	2.1
575.26404	1.4
579.29297	0.5
607.29083	100.0
608.29144	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29449	0.1
53.00286	0.2
53.58046	0.1
55.01865	0.2
63.02218	0.1
65.03915	0.8
67.05482	0.9
68.99773	0.8
74.44981	0.2
76.65308	0.2
81.03432	0.2
81.51683	0.1
82.58125	0.1
83.04954	0.3
85.02904	0.2
93.03379	0.7
95.04964	1.2
97.02883	0.3
107.04932	1.3
111.04434	1.3
121.02820	0.8
121.06509	0.3
123.04419	1.2
126.98974	0.2
127.03897	0.4
131.04895	0.8
133.02840	2.1
135.04393	2.9
139.03882	100.0
140.04187	0.4
145.02849	0.4
148.52199	0.2
149.05949	0.9
151.03896	4.1
153.01811	0.2
153.05421	0.9
159.04388	2.6
163.03870	10.6
167.06990	0.3
169.04941	2.9
177.05434	3.4
181.04919	4.5
189.05304	0.2
195.06497	3.6
205.04936	0.8
223.06035	1.3
247.05885	0.3
289.07007	2.1
307.08035	10.8
308.08459	0.2
393.63718	0.2
509.03943	0.2
509.66055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.23884	0.3
61.18362	0.4
67.05491	1.4
71.51112	0.3
79.05473	1.4
81.07056	1.6
91.05483	1.4
93.07020	2.3
95.08632	0.5
105.07019	1.8
107.08604	1.7
109.10155	0.5
121.10126	0.6
133.10045	0.5
135.11684	0.8
139.16603	0.4
149.82646	0.4
157.10178	0.5
159.11526	0.4
194.22278	0.4
195.09175	0.3
209.10587	0.4
225.31285	0.4
229.63181	0.4
234.06348	0.4
373.14670	0.5
375.16052	0.6
386.16074	0.4
387.15997	0.5
388.16479	0.7
389.17664	3.4
390.18384	1.4
391.19107	0.8
402.18707	0.6
403.19641	4.2
404.19922	3.0
405.20776	4.4
407.22269	0.4
414.18317	0.5
415.19321	0.6
416.16177	1.8
417.16962	4.8
417.21060	3.5
418.17340	0.7
418.22052	0.6
419.22394	8.2
420.23090	0.7
427.20007	0.5
430.17773	1.5
431.18329	9.1
432.19168	3.8
433.20099	5.7
434.21030	0.4
445.20117	8.4
446.20914	10.3
447.21698	10.6
448.22845	0.6
459.22754	3.4
460.18768	1.8
461.19788	2.2
462.24362	0.5
463.21161	0.6
473.19638	2.3
474.20258	6.8
475.20908	6.6
477.23077	0.5
478.23532	0.7
487.21350	1.9
491.20718	2.8
501.22522	1.6
506.23227	0.5
511.57391	0.5
519.23944	20.4
520.23853	1.7
547.23309	16.5
548.23822	1.5
561.25415	0.7
579.25977	6.7
589.23981	0.5
607.25415	100.0
608.25311	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	607.2909
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.65181	0.4
62.71526	0.4
93.19180	0.4
100.98820	0.4
203.73615	0.4
207.09247	0.6
246.95103	0.4
277.11041	0.5
389.17459	0.8
402.18817	0.9
403.19196	3.7
405.20953	1.7
415.19272	0.6
416.20172	1.7
417.15948	0.7
417.21335	4.3
418.21313	2.0
419.22174	4.0
430.22098	0.8
431.18176	9.5
432.19223	1.7
433.24063	10.0
434.24579	1.9
445.19736	11.1
446.20667	6.4
447.21570	5.7
459.21295	5.7
460.22327	13.6
461.23178	14.7
473.23419	4.0
487.24951	2.0
491.24243	0.6
492.25339	0.6
505.22311	2.7
519.23523	0.9
519.28003	0.6
532.24384	0.5
547.26917	40.7
548.27271	1.9
564.26831	0.6
575.27136	1.6
578.25116	0.6
579.29456	0.8
607.29022	100.0
608.29095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01870	4.8
65.03923	2.5
67.05503	1.1
68.20000	1.2
69.03417	2.0
79.05473	5.2
85.02877	2.9
91.05466	28.1
92.08823	1.3
93.03391	2.3
93.07044	6.5
93.13277	1.2
95.04945	18.3
97.06513	1.6
103.05442	9.3
105.03380	1.2
105.07009	6.1
106.04168	15.4
107.04946	28.5
109.06509	5.6
111.52431	1.3
111.70067	1.2
115.05415	2.1
117.07011	2.3
118.04129	2.0
119.04939	11.3
121.06485	27.6
122.03628	1.8
123.04413	8.6
123.08036	1.8
125.05978	2.3
128.06180	2.6
129.06975	16.1
131.04893	16.8
131.08569	2.0
132.05679	5.3
133.02876	1.8
133.06522	5.9
134.03633	5.3
135.04422	6.1
135.08011	2.6
136.05090	1.2
137.05952	39.4
143.04904	2.6
145.06479	2.6
146.07268	2.5
147.04387	2.5
147.08083	1.9
148.05133	6.8
149.05968	36.7
151.03929	2.2
151.07529	39.6
153.05473	2.1
153.09113	5.2
157.06436	10.4
159.07971	1.8
161.05954	100.0
161.09592	24.3
162.06706	2.0
163.03899	5.0
163.07533	12.4
165.05621	1.7
165.06984	8.5
165.09065	1.7
167.07047	45.7
167.08508	7.0
174.06740	8.8
175.07520	31.0
177.05455	16.2
177.06966	4.1
177.09050	2.9
178.07831	2.7
179.07106	4.2
179.08585	2.0
180.07745	7.3
180.09186	2.0
181.06485	6.7
181.08524	12.0
182.07162	1.5
183.08040	1.9
186.06584	1.7
187.07542	7.2
189.09082	37.0
190.07813	2.0
191.06993	11.9
191.08566	10.0
192.07823	8.7
193.06458	7.1
193.08452	2.2
193.10129	2.6
194.07179	2.4
195.06432	2.2
195.08057	23.6
195.10138	6.1
196.05133	1.8
197.05966	2.9
197.09589	1.9
199.07458	1.4
202.07513	1.4
205.06564	3.0
207.08000	5.4
207.10089	28.1
208.08827	5.1
209.06047	3.9
209.07965	25.6
209.09653	3.8
210.06770	7.3
211.07524	11.5
212.08263	2.8
213.09009	2.6
218.07289	1.4
219.08025	22.6
219.10170	40.3
220.08842	1.8
221.05896	10.2
221.09515	2.8
222.06779	5.0
223.07504	17.9
223.11174	5.3
224.08261	5.0
225.09018	15.4
227.07057	10.0
227.10634	5.7
233.09627	2.3
234.06764	2.3
235.07492	8.9
236.04503	2.2
236.08357	7.1
237.09018	14.9
238.06183	3.0
239.06874	9.3
240.07762	8.6
241.08546	10.8
247.07515	10.9
248.08284	8.6
249.05469	1.3
249.09096	5.5
250.09781	2.3
251.07011	15.3
251.10649	11.0
252.07753	6.1
253.08519	34.5
253.12277	4.6
254.09250	2.2
255.06435	11.1
255.10101	12.0
261.09067	1.7
262.10068	1.5
264.07834	5.6
265.08545	18.8
266.09320	1.9
267.10135	10.1
269.08063	8.7
269.11490	2.1
270.08865	13.6
271.09412	1.3
279.00076	1.4
279.10068	19.8
281.07965	2.5
283.09653	10.3
283.12991	1.9
285.11084	5.6
287.12817	2.6
294.33359	1.5
295.09628	6.1
296.10477	12.8
297.07977	1.8
297.11160	32.1
303.19696	1.8
309.11093	2.5
311.12759	11.7
313.10715	2.3
313.14340	2.5
315.12054	2.4
323.12756	5.8
327.12231	13.2
329.13776	81.5
331.15237	14.4
334.19656	1.4
337.14374	7.2
341.13852	3.0
343.11636	2.3
345.13153	2.8
347.14871	1.6
349.14392	2.4
355.15387	33.9
367.15399	10.6
385.16675	2.2
389.20648	1.4
416.36087	1.4
491.20651	3.0
509.21683	10.5
521.21277	2.5
539.23004	11.1
561.88947	1.4
623.25165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.01863	0.4
62.80680	0.3
64.93951	0.3
65.03925	8.5
67.05481	2.0
69.03422	0.6
69.07042	0.4
71.04971	0.5
74.11575	0.3
79.05457	1.7
81.07040	2.1
82.04189	0.9
83.04958	0.4
85.02888	0.7
88.40630	0.4
91.05467	4.7
93.03381	3.1
93.07021	0.6
95.01286	0.4
95.04932	2.5
97.06511	0.4
105.06996	3.1
107.04929	2.8
107.08560	0.9
108.02056	0.4
109.06448	0.5
109.10162	0.5
110.03640	7.8
110.55946	0.4
111.04425	14.0
112.60765	0.4
117.06984	0.9
119.04910	5.1
119.08561	0.5
121.02846	9.1
121.06493	0.9
121.10139	0.4
122.03568	0.5
125.05035	0.5
125.05968	15.2
129.06973	0.7
131.04889	0.7
131.08533	0.8
133.02824	2.0
133.06474	1.4
133.10107	0.6
135.04433	0.5
135.08041	1.8
137.05951	5.2
138.03076	0.9
145.06502	1.6
145.10126	0.5
146.07239	0.4
147.04402	5.2
147.08028	1.8
149.02315	4.0
149.06001	0.4
151.03877	1.6
151.07506	2.4
153.05444	23.9
159.08040	1.5
161.05960	3.4
161.09573	2.5
162.06741	0.9
165.05548	0.5
165.06956	1.5
165.09125	0.7
167.06979	3.9
167.08345	0.8
171.07993	0.5
175.07536	1.5
177.05479	0.4
178.07713	0.6
179.06970	1.5
179.08522	0.7
181.04869	0.8
181.06415	0.8
181.08524	0.9
184.05133	0.8
188.08286	0.9
189.09122	0.9
190.07622	0.4
191.08568	0.6
193.08585	1.8
193.10217	0.5
194.07199	1.4
195.08031	2.9
196.08849	0.4
197.06093	1.4
197.09601	2.1
202.07803	0.4
203.08638	0.6
204.09381	0.5
205.06552	0.6
206.07289	0.7
207.08086	1.5
209.05988	0.6
209.09595	0.7
210.06744	3.1
211.07523	2.4
211.09584	1.1
212.08307	2.2
213.09013	0.5
219.08029	0.8
221.05984	1.4
221.09612	3.1
222.06758	0.5
222.10457	1.3
223.07497	4.0
223.11137	1.7
224.08311	1.6
225.05487	0.6
225.09062	3.7
227.03596	0.4
227.06912	2.6
227.10608	0.9
234.06781	1.5
235.07518	1.6
236.08183	0.6
237.05273	0.7
237.09004	3.8
238.06207	3.5
238.09802	4.4
239.07027	3.9
239.10559	1.9
240.07758	10.2
241.08473	2.0
242.09111	0.5
248.08289	0.4
249.05309	0.7
249.09068	3.5
249.11272	1.9
250.09677	0.6
251.06973	3.0
251.10527	0.9
252.07655	2.7
253.08534	23.0
253.12186	7.6
254.09302	3.7
255.06525	2.4
255.10146	5.8
257.07971	3.0
257.11844	0.7
263.06934	0.8
265.08545	2.2
266.05731	0.8
266.09409	4.1
267.06415	1.8
267.10062	3.8
268.07208	3.7
269.07959	4.0
270.08786	3.7
270.12393	0.9
271.13266	1.5
277.08566	1.9
278.09406	0.6
279.10272	0.5
281.08044	5.2
281.11646	6.6
282.08862	2.3
283.06314	0.9
283.09604	9.9
283.12985	1.2
284.10211	3.8
285.11166	6.1
285.14755	2.3
293.07977	0.6
294.08865	2.0
295.09543	4.9
296.10309	1.5
297.11206	2.1
298.11801	3.5
299.12720	8.8
300.10037	1.4
303.15842	0.9
309.11139	10.3
310.11917	2.6
311.12604	0.5
313.10608	13.3
313.14294	6.1
323.13144	0.5
326.11276	0.4
327.12210	34.7
328.12949	3.4
331.15363	5.6
339.12122	0.8
341.13791	5.6
343.15335	0.7
359.14810	100.0
360.15201	2.0
361.16470	1.8
371.14761	5.9
389.15918	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34477	0.3
55.01860	0.6
56.95017	0.3
61.89212	0.3
65.03926	7.6
67.05490	1.7
79.05459	0.8
82.04179	0.9
91.05463	3.8
93.03397	5.1
95.01305	0.6
95.04947	1.8
97.06547	0.5
99.57044	0.4
105.07011	0.6
107.04928	2.3
108.02089	0.7
110.03645	8.9
111.04427	12.6
119.04913	5.6
121.02832	7.4
121.06505	0.7
125.05966	14.8
129.06934	0.5
131.04881	0.8
133.02840	1.5
133.06433	0.4
135.08026	0.6
137.05972	4.5
137.06866	0.4
138.03125	0.6
145.06467	0.9
147.04405	5.2
147.08064	0.6
149.02327	2.2
149.05977	0.5
151.03882	0.5
151.07542	1.7
153.05446	22.5
157.06477	0.4
159.08015	0.9
161.05962	1.7
161.09587	1.6
162.06766	0.7
165.06993	1.5
167.07109	2.7
167.08340	0.6
169.06488	0.6
174.06715	0.7
175.07506	0.9
177.09012	0.4
178.07738	0.7
179.07109	1.2
179.08449	0.4
181.06378	0.6
181.08540	0.5
182.07275	0.6
183.07991	0.4
184.05077	0.4
187.07532	0.7
188.08258	0.4
189.09073	0.6
195.08041	2.8
196.08752	0.4
197.05937	0.7
197.09601	0.7
203.08548	0.5
205.06493	0.5
207.08063	0.7
208.08798	0.4
209.06017	0.7
209.09357	0.4
210.06721	2.9
211.07489	2.1
211.09445	0.5
212.08267	1.8
213.09065	0.8
219.07994	0.8
221.05992	1.4
221.09529	3.2
222.06721	1.4
222.10347	0.9
223.07510	4.7
223.11064	0.8
224.08344	1.5
225.05417	0.5
225.09006	3.8
226.09798	0.5
227.07025	2.5
227.10658	0.9
231.08040	0.6
233.06015	0.4
234.06747	1.6
235.07472	1.7
235.11176	0.4
236.08281	0.6
237.05461	0.6
237.09058	2.9
238.06151	3.5
238.09897	4.2
239.07027	4.0
239.10638	1.7
240.07736	7.9
241.08534	2.0
248.08311	0.6
249.05336	0.8
249.09062	3.3
249.11302	0.7
250.09882	0.9
251.06825	2.6
251.10733	0.7
252.07686	3.7
253.08545	17.3
253.12157	6.7
254.09410	2.6
255.06583	2.8
255.10123	6.0
257.07941	2.7
263.07071	0.6
263.10580	0.4
265.08484	2.0
266.05734	1.4
266.09363	4.0
267.06421	1.6
267.10074	3.0
268.07269	3.0
269.08044	2.8
270.08841	3.3
270.12360	0.6
271.13232	1.7
272.10318	0.7
277.08618	1.4
278.09351	0.5
279.10107	0.9
280.07462	0.5
281.08044	5.4
281.11685	6.6
282.08881	2.7
283.06424	0.6
283.09613	10.9
283.12878	1.2
284.10315	3.9
285.11218	4.2
285.14795	2.0
291.10220	0.4
294.08728	1.6
295.09659	4.5
296.10410	1.4
297.11148	2.6
298.08582	0.9
298.11871	3.5
299.12665	8.1
300.09665	1.0
303.15915	1.6
309.11172	9.7
310.11810	3.5
313.10626	11.6
313.14337	5.0
326.11472	0.6
327.12189	34.3
328.12912	3.2
331.15320	4.8
339.12137	0.8
341.13733	4.7
343.15680	0.4
355.15390	0.6
359.14810	100.0
360.15192	2.9
361.16367	0.9
371.14853	4.9
389.15863	2.5
491.20538	0.6
599.75043	0.4
631.10260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86243	0.8
53.03926	1.5
53.74076	0.9
55.01857	1.6
57.03430	1.2
61.02914	1.7
67.05492	1.7
69.03412	5.5
71.04949	1.1
79.05474	63.7
81.03404	2.0
81.07037	20.9
85.02891	18.3
90.56218	1.2
91.05466	4.5
93.07035	4.0
95.04939	7.6
95.08587	1.4
97.02880	4.0
97.06516	40.6
99.04468	1.6
104.11676	1.0
105.04478	1.3
105.07006	7.2
107.04945	100.0
107.08591	12.0
109.02869	1.0
109.06498	7.1
109.45558	1.0
111.08051	2.0
113.06060	1.4
114.33620	1.0
119.08535	6.9
121.06474	2.2
121.10166	1.9
123.04455	1.2
123.08044	1.7
125.05972	50.6
127.03905	4.8
129.06961	1.7
131.08557	7.5
132.19783	1.0
133.06529	1.6
133.10106	5.1
135.08038	5.7
135.11684	2.0
137.05957	6.3
141.06926	1.1
142.07736	1.1
143.08554	6.7
145.04922	2.1
145.10143	10.4
147.08064	8.0
147.11684	9.2
149.05940	2.0
149.09547	2.1
151.07510	1.6
153.06981	1.3
153.09070	6.9
156.09322	10.7
157.10072	10.4
159.08005	5.8
159.11685	15.7
160.08723	1.2
161.05934	1.6
161.09572	6.7
161.13248	4.5
163.07465	5.2
163.11156	1.7
167.06989	1.9
169.10147	1.0
171.11647	19.2
173.09624	10.3
173.13237	15.0
174.10530	1.0
175.07547	5.5
175.11128	15.0
177.05429	4.2
177.09068	1.4
183.11685	1.4
184.08768	3.7
185.09605	5.3
187.11134	17.7
189.09016	2.2
189.12720	13.9
191.10654	4.5
193.08612	1.4
199.11153	33.5
201.12730	5.8
203.10648	8.8
205.12144	7.6
215.10664	10.3
217.12221	29.7
221.11780	4.3
227.10632	8.9
233.11736	12.5
235.13232	4.3
236.71014	1.2
245.11696	26.3
245.84631	1.1
263.12726	58.4
281.13800	45.6
377.19540	17.6
387.17993	11.9
405.19131	7.5
423.20187	1.2
552.86298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.0
57.07063	9.8
63.53205	6.3
67.05486	19.5
69.07052	29.7
77.09265	8.4
79.05468	40.2
81.07017	52.9
83.04947	18.3
89.06020	11.8
91.05453	49.1
93.07018	86.7
95.04932	37.1
95.08562	53.2
102.62772	7.2
103.05431	7.7
105.07011	100.0
107.08558	58.9
109.06500	15.6
109.10152	16.3
117.07018	15.5
119.08527	74.4
121.06481	12.8
121.10110	44.2
123.08030	17.8
125.05898	8.7
128.06200	11.8
129.07033	11.3
131.08577	66.0
133.08540	13.0
133.10066	56.2
135.08037	35.6
135.11632	9.3
142.07753	14.8
143.08528	53.2
144.09290	9.5
145.10110	91.8
147.08047	35.6
147.11671	14.6
149.09497	9.4
151.07492	7.7
152.07970	7.3
153.01273	7.2
155.08516	18.5
156.09290	12.5
157.10066	73.8
159.08034	17.5
159.11664	48.8
161.09589	35.6
163.11052	10.8
165.09061	31.6
167.08534	12.7
168.56229	9.1
169.10083	12.7
170.10866	11.2
171.11624	37.9
173.13290	9.6
175.11122	8.2
181.10213	8.1
183.11673	11.8
185.09497	9.3
185.13217	13.7
193.10162	10.6
195.11609	11.4
197.13301	10.6
207.11630	12.7
213.12560	11.2
221.13298	14.1
221.15320	44.6
223.14734	9.5
233.15234	15.7
237.14589	30.5
239.48393	7.9
240.21375	7.9
253.15897	10.2
303.19550	14.8
311.15005	9.1
313.21689	9.0
325.21381	10.2
352.23911	50.3
358.22235	10.1
365.24890	15.5
415.25415	12.6
471.19235	10.8
507.34314	33.8
520.35229	16.4
600.40186	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70028	4.0
54.82093	5.0
55.05499	12.0
57.07063	9.3
60.64469	4.5
64.34366	4.8
67.05491	39.2
67.34399	4.6
69.03405	21.3
69.07040	12.6
71.04969	7.6
79.05468	37.7
81.07039	48.5
83.04950	8.8
83.08617	5.9
85.06527	8.1
89.06010	20.3
90.21066	4.9
91.05459	49.3
93.06491	5.8
93.07032	97.4
95.04945	20.7
95.08588	34.3
103.05465	7.1
105.07016	100.0
107.04926	6.2
107.08583	60.0
108.20751	4.8
109.06516	29.2
109.10148	22.7
111.08022	8.4
117.06989	25.9
119.08565	64.3
121.06556	16.6
121.10132	45.5
123.08040	32.2
128.06165	9.5
129.06961	25.5
130.07773	10.1
131.08546	50.6
133.06424	7.1
133.10127	36.9
134.40756	5.0
135.08029	32.7
135.11610	20.2
137.05960	8.2
137.09602	13.0
141.06950	7.7
142.07780	20.0
143.08568	45.3
144.09314	6.4
145.10107	70.1
147.08006	33.4
147.11646	7.8
149.09622	22.8
151.07523	23.1
154.72110	5.0
155.08553	21.6
156.09285	24.3
157.10098	69.9
158.10884	6.2
159.08025	21.0
159.11661	45.3
161.09602	30.0
163.11115	8.6
165.06941	6.3
165.09114	36.9
169.10092	26.5
170.10881	8.4
171.11664	28.3
173.09630	19.9
173.13277	12.4
175.11208	20.5
176.11833	7.4
177.09067	5.5
180.09297	8.8
181.10088	22.6
181.12234	6.4
182.10898	5.6
183.11623	36.0
185.13167	19.7
187.11235	7.0
189.12642	8.1
191.10728	5.4
193.10088	10.2
193.12086	7.0
193.54117	5.7
195.11691	21.4
196.12506	5.9
197.13153	7.9
199.14746	7.0
202.10818	5.1
203.14371	12.6
207.11699	10.5
207.13715	11.0
208.12428	6.4
209.13234	23.7
211.11072	8.0
211.14792	6.8
213.12672	6.8
215.14166	6.8
221.13338	10.0
221.15343	38.5
231.11607	6.2
231.26717	5.6
233.15317	19.9
237.14758	8.3
248.11029	4.6
255.17616	14.0
286.19409	11.6
303.19534	24.4
325.21393	12.5
340.14340	5.0
352.24121	46.1
365.24622	20.6
507.34229	34.8
520.35272	31.4
600.41309	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
53.49581	1.9
55.01873	3.5
55.05505	27.5
57.07067	9.4
57.19498	1.9
67.05499	35.8
69.03423	14.8
69.07069	21.1
71.04975	4.7
79.05479	39.1
81.07038	42.3
83.04954	18.0
83.08608	13.3
85.06516	5.0
91.05462	62.4
93.07027	69.9
95.04943	23.4
95.08595	39.5
97.06516	13.2
103.05436	3.5
105.07018	100.0
107.04977	2.5
107.08578	63.9
109.06495	19.6
109.10143	21.6
111.04361	2.7
111.08096	4.7
115.05446	4.3
117.07000	25.9
119.04905	2.7
119.08565	82.2
121.06480	15.3
121.10139	44.9
123.08052	26.7
125.09634	10.9
126.37085	2.1
128.06219	14.2
129.06990	27.7
130.07796	12.4
131.08546	49.9
132.09314	2.5
133.06487	3.9
133.10117	47.0
135.08011	17.4
135.11688	12.7
137.09573	8.7
141.07016	11.1
142.07745	33.3
143.08554	61.0
144.09334	12.3
145.06473	11.6
145.10123	81.8
146.07295	3.3
147.08049	17.8
147.11679	20.5
149.09618	18.1
149.13217	3.0
151.07593	3.6
153.07018	5.0
154.07669	2.7
155.08553	27.3
155.10643	3.4
156.09317	30.2
157.10114	66.0
158.10895	14.2
159.08020	18.8
159.11653	40.7
160.08836	4.2
161.09604	17.6
161.13268	8.9
163.11171	5.1
165.07004	9.8
165.09090	8.2
166.07800	4.5
167.08536	16.4
167.10674	10.6
168.09320	11.9
169.10103	39.6
170.10912	18.9
171.11650	37.7
172.08801	2.8
172.12485	3.3
173.09575	9.6
173.13206	16.9
175.11143	17.1
179.08572	15.2
180.09325	13.0
181.10066	21.9
182.10909	15.2
183.11647	31.9
184.08784	2.2
184.12323	3.9
185.09564	4.2
185.13203	19.5
187.11174	4.7
187.14830	4.7
189.12746	8.3
190.13515	2.6
191.14311	3.5
192.09361	5.1
193.10129	13.9
193.12010	2.2
194.10893	13.8
195.11667	31.2
196.12491	10.3
197.13252	26.8
199.11185	9.1
199.14821	10.5
201.12798	5.0
201.16431	3.5
203.14297	10.2
205.10057	4.9
206.10971	10.7
207.11705	24.0
207.13649	5.0
208.12437	12.2
209.13248	32.0
210.14038	4.7
211.11311	3.6
211.14796	17.8
213.12640	7.7
213.16374	3.7
215.14290	9.5
218.16705	2.8
219.11703	4.3
220.12518	4.5
221.13225	17.7
221.15404	12.7
222.13979	4.3
223.14693	19.1
225.12825	4.8
225.16449	3.7
227.14304	3.9
231.11748	3.9
232.12422	4.2
233.13211	15.6
233.15417	18.1
234.13895	3.2
234.16150	3.0
235.14784	12.8
237.12709	3.9
237.16356	13.8
239.14276	3.5
243.11546	2.8
243.17537	3.2
245.13194	2.6
246.14053	4.0
247.14731	4.2
249.16321	11.6
255.17351	23.8
259.14606	4.1
261.16443	2.4
263.17764	3.6
267.17490	2.9
269.19125	2.8
270.19510	2.2
273.18600	3.5
287.20206	3.9
295.20563	3.9
347.23218	2.5
383.25998	3.4
600.40948	9.4
602.12714	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.05495	17.3
57.07055	11.3
57.62912	1.7
59.04967	1.6
64.88546	1.6
67.05498	26.2
69.03418	16.0
69.07047	14.5
71.04974	2.8
79.05484	32.7
80.06219	2.3
81.07041	35.4
81.64672	1.8
83.04971	18.2
83.08602	7.8
85.06506	8.9
87.04435	3.3
89.06024	3.0
91.05462	54.6
92.08698	4.0
92.63269	2.0
93.07024	74.4
95.04955	26.1
95.08076	2.9
95.08591	37.9
97.06511	12.2
103.05441	3.9
105.07014	100.0
106.07248	2.3
107.04932	3.6
107.08577	50.4
109.06512	25.1
109.10175	18.8
111.08063	7.8
115.05415	4.4
116.06218	2.1
117.07010	24.2
119.08565	85.8
121.06485	17.4
121.10119	42.3
123.08063	24.3
125.05987	4.0
125.09613	4.1
126.26862	2.2
128.06190	11.4
129.06970	26.3
130.07750	10.8
131.08554	43.6
132.09312	2.4
133.06459	10.4
133.10104	44.7
135.08034	28.7
135.11679	11.7
137.05933	3.7
137.09587	12.7
139.11121	1.9
141.06972	10.4
142.07761	29.4
143.08546	47.4
144.09346	16.0
145.06477	4.6
145.10118	64.9
146.10844	3.3
147.08047	37.5
147.11687	15.9
149.09610	20.0
151.07533	23.6
154.07681	3.4
155.08553	22.8
156.09306	22.4
157.10098	76.6
158.10844	10.6
159.07994	16.1
159.11662	41.0
160.08751	2.3
161.09613	24.4
161.13222	11.0
163.11168	10.5
165.06972	8.8
165.09079	36.2
167.08517	9.4
167.10638	9.0
168.09309	10.0
169.10088	31.8
170.10806	12.8
171.08061	3.3
171.11641	33.5
172.08781	2.0
172.12303	2.9
173.09572	11.1
173.13242	17.3
175.11142	28.7
175.14778	4.6
177.09097	2.2
177.12701	2.5
179.08521	8.6
179.10728	3.2
180.09277	8.4
181.10081	16.0
181.12190	3.1
182.10909	9.1
183.11671	23.9
184.12433	2.8
185.09616	3.8
185.13261	21.2
187.11140	9.8
187.14774	4.4
189.12746	11.7
190.13503	2.9
191.14246	4.1
193.10121	11.7
193.12173	9.8
194.10892	12.5
195.11674	22.4
196.12354	8.3
197.13292	20.4
199.11154	9.3
199.14752	2.9
201.12773	8.4
203.14316	21.3
205.09946	3.8
206.10924	3.5
207.11652	14.2
207.13763	13.5
208.12421	7.3
208.14479	3.1
209.13268	19.6
209.15158	3.5
210.13959	2.8
211.11192	7.8
211.14807	9.3
213.12724	11.2
213.16382	3.7
215.14192	3.7
217.10077	3.2
219.11642	7.5
219.13681	2.7
221.13205	12.3
221.15335	53.7
222.13986	2.7
223.11217	6.0
223.14737	10.4
225.12766	4.4
225.16299	3.5
227.14232	2.3
232.12363	3.6
233.13138	6.6
233.15331	22.0
234.16023	2.5
235.14766	10.8
237.12682	3.6
237.14619	22.1
239.14238	2.4
241.15855	2.3
245.13193	3.8
246.13878	3.6
247.14754	3.9
247.16975	2.7
248.13753	5.7
249.16206	2.4
253.15834	9.0
255.17357	11.3
259.17017	3.9
261.16257	2.5
263.18085	2.7
271.17032	2.7
274.19278	2.6
277.15671	2.5
279.17487	7.8
281.18896	2.6
286.19312	7.5
287.20023	2.8
295.20566	2.6
297.18213	2.6
299.20029	11.6
303.16702	2.3
303.19592	28.1
312.20905	4.0
313.21469	3.7
319.20483	2.5
325.21616	3.8
337.21564	3.5
352.23926	52.6
365.24643	11.8
370.79541	2.0
377.24622	2.8
494.33783	2.2
502.34198	10.2
503.35077	2.9
507.34418	11.8
508.34872	9.6
520.35406	39.0
599.40521	7.8
600.41064	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50346	1.8
53.41209	2.0
54.81918	2.9
55.05493	16.6
57.07072	17.6
59.04976	9.6
67.05491	26.3
69.03408	16.0
69.07049	18.3
71.04972	2.6
71.24632	2.1
71.90443	2.1
79.05473	41.7
81.07043	43.5
83.04971	21.6
83.08605	11.4
85.06505	4.7
89.05967	3.0
91.05461	64.8
93.07024	94.3
95.04939	19.7
95.08583	31.2
97.06495	9.6
103.05451	2.9
105.07011	100.0
107.08575	56.7
109.06509	20.0
109.10134	17.4
111.08049	4.8
115.05434	4.2
117.07014	31.4
119.08553	87.0
121.06487	26.1
121.10114	42.8
123.08047	29.0
123.11700	3.3
125.05971	3.8
125.09592	3.5
128.06177	18.2
129.07011	25.1
130.07779	6.1
131.00214	2.2
131.08551	47.9
133.06508	4.5
133.10098	47.9
134.10425	2.9
135.08044	27.6
135.11641	11.8
137.05930	4.6
137.09579	18.1
139.07507	3.0
141.06960	15.5
142.07758	39.8
143.08549	66.7
144.09296	13.1
145.06464	5.6
145.10109	63.4
147.08026	37.0
147.11655	13.8
148.08833	3.4
149.09593	23.6
151.07484	20.7
154.07664	4.2
155.08472	22.0
156.09319	18.8
157.10104	73.7
158.10835	6.1
159.07990	22.7
159.11642	36.5
161.09552	22.1
161.13242	9.8
163.07539	3.3
163.11148	11.4
165.06918	9.6
165.09099	43.3
166.07782	3.0
167.08511	10.0
167.10629	9.5
168.09288	4.7
169.10112	33.2
170.10876	14.9
171.08011	3.6
171.11667	43.2
172.12358	4.0
173.09598	17.2
173.13293	18.8
175.11163	26.8
177.09038	3.8
179.08540	13.8
180.09296	10.7
181.10062	19.7
181.12157	5.4
182.10855	10.7
183.11664	27.5
185.09590	4.9
185.13240	24.6
186.13847	3.3
187.11150	10.7
187.14845	3.3
189.12659	17.8
190.13475	5.5
191.10643	3.2
191.14259	4.2
193.10083	15.2
193.12228	11.1
194.10820	13.1
195.11679	29.4
196.12424	9.1
197.09660	4.1
197.13257	18.0
199.11072	9.3
199.14738	4.7
200.11989	3.7
201.12566	4.6
201.16219	3.3
203.14285	17.1
206.10875	4.3
207.11662	17.4
207.13750	13.8
208.12383	5.9
209.13219	16.6
211.11183	3.7
211.14740	14.7
212.11964	3.2
213.12798	5.2
215.14267	6.0
217.10007	3.1
219.11626	13.1
220.12477	9.7
221.13162	18.0
221.15332	55.9
222.13919	3.3
222.15901	3.5
223.11066	2.9
223.14787	5.6
225.12770	5.9
225.16190	4.3
227.14235	4.5
230.12862	3.2
231.11707	4.0
233.13232	7.8
233.15312	27.3
234.13800	2.9
234.15958	5.9
235.14726	15.0
237.12665	5.3
237.14774	16.5
239.14185	3.9
246.13724	3.9
247.14589	5.1
247.16913	8.8
248.13974	4.7
249.16371	5.4
253.15771	3.6
255.17320	16.5
269.18936	2.9
271.16925	5.2
273.18515	3.3
274.19269	3.0
279.17401	3.3
281.18787	5.2
286.19211	5.2
287.20111	4.7
294.19641	3.0
299.19922	9.7
303.19522	38.1
313.21338	4.7
325.21695	5.5
337.21567	3.0
352.23892	54.2
365.24606	13.3
383.26028	3.0
502.34232	5.6
503.35016	2.9
507.34415	16.8
508.34937	12.1
520.35156	38.5
582.39441	2.9
599.40234	5.7
600.41266	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	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
53.96298	1.7
55.01870	2.1
55.05504	8.3
57.07063	16.0
59.04984	5.0
62.76049	1.8
64.13666	1.9
66.35934	2.1
67.05493	22.3
67.27124	2.1
69.03411	17.2
69.07047	14.5
71.71063	2.4
79.05479	27.1
81.07038	35.9
83.04960	12.6
84.21658	2.0
85.06519	4.2
86.95624	2.2
87.72792	1.9
88.38851	1.9
89.06022	8.0
91.05463	51.5
92.06274	2.8
93.07024	61.3
94.07368	3.3
95.04955	18.0
95.08582	34.8
97.06503	11.0
105.07020	94.4
106.07859	3.5
107.04964	2.2
107.08580	39.6
109.06504	23.8
109.10149	13.3
111.08125	2.7
115.05422	4.2
117.07015	25.8
119.08566	100.0
120.09338	2.3
121.06486	13.5
121.10123	35.4
123.08052	32.2
123.11694	3.3
125.05947	19.3
128.06183	9.5
129.06995	18.1
130.07773	3.3
131.08549	39.4
132.09335	3.2
133.06445	8.3
133.10098	38.9
134.10890	4.2
135.08032	28.7
135.11679	12.6
137.05969	4.9
137.09612	27.3
139.07487	2.9
141.06982	4.0
142.07773	12.8
143.08563	37.8
144.09288	11.3
145.06447	3.8
145.10117	67.1
146.10518	3.0
147.08044	54.5
147.11700	12.1
149.09601	18.0
151.07513	17.4
151.47688	2.0
154.07684	2.1
155.08557	18.6
156.09315	11.5
157.10112	52.7
158.10815	3.7
159.08054	11.1
159.11678	38.9
160.08765	2.5
160.12411	2.5
161.09605	19.4
161.13229	10.6
163.11150	24.9
165.07034	3.1
165.09085	71.1
166.09503	3.0
168.09326	3.9
169.10095	24.3
170.10817	11.1
171.11649	28.5
172.08728	2.0
172.12149	2.2
173.09557	10.4
173.13203	15.1
175.11168	28.9
177.12733	3.3
179.08516	2.1
179.10588	2.7
180.11504	2.3
181.10086	15.2
181.12225	17.7
182.10788	8.4
183.11702	26.0
185.09538	4.7
185.13216	11.4
187.11220	8.0
187.14792	3.1
188.11937	2.5
189.12724	8.8
190.13449	9.2
191.10657	9.2
192.11324	2.5
193.10194	3.9
193.12227	14.3
194.10905	4.1
195.11688	9.1
196.12337	4.6
197.09503	2.4
197.13171	14.6
198.10315	3.1
199.11125	8.8
199.14754	8.1
201.12708	10.8
203.14287	25.3
206.10841	4.3
207.11835	7.3
207.13815	14.5
208.14511	4.3
209.13232	9.2
211.11176	4.0
211.14835	10.5
213.12715	5.2
214.13240	3.0
215.14172	3.0
219.13734	7.9
221.13326	5.6
221.15332	97.7
222.15660	10.0
223.14792	4.0
225.12790	3.5
225.16359	4.8
227.14310	4.0
229.15822	2.7
231.13757	4.3
233.15401	2.8
234.16110	11.9
235.14684	3.4
239.14262	3.3
247.14584	2.6
247.16890	23.2
249.16508	3.3
251.14432	3.9
260.17450	2.9
265.15829	3.6
269.15311	2.9
271.16898	5.0
274.19208	13.1
281.19138	4.1
286.19299	4.5
287.19998	8.1
299.19888	15.5
311.19962	4.3
312.20856	8.0
313.21515	3.1
325.21509	17.3
326.21863	2.2
327.22971	2.4
339.23138	5.2
340.23959	23.3
352.23883	25.2
365.24731	2.9
392.26788	3.1
413.27045	4.0
415.25757	2.6
419.29343	3.5
420.30011	8.4
425.26758	12.2
427.28381	23.5
440.29245	57.6
507.34412	3.5
513.60992	2.7
520.35535	42.0
585.39056	4.0
599.40894	15.2
600.41296	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	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79128	0.1
52.88652	0.1
57.03416	0.3
59.26344	0.1
61.02913	0.2
67.05431	0.1
69.03416	1.1
69.07054	0.2
79.05452	0.3
81.03392	0.3
81.07026	2.0
83.04961	0.2
85.02888	2.2
85.06484	0.2
91.05461	1.6
97.02842	1.1
97.06474	0.3
105.07027	1.3
107.04936	1.1
107.08559	0.3
115.05405	1.3
116.06176	0.3
117.06989	1.0
119.08572	0.4
121.06487	0.2
125.05944	0.2
128.06187	2.2
129.06973	7.1
130.07741	0.2
131.04860	0.8
131.08537	9.3
132.05722	0.3
133.06444	1.4
133.10110	0.8
141.06955	2.3
142.07782	0.7
143.04828	0.2
143.06982	0.4
143.08548	1.9
144.05685	3.5
145.06471	2.7
145.10132	0.4
146.07210	0.8
147.04390	0.4
147.08115	0.2
153.05486	0.2
153.06946	0.8
155.04828	0.2
155.06015	0.4
156.05626	0.6
157.06458	4.2
158.07216	0.9
159.08017	17.4
160.05135	0.2
161.05930	1.0
161.09569	4.6
162.33588	0.2
167.07002	0.9
169.06352	0.3
169.07587	1.3
170.07188	2.9
171.08018	3.7
172.05081	1.1
173.05898	1.8
174.06685	1.2
175.07507	1.1
178.06152	0.6
184.05127	0.4
185.05916	0.2
186.06830	0.2
187.07500	12.9
188.08177	0.7
189.05421	1.0
189.09073	5.2
190.06267	0.3
191.06952	0.4
192.07735	0.4
193.08435	0.5
198.06744	1.1
199.07541	1.9
201.05463	0.4
203.06953	2.1
204.07779	7.9
205.08585	1.2
206.09428	0.6
207.10104	0.2
216.07823	2.0
217.08565	0.3
218.09352	0.9
219.10115	2.7
221.08075	0.7
221.11685	1.5
223.13196	0.9
231.10086	4.0
237.11105	0.9
249.11157	100.0
250.11444	1.3
267.12186	3.7
304.16415	0.2
311.18201	0.2
328.05270	0.2
576.44727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54380	0.6
51.79677	0.6
53.03936	1.5
55.01858	1.2
55.05505	1.0
56.96537	0.7
57.03427	1.2
61.02919	1.3
63.31558	0.7
67.05511	0.9
69.03421	6.7
69.07047	0.9
71.04976	1.2
73.02892	1.1
78.04681	1.2
79.05479	6.1
79.50720	0.6
81.03397	15.2
81.07033	5.1
85.02881	17.1
85.85610	0.7
88.76342	0.7
90.80660	0.8
91.05466	5.3
93.07014	4.5
95.04945	3.0
95.08576	1.6
97.02886	6.3
97.06516	0.7
103.05458	3.6
105.04473	0.7
105.07018	3.8
107.04939	18.2
107.08576	1.6
109.02827	1.0
109.10127	1.7
111.04413	0.8
115.05432	9.4
117.07001	27.2
119.08553	1.4
121.06472	1.3
121.10085	2.8
123.04391	5.6
124.05199	3.1
125.05895	0.9
127.03929	1.1
128.06229	0.9
129.06973	5.1
131.04875	2.6
131.08528	6.5
132.05705	0.9
133.06458	4.3
133.10156	1.3
137.05933	3.5
137.09610	1.1
140.04620	1.0
141.06985	3.3
141.89191	0.7
143.04950	1.2
144.05670	5.4
145.06462	67.2
145.10175	0.9
147.08023	2.9
151.11101	0.8
152.04733	1.1
155.05978	7.3
156.05692	9.8
157.06474	4.2
159.08046	10.3
160.05209	1.3
161.05923	7.5
161.09618	1.2
163.03806	0.9
165.09061	0.8
167.06996	69.5
169.06436	0.8
173.05945	100.0
174.06526	1.0
175.07561	3.7
177.05453	0.7
177.09142	1.0
180.08601	3.2
181.04944	0.8
183.06534	1.2
184.05153	3.7
186.06644	1.0
187.07498	9.8
190.06215	63.4
191.06961	5.8
193.08655	3.7
202.06235	7.3
203.06956	9.0
204.07573	1.2
205.08560	98.4
207.06400	1.7
207.10112	1.1
208.05360	0.8
208.08826	0.9
210.06911	0.9
215.07013	1.0
217.08554	60.9
218.09245	1.0
219.08144	1.2
219.10127	4.4
223.09622	2.8
223.17000	0.8
231.08063	1.2
233.09598	1.0
235.09619	23.2
247.07373	3.1
247.09648	8.2
248.08298	3.0
254.05653	0.9
256.07245	0.9
259.07523	1.2
263.10666	1.4
264.07828	1.1
265.10669	40.3
269.08032	2.9
271.09613	1.7
275.06891	1.3
276.07703	2.8
279.10037	1.8
291.10129	1.5
293.08081	1.3
304.07306	1.1
305.07730	0.7
307.09744	1.3
311.18146	0.9
315.08575	6.6
323.12534	1.6
330.10956	7.4
331.11627	3.7
337.10699	1.0
339.12393	1.5
351.12259	3.7
353.10559	0.9
356.12503	0.9
368.12631	0.9
371.14709	3.1
383.14877	10.2
401.15872	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	598.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.8
57.07069	46.7
67.26610	4.0
71.08610	31.7
72.04118	4.2
73.06496	3.9
81.07054	7.8
84.65716	4.2
85.10168	25.8
89.06015	100.0
93.07030	9.2
107.08615	5.6
121.10143	4.5
133.08600	45.1
133.10071	5.5
177.11206	11.0
185.65381	5.2
231.93636	5.0
249.65959	4.8
299.29492	6.2
343.32056	6.9
428.87170	4.5
456.88443	4.2
581.45911	15.8
598.48932	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81751	1.0
56.38450	0.8
57.67888	0.8
61.02913	2.0
67.05470	1.5
69.03406	4.4
71.04985	1.2
75.07434	0.9
79.05457	9.9
81.03397	23.2
81.07035	4.2
85.02898	18.3
85.06515	1.1
91.03929	1.2
91.05457	4.7
91.58842	1.1
93.07031	4.0
95.04950	2.6
95.08600	1.7
97.02861	8.0
103.05469	2.1
105.07008	5.6
107.04935	15.9
107.08554	1.8
109.02893	1.1
109.10139	1.0
115.05437	10.2
117.06995	24.9
118.04163	1.3
119.08538	6.1
121.10070	1.3
123.04395	6.2
123.08041	1.1
124.05189	1.9
125.05933	1.7
126.42036	1.0
127.03886	4.7
128.06221	2.5
129.06023	1.1
129.06949	3.9
131.04933	4.1
131.08514	9.4
133.06425	4.6
134.84280	1.0
137.09650	1.2
138.77629	1.1
141.06996	1.9
143.04976	1.3
144.05630	5.5
145.06479	70.9
147.08031	2.3
147.11618	1.4
152.04643	1.2
155.06032	9.8
156.05690	13.5
157.06400	4.6
159.07988	12.4
160.05161	1.4
161.05920	5.6
167.07002	80.8
173.05954	92.4
175.03850	1.1
175.07515	2.6
180.08632	2.3
183.06462	1.2
184.05182	2.3
187.07516	8.7
190.06219	61.6
191.06999	2.5
193.08533	4.2
197.49158	1.1
202.06229	7.4
203.06956	10.7
205.08569	100.0
217.08571	63.2
218.09151	1.4
219.08115	1.4
219.10091	5.7
222.49150	1.1
223.09477	2.4
235.09619	27.7
247.07430	2.3
247.09689	5.9
248.08269	2.3
259.07288	1.2
261.08923	1.6
264.07605	1.9
265.08072	2.0
265.10678	36.2
265.36600	1.0
269.08115	1.9
270.08701	1.2
276.07806	1.6
277.08447	1.1
279.10037	1.8
290.09375	1.4
291.10095	2.3
307.09396	2.0
315.08386	6.3
323.12592	1.9
330.10855	8.5
331.11642	1.9
339.12402	1.3
351.12119	5.2
367.37756	1.2
371.14688	2.5
383.14679	12.9
399.02536	1.2
401.15878	11.0
596.47833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1814
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01862	8.8
55.52461	1.7
57.03421	4.1
65.03926	3.0
67.05509	2.7
68.99777	2.8
73.02899	2.0
79.05461	2.2
81.03403	7.2
83.01341	2.7
85.02891	28.3
91.05457	12.1
93.03392	18.5
95.04929	8.0
97.02877	17.7
103.03945	2.4
105.07013	3.7
107.04944	30.1
109.02856	21.5
109.06474	2.1
110.93792	1.9
111.04456	7.8
111.38062	1.9
114.36514	1.8
115.05447	2.7
117.07020	3.2
119.04937	13.7
121.02853	31.3
121.06475	11.1
122.03701	2.1
123.04422	17.8
127.03894	8.5
129.06952	2.1
131.04941	2.9
133.02788	2.3
133.06435	9.5
135.04384	26.4
137.05957	2.2
139.03882	12.7
145.06491	7.2
147.04410	31.4
147.08038	1.8
149.02336	9.0
149.05991	3.0
151.03911	9.1
153.01822	7.7
157.06491	2.7
159.04384	16.6
161.02332	2.9
161.05978	12.0
163.03870	12.3
165.01810	12.4
171.04358	3.2
173.02275	4.3
173.05942	11.9
175.00220	3.6
175.03877	9.0
175.07581	3.3
177.01823	27.3
177.05405	14.4
179.03343	3.9
182.11150	2.0
183.02892	4.2
185.05948	3.2
187.03909	12.7
189.01788	25.4
189.05530	9.1
191.03348	25.5
193.01294	3.0
195.02867	53.5
199.03839	2.3
201.01817	7.7
201.05392	21.0
203.03375	17.9
205.01361	4.3
205.04964	11.0
207.02861	58.6
209.04440	3.7
213.05496	2.8
215.03339	19.7
217.04944	3.7
219.02859	100.0
221.00880	2.6
221.04395	9.2
223.02298	14.5
223.89003	2.1
225.03819	30.6
227.03423	4.2
229.04932	24.8
231.02818	54.0
233.04425	31.3
237.03886	25.0
239.03398	2.0
243.02853	30.1
243.06447	7.6
245.04410	10.9
247.06046	3.8
249.03903	25.6
253.04913	2.2
255.02824	8.5
257.04398	21.4
261.03906	99.2
269.04294	7.5
271.05939	8.6
273.03864	51.6
275.05429	2.7
279.04938	3.2
281.04572	3.4
285.03879	46.2
285.07108	3.9
287.05692	2.2
291.04932	26.1
297.03824	16.7
297.07458	16.5
299.05432	11.1
303.04932	34.4
309.03729	3.6
309.07190	8.5
315.04950	8.5
315.79620	1.9
321.06033	18.1
325.07123	2.1
327.04926	36.3
327.08502	13.3
339.08563	22.9
345.06042	9.6
351.08585	8.5
357.05875	7.7
357.09659	3.4
363.07007	24.2
369.06134	3.1
375.06982	2.6
381.09561	22.9
387.07065	9.2
393.09814	15.1
405.08365	24.6
411.10672	3.2
417.09723	2.8
423.10175	18.3
429.11893	21.9
441.11053	21.7
447.10727	17.2
459.12741	23.4
465.11823	3.7
483.12796	13.3
495.12637	9.2
507.12943	8.7
525.13715	9.3
534.68719	2.3
540.37939	2.2
543.14667	11.1
596.67065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.3
55.01863	14.4
55.05498	2.4
56.96553	1.2
57.03439	7.8
57.07037	0.9
61.02917	10.8
67.05482	1.2
68.99757	4.8
69.03417	41.2
69.07051	1.1
71.04976	9.3
73.02901	11.9
79.05470	1.9
81.03399	53.4
81.07050	7.2
83.04945	0.9
85.02892	100.0
87.00812	42.0
87.01217	0.9
90.40550	0.9
91.03923	4.0
91.05446	4.5
92.64327	1.0
93.07020	4.5
95.04940	2.4
95.08585	2.4
97.02871	35.4
99.04429	19.7
105.01849	27.6
105.06998	6.4
107.04931	2.2
107.08586	4.1
108.04441	6.5
109.02869	39.7
109.06499	2.1
109.10106	1.1
115.03936	1.2
117.01843	7.0
119.08583	4.2
121.06464	1.8
121.10042	1.3
126.05515	1.8
127.03896	54.3
129.01799	6.9
129.06963	1.3
131.04904	1.7
131.08528	1.4
133.06461	15.1
133.10114	1.6
137.05954	41.0
144.12924	1.1
145.04951	18.6
145.10152	2.3
147.02803	1.6
147.08083	1.3
147.11662	4.4
151.07425	2.2
157.10062	2.1
159.02843	21.6
161.05923	8.3
173.09601	1.3
175.11156	16.5
177.08989	1.1
197.04279	1.3
205.12170	5.0
207.13739	15.0
211.09341	1.4
213.03839	1.2
231.04980	12.8
231.13828	4.7
240.38043	1.1
248.07523	2.2
291.15298	1.0
331.18951	7.3
355.19034	19.3
397.20221	7.9
421.20016	2.2
439.21017	5.6
461.49405	1.0
595.33179	1.7
596.33252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06903	1.1
55.01863	12.4
59.70099	1.1
68.99789	2.2
69.17889	1.1
70.02927	6.1
74.00639	2.4
76.03997	1.8
83.06096	15.6
84.04489	37.5
84.34177	1.3
85.02892	1.5
85.04059	1.2
93.03386	1.6
97.02847	1.7
99.05527	5.0
99.87641	1.4
106.48724	1.4
107.04945	1.7
109.06468	1.4
109.07616	2.7
111.04419	5.8
112.03955	13.5
116.01708	1.4
119.04942	1.9
123.04414	10.2
127.03887	11.1
129.06593	26.0
130.04985	46.1
135.02617	2.3
135.04410	4.7
135.05534	1.2
136.02130	3.1
137.00565	2.0
137.02336	1.4
139.03885	100.0
140.04216	1.8
140.99988	1.8
145.06082	10.7
147.04398	8.4
148.05173	16.3
149.00510	12.7
149.02353	2.0
149.04739	2.1
150.00615	1.3
151.02110	2.5
151.03946	2.2
153.03688	6.9
153.06578	7.3
155.01591	35.6
155.02777	1.8
155.08136	7.1
162.03706	6.6
162.05420	12.1
163.02118	21.9
163.03882	35.8
165.00029	7.3
167.01590	7.1
174.03734	1.6
175.03864	1.3
175.06270	5.3
177.03279	1.5
178.03203	5.4
179.01590	23.1
179.03094	2.0
180.02765	1.6
181.03162	33.3
181.06161	2.5
182.02673	6.7
183.01085	4.9
184.04279	2.8
190.03168	5.2
191.01645	3.1
194.02679	2.0
195.01025	2.3
196.04234	2.6
199.07121	7.2
208.04253	34.8
208.06187	1.7
209.02641	7.4
219.01146	2.6
220.04118	1.7
220.09329	1.4
226.05261	2.5
229.03169	2.3
236.03896	1.7
257.02496	13.9
266.04877	1.5
270.05148	8.9
275.03531	1.6
282.04312	3.0
285.01987	9.0
288.00830	1.3
299.07031	16.6
303.03174	90.2
311.03873	3.3
311.06894	80.8
312.05087	2.1
329.04684	3.0
329.07941	18.5
353.08002	1.9
383.09091	16.9
416.29733	1.6
449.10062	22.4
458.12183	34.2
503.11099	12.9
521.12018	14.5
578.14136	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	595.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42978	0.7
59.90047	0.7
67.05487	0.8
76.31205	0.8
79.05451	0.9
81.07041	1.8
85.02893	3.9
91.05463	1.0
93.06998	1.8
95.04978	0.8
95.08572	1.6
105.07009	1.2
109.10109	1.1
121.06384	0.9
121.10072	1.0
123.04295	0.9
127.03851	1.0
128.10086	0.8
133.10107	1.3
141.05231	4.3
147.11642	1.2
155.06787	9.0
177.08833	23.3
193.08331	11.5
235.13098	1.3
309.16653	100.0
345.03772	0.9
395.76343	0.8
595.21631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30414	1.3
55.01868	32.7
56.05024	1.2
65.03925	1.7
68.99768	1.8
74.00629	4.4
76.02200	1.2
76.03966	1.1
81.03400	1.4
83.06111	13.3
84.04493	53.7
95.04942	1.5
97.02864	1.7
98.40173	1.2
99.02692	2.6
109.01048	1.1
111.04436	2.8
111.14519	1.1
111.36452	1.2
112.03957	27.5
123.04370	7.4
127.02122	30.7
127.03867	6.2
129.06586	19.2
130.04984	95.4
135.02644	13.8
135.04416	1.8
139.03888	100.0
147.04350	1.5
148.05133	1.3
149.00517	4.5
151.02080	2.6
151.03854	4.9
153.06575	2.3
155.01596	43.7
162.41370	1.2
163.02122	20.6
163.03868	32.7
165.00011	1.5
165.05382	4.7
175.02121	4.8
179.00113	2.3
179.01590	35.7
179.03203	1.6
181.03154	7.4
183.01077	67.0
189.00029	5.9
191.01599	20.2
196.04253	5.1
197.05907	1.4
199.07172	1.6
203.01526	10.9
207.01097	2.6
208.04272	5.6
209.02652	22.6
215.88919	1.5
219.01172	1.9
226.05312	6.4
236.03781	1.6
237.02017	2.4
242.05676	4.5
270.05127	6.1
281.05957	2.7
282.04327	8.5
299.06754	1.5
303.03128	21.2
312.05295	9.9
329.07993	78.2
330.08789	1.3
382.11871	1.3
383.08881	16.0
395.09091	1.3
432.07227	1.6
441.08914	1.4
449.09882	6.4
458.12228	50.1
503.11288	2.5
521.11987	6.6
551.11719	1.4
578.14856	1.2
596.14886	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	595.1656
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
53.03915	0.6
54.75283	0.3
55.01845	0.6
57.03387	1.7
58.15195	0.3
61.02880	1.9
64.33735	0.3
64.36032	0.4
65.43958	0.3
66.43222	0.3
68.99760	0.5
69.03416	5.3
72.18403	0.3
73.02879	0.7
81.03402	2.9
82.53792	0.3
83.87887	0.3
85.02442	0.6
85.02892	12.0
87.04448	0.4
97.02877	4.3
109.02838	2.1
119.04935	2.9
121.02846	8.3
127.03847	1.8
133.02740	0.4
141.01778	0.8
145.02811	2.8
149.02269	2.3
163.03885	3.6
165.01794	8.9
167.03380	4.2
177.01752	0.8
177.05432	0.4
179.03305	0.4
181.04927	0.7
183.02888	4.4
186.02898	0.3
187.03821	1.7
195.02875	2.8
205.04932	1.4
207.02846	0.4
215.03378	0.5
229.04932	1.7
233.04376	0.5
239.06993	0.8
243.02792	0.7
253.08548	0.5
255.06604	0.6
256.07404	0.5
261.03934	0.5
267.06494	14.0
270.05197	4.6
271.05945	8.9
279.06268	1.3
281.08035	9.7
283.05957	100.0
284.06708	13.7
285.07523	1.5
293.07977	0.6
294.05188	0.4
295.06018	14.0
295.09534	2.1
297.04419	0.6
297.07404	3.5
305.08035	2.5
307.05893	2.7
308.06799	2.1
309.04044	1.5
309.07483	26.6
310.07944	0.5
311.05338	0.6
313.07010	92.8
314.07074	0.6
321.07547	3.3
323.09076	15.9
325.06931	0.8
333.07626	3.9
335.05688	0.5
337.06989	35.6
349.06989	11.7
351.08725	3.0
361.06961	9.5
367.08066	15.5
379.08026	13.4
397.09073	11.9
415.10147	23.1
433.11224	28.6
584.54260	0.4
595.16260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04024	0.6
53.03923	0.7
55.01861	3.0
57.03414	4.5
61.02903	1.1
65.03918	1.2
67.05488	0.7
68.99773	0.8
69.03404	2.9
70.06557	0.7
73.02875	1.2
75.81950	0.6
81.03383	1.3
85.02883	6.8
91.05463	3.3
93.03370	1.2
95.04910	0.9
96.04498	1.4
97.02856	4.1
103.03907	3.3
105.06979	1.1
107.04877	1.1
109.02857	3.2
111.04412	1.6
114.05499	3.3
117.65173	0.7
119.04913	10.8
121.02829	36.7
123.04414	3.6
127.03886	4.1
128.75473	0.8
131.04912	1.1
135.04369	1.7
138.09149	0.7
139.03905	5.5
145.02829	5.4
147.04358	2.9
149.02290	0.6
159.04337	1.8
161.02298	1.0
161.05981	1.0
163.03836	2.8
163.84442	0.7
167.03381	0.8
175.03860	1.8
176.00995	1.2
177.01805	1.7
177.05389	3.3
179.03345	4.7
179.60475	0.7
187.03951	1.3
189.01793	8.2
189.05351	0.9
191.03389	7.6
193.04813	0.8
195.02855	9.0
199.03845	1.1
201.01704	1.2
201.05440	4.0
203.03355	11.2
205.04808	1.3
207.02814	12.4
209.04436	1.6
211.03894	1.0
213.05351	1.2
215.03328	3.9
217.04889	6.6
219.02870	7.6
219.06427	0.8
221.04337	5.2
225.03786	0.9
227.03378	3.1
229.04942	6.5
231.02980	0.9
233.04420	4.5
239.03413	1.1
241.05025	1.3
243.02866	1.4
243.06377	3.0
245.04382	2.8
255.02895	1.7
257.04388	4.7
261.03693	1.1
267.06500	1.3
268.07242	5.7
271.06021	1.7
273.03799	1.5
279.06546	6.5
280.07196	2.9
281.04370	0.8
281.08093	7.1
282.05109	1.1
283.05936	15.3
284.06699	3.4
285.03812	3.4
291.06531	1.2
293.07977	3.3
294.05167	23.1
294.08606	1.2
295.05951	87.8
296.06647	8.2
297.07513	11.7
298.08221	0.9
305.08063	1.0
307.05939	53.3
307.09274	2.5
308.06693	18.2
309.07471	16.1
313.07010	11.6
317.07907	1.7
319.06036	8.1
319.09430	1.4
320.06546	3.5
321.07510	31.0
322.04776	1.1
322.08286	13.8
323.05429	4.2
323.09033	5.3
325.06976	100.0
329.07861	1.2
333.07520	8.1
334.08325	1.0
335.05313	1.9
335.09000	16.9
336.06229	4.5
336.09891	1.3
337.06979	60.3
339.08527	1.4
345.07413	4.6
346.08228	1.6
347.09146	11.4
349.06943	30.0
349.10870	1.6
351.08603	18.9
355.08035	13.3
357.07657	1.7
359.09195	1.0
361.06866	16.5
361.10657	1.8
363.08447	6.9
365.10226	14.3
367.08130	5.7
373.06894	6.0
375.08551	12.1
377.06216	1.3
379.07999	43.4
385.06711	1.1
387.08246	1.2
389.10165	4.0
391.08041	26.3
393.09378	1.4
397.09238	1.7
401.10376	2.6
403.07947	19.2
409.09067	30.8
413.09955	1.1
415.08652	1.7
417.09491	1.1
421.09061	18.4
427.10281	21.5
433.10330	4.0
439.10049	15.9
445.10202	5.0
457.11234	56.6
463.10336	3.2
469.08496	0.9
475.12299	12.6
481.11142	15.8
487.10196	1.6
499.12271	11.8
505.11160	4.1
511.12228	14.2
523.12177	16.0
529.13251	7.9
541.13202	16.9
559.07434	0.8
559.14514	16.8
577.15479	9.9
595.16125	1.7
617.83521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.63527	0.1
53.03928	0.3
53.57354	0.1
54.81988	0.1
55.01859	0.3
55.05497	0.1
57.03426	2.1
59.04974	0.1
61.02915	0.8
64.33910	0.1
66.66824	0.1
68.99783	0.4
69.03415	1.6
71.01360	0.1
71.04973	10.3
73.02891	0.4
75.04455	0.4
76.56513	0.1
78.40912	0.1
81.03378	0.7
83.04959	0.4
83.82801	0.1
85.02887	14.1
87.04441	0.5
93.19676	0.1
97.02857	1.6
99.04406	0.2
105.03383	0.4
107.04936	0.1
109.02833	0.6
111.00781	0.8
111.04440	0.3
121.02837	2.6
127.03894	0.7
129.05446	1.7
133.02818	0.6
137.02324	0.8
145.04930	0.5
145.06468	0.1
147.04407	0.6
147.06506	0.4
153.01801	3.5
157.06470	0.4
165.01781	1.7
171.04382	0.1
183.02811	0.9
185.05913	0.4
189.05455	0.1
203.07031	0.1
203.84248	0.1
212.25232	0.1
213.05397	1.6
231.06425	1.0
240.00386	0.1
241.04855	0.9
253.83813	0.1
256.71835	0.1
258.05182	1.3
259.05945	0.4
269.04327	0.2
287.05432	100.0
288.05765	1.1
329.06607	0.1
423.34238	0.1
449.10519	0.6
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	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01866	2.0
56.35770	0.8
57.03427	5.0
57.20396	0.8
59.52169	0.8
61.02917	2.3
62.37992	0.8
69.03412	1.5
73.02895	1.6
81.03404	1.1
81.17668	0.9
82.13270	1.0
85.02888	8.1
91.05411	1.1
93.03425	1.2
96.04465	0.9
97.02863	3.7
103.03893	1.3
107.04948	2.0
109.02840	2.1
114.05505	4.0
119.04904	9.6
121.02833	42.9
123.04395	4.9
123.09735	0.9
127.03889	4.2
131.04869	1.5
139.03918	3.9
145.02859	4.7
147.04437	1.7
147.33243	0.9
151.03928	1.1
159.04356	1.5
163.03850	2.1
175.03995	1.2
177.05411	2.0
179.03407	4.4
181.04918	1.2
185.05937	1.2
187.03915	2.0
189.01828	11.1
189.05592	1.4
191.03377	7.1
194.02090	1.5
195.02885	10.5
197.04414	1.3
201.05315	3.0
203.03384	15.1
205.04941	2.2
207.02875	11.9
215.03355	2.0
217.04886	5.0
219.02843	12.8
221.04451	4.3
227.03384	1.6
228.04028	1.4
229.04996	6.0
231.02969	2.2
233.04330	4.7
239.03439	2.0
243.02783	2.3
245.04359	2.1
255.02774	1.4
257.04315	3.6
261.03903	1.9
267.06592	4.8
268.07260	5.8
271.05963	1.8
279.06482	6.8
280.07230	1.3
281.05029	1.1
281.07999	9.0
283.05957	14.0
284.06683	2.0
285.03802	1.3
291.06302	1.4
292.07248	1.3
293.08002	4.9
294.05182	25.0
295.05942	97.4
296.06738	8.2
297.07498	10.4
299.05569	1.2
304.59064	1.0
307.05942	63.2
307.09500	2.1
308.06702	19.1
309.07510	19.6
313.07117	10.8
317.08063	2.0
318.08713	1.8
319.06070	9.0
319.09256	1.5
320.06879	7.0
321.07520	30.6
322.04568	1.6
322.08151	13.7
323.05554	2.1
323.09213	5.6
325.06995	100.0
329.08035	1.0
333.07510	9.0
335.05524	1.7
335.09094	17.9
336.06171	2.2
337.06989	63.4
337.10422	2.5
339.08835	1.6
345.07712	1.4
346.08310	1.5
347.09106	13.1
349.07007	35.9
349.10925	1.8
350.07730	1.4
351.08490	23.3
355.07928	14.1
357.07321	1.8
361.06931	17.0
361.10837	2.8
363.08707	7.1
365.10120	11.9
367.08109	4.7
373.06870	5.9
374.07370	1.0
375.08600	12.3
377.05994	1.3
377.10297	1.2
379.08035	42.2
385.07010	1.8
387.08380	2.0
389.10144	4.1
391.07986	26.7
401.10040	2.3
403.08014	19.7
405.94775	1.1
409.09061	28.8
415.08426	2.1
417.09570	2.0
421.09048	16.3
427.10168	22.4
433.10422	2.0
439.10080	18.0
445.09622	4.0
457.11206	65.1
463.10168	2.3
469.09613	1.3
475.12222	13.9
481.11182	16.9
487.10278	1.2
493.11102	1.3
499.12228	14.1
505.11774	2.0
511.12259	15.1
523.12115	14.7
526.02332	1.0
529.13196	9.4
541.13202	16.1
559.14276	17.9
577.15625	10.3
595.16248	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
55.01862	0.7
57.03428	1.1
57.94230	0.6
62.96224	0.8
62.96602	0.6
71.04974	1.5
73.48483	0.6
79.01830	1.0
85.02888	4.6
92.19810	0.6
109.02840	1.2
135.04416	2.9
137.02315	14.9
161.02254	1.3
163.03922	1.0
165.01831	1.6
183.02753	0.8
187.03978	0.8
189.05486	0.9
195.02905	0.9
217.04874	5.0
229.04887	4.0
233.04454	1.0
243.02893	3.0
244.07098	1.0
259.06021	4.4
261.03818	3.0
271.06030	3.5
272.06738	5.6
287.05447	9.0
296.06760	1.0
299.05447	67.6
300.06216	38.8
301.06955	4.0
311.05469	16.0
313.07025	18.0
323.05548	1.1
324.06396	2.7
325.07162	4.9
327.04962	3.5
329.06503	100.0
339.04904	3.0
339.08554	16.9
340.16650	0.8
341.06500	6.8
353.06464	24.5
359.07507	7.8
365.06393	1.0
367.07907	6.7
371.07443	1.3
383.07547	12.5
395.07651	10.9
413.08655	22.0
431.09613	23.0
449.10706	90.1
595.16522	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	595.1655
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
52.53051	0.1
53.03928	0.1
55.05488	0.2
56.30233	0.1
57.03427	1.3
61.02914	1.4
67.01856	0.2
68.99774	0.4
69.03407	0.2
70.06434	0.1
70.85611	0.1
71.04972	6.8
73.02895	0.5
73.50897	0.1
75.04462	0.1
80.22536	0.1
83.04964	0.2
84.89841	0.1
85.02886	6.5
91.03919	0.5
92.09378	0.1
97.02868	0.8
107.04934	0.4
109.02867	0.2
111.00769	0.4
111.04408	0.5
121.02836	1.4
127.03922	0.2
129.05444	0.9
133.02832	0.2
135.04381	0.8
137.02332	0.8
147.04353	0.1
147.06485	0.2
147.10233	0.1
153.01796	4.2
157.06503	0.2
158.07799	0.1
161.02274	0.2
165.01805	1.2
171.02890	0.1
179.03381	0.2
183.02831	0.5
185.06010	0.2
213.05450	1.0
231.06436	0.4
241.04973	0.7
258.05124	0.7
259.05991	0.4
269.04385	0.2
287.05429	100.0
288.05627	0.9
294.75644	0.1
329.06500	0.1
378.46964	0.1
449.10632	0.2
553.63098	0.1
595.16376	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03104	0.5
54.81761	0.6
55.01858	2.4
55.24530	0.5
62.86713	0.5
65.03920	0.9
67.79044	0.5
68.99773	7.0
69.03401	0.8
81.03394	3.1
84.04504	0.7
85.02900	1.3
91.05468	0.6
95.04948	0.7
95.78357	0.5
97.02843	0.8
99.04410	2.5
103.04807	0.5
105.03362	1.3
107.04944	1.0
109.02886	5.4
111.00791	8.3
111.04414	2.0
119.04969	2.1
121.02834	1.1
123.04419	32.3
127.03899	100.0
128.04277	0.6
129.07004	0.8
133.02831	2.3
135.04381	8.6
136.78493	0.6
137.02238	0.9
139.03889	73.9
143.04881	0.7
145.06444	0.6
147.04398	15.8
147.05595	0.7
149.02304	4.5
149.05930	0.7
151.03889	29.8
153.01753	0.6
155.03419	0.9
155.04909	0.8
157.06508	1.1
159.04385	1.0
161.05946	3.4
163.03885	14.3
165.05420	4.4
167.03400	6.6
171.04390	1.4
173.05972	1.0
175.03891	17.2
177.05405	5.2
178.03204	0.8
179.03369	27.4
183.04329	0.9
185.05940	2.4
187.03839	2.6
189.05466	3.9
191.01701	1.1
191.03369	14.5
191.06949	0.6
193.04912	5.4
197.05956	1.4
199.03865	2.5
201.05447	5.3
203.03371	22.3
203.06955	0.8
205.04868	1.6
207.06549	1.2
211.03810	0.8
213.05394	4.6
215.03394	0.9
215.06961	0.6
217.04959	5.1
219.06412	1.0
229.04890	6.3
231.06494	3.9
233.04465	5.6
241.04964	2.5
243.06512	1.3
245.04414	9.6
247.05978	6.5
251.05339	1.0
257.04428	13.6
258.05109	0.7
259.05920	4.5
263.05469	4.5
269.04367	3.2
271.06030	4.7
275.05469	11.2
283.05951	0.8
287.05463	32.7
289.07047	1.3
291.08594	7.5
299.05466	10.5
301.06921	1.3
305.06561	6.6
307.08109	0.8
317.06473	5.4
333.63501	0.6
409.09088	7.4
425.08545	8.4
427.09924	3.7
443.09570	4.1
610.44940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
54.48780	0.4
55.01867	2.1
55.87866	0.4
65.03921	0.5
67.05480	0.7
68.99773	6.9
71.28490	0.5
73.66398	0.4
81.03376	3.7
81.72308	0.6
85.02862	0.5
91.05473	0.6
92.08562	0.5
93.03393	0.6
94.01775	0.5
95.04958	2.1
99.04410	1.1
102.72728	0.6
105.03370	1.0
109.02853	5.3
111.00780	7.0
111.04382	0.7
119.04912	2.3
121.02848	1.9
123.04406	30.2
127.03892	100.0
133.02824	2.2
135.04407	3.1
139.03882	58.7
147.04390	13.3
149.02298	2.7
149.05942	0.6
151.03880	28.4
159.04451	1.0
161.05939	3.0
163.03889	5.6
165.05435	4.8
167.03384	4.6
173.05942	2.3
175.03885	20.0
177.05444	5.1
179.03358	26.8
183.04431	0.8
185.05984	1.2
187.03944	0.9
189.05373	3.9
191.03333	9.3
193.04977	5.3
199.03905	1.1
201.05403	4.0
203.03348	24.1
205.04958	0.8
207.06581	0.6
213.05415	5.7
215.03444	0.8
217.04921	5.5
219.06618	0.8
221.04636	0.7
225.05284	0.7
229.04906	5.2
231.06468	3.3
233.04407	5.0
241.04807	3.4
245.04427	7.2
247.05939	1.0
251.05437	2.4
257.04388	10.4
259.05875	3.5
263.05499	4.4
269.04294	3.6
271.06024	2.4
273.07260	0.6
275.05441	11.6
287.05447	31.9
291.08569	9.6
299.05414	7.8
303.08749	0.6
305.06519	7.9
317.06509	5.7
379.07742	0.5
409.08948	3.0
425.08615	7.1
427.10101	3.7
443.09552	3.2
454.53964	0.5
458.01834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01860	2.8
65.03924	0.9
68.99783	8.3
69.03388	0.9
71.15749	0.5
79.05463	0.7
81.03379	1.5
81.06993	0.8
83.04968	0.7
83.22798	0.6
91.05437	0.8
95.04946	2.5
99.04424	1.1
105.03405	1.1
107.04909	2.6
109.02881	5.4
111.00780	8.9
111.04418	4.0
119.04916	3.0
121.02843	1.0
122.54570	0.7
123.04398	37.2
123.05292	1.4
127.03888	100.0
131.04878	1.0
133.02792	1.4
135.04395	11.4
137.02332	0.9
137.05946	0.7
139.03877	93.1
141.06970	0.8
143.04893	0.8
147.04391	17.2
149.02328	3.3
151.03870	31.5
153.01765	1.1
155.03410	0.8
157.06404	1.1
159.04387	3.3
161.05913	4.6
163.03856	19.2
165.05470	7.0
167.03360	9.4
171.04347	1.4
173.05936	1.4
175.03880	16.8
177.05405	8.0
179.03355	28.9
181.04883	1.2
183.04370	0.8
185.05945	2.5
187.03851	4.0
189.05444	6.8
191.03342	17.7
193.04884	7.3
197.05913	2.9
199.03867	1.3
201.05472	8.4
203.03352	23.5
203.07117	1.3
205.04916	3.9
213.05383	6.3
215.03456	1.1
215.06984	1.4
217.04900	6.4
219.06500	1.1
225.05521	1.0
229.04877	9.8
231.06419	3.5
233.04353	8.9
241.04869	4.6
243.06473	1.4
245.04364	13.8
247.05971	7.1
251.05396	1.0
257.04382	19.7
258.05161	0.9
259.05884	5.3
263.05441	8.5
269.04379	5.0
271.05890	5.7
275.05453	17.0
287.05429	34.1
289.06998	3.3
291.08517	8.5
299.05389	13.8
301.06900	1.2
303.08701	0.9
305.06546	6.3
317.06464	11.3
409.09256	6.7
425.08572	10.3
427.10135	2.7
443.09573	7.9
451.10034	0.9
453.75394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.6
54.81781	1.0
55.01841	1.2
55.05503	8.5
56.96547	1.0
57.03427	4.3
61.02907	5.1
67.05492	20.6
69.03410	17.9
69.07050	6.4
71.04964	1.4
73.02907	2.1
79.05478	16.5
81.03385	6.1
81.07039	100.0
83.08607	2.4
85.02892	65.9
91.03932	5.1
91.05457	14.9
92.09148	2.2
93.07020	30.0
94.07328	1.5
95.04942	7.4
95.08587	66.8
97.02862	17.1
97.06511	6.5
97.10126	4.9
99.04426	5.0
105.07016	49.2
105.07540	1.0
106.07383	1.5
107.08582	28.2
109.02872	6.0
109.06491	6.3
109.10148	22.0
111.08091	4.4
117.06971	1.7
119.08566	43.7
121.06463	2.5
121.10110	14.7
123.08039	6.4
123.11697	16.3
125.09619	7.7
127.03908	13.3
131.08565	6.0
133.10117	35.7
135.08022	2.5
135.11679	15.3
143.08543	6.3
145.04927	8.8
145.10039	2.0
147.04474	1.4
147.11647	16.8
149.13220	4.5
153.09062	2.6
157.10117	12.5
159.11649	17.3
161.09586	2.6
161.13231	87.0
163.05989	5.3
171.11725	1.2
173.09531	1.1
173.13214	1.4
175.11115	4.6
175.14813	1.9
179.14285	23.8
189.12717	5.4
189.16356	70.9
199.14781	13.3
199.17834	1.2
207.17412	13.5
217.15851	34.6
235.16888	84.2
253.17909	11.8
307.15100	2.3
309.16672	5.9
311.57010	1.2
379.21085	1.6
383.29922	1.2
397.22195	10.1
415.23114	5.9
432.39850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.1
53.03925	0.9
54.81544	0.7
55.01866	1.4
57.03426	0.9
65.03931	1.1
67.05505	0.9
68.99773	7.9
76.56229	0.7
79.05489	0.9
79.61069	0.7
81.03384	3.6
85.02892	3.8
89.00657	0.8
91.05451	1.4
93.03316	0.9
95.04949	3.0
97.02840	0.9
99.04437	1.0
105.03399	0.8
107.04931	3.2
108.31546	0.7
109.02860	3.5
111.00783	7.1
111.04431	1.8
115.09986	0.9
117.07061	0.7
118.89555	0.8
119.04966	5.4
119.25085	0.7
121.02834	1.6
123.04401	61.5
127.03887	100.0
131.04950	1.5
133.02811	1.4
135.04387	21.0
137.02315	4.2
137.05927	0.9
139.03874	82.1
141.06935	0.9
143.04849	1.1
147.04401	17.8
148.53688	0.8
149.02292	4.6
149.05945	3.1
151.03868	25.7
153.05429	1.0
157.06433	1.8
159.04408	4.8
161.05937	7.3
163.03860	26.7
165.05476	5.3
167.03331	4.1
169.06387	1.0
171.04393	1.7
173.05981	3.2
173.09390	0.8
175.03877	18.6
177.05400	6.9
179.03358	33.1
179.06882	0.8
181.04907	3.2
185.05939	1.2
187.03882	4.4
189.05449	5.0
191.03352	11.6
193.04938	7.4
197.05952	1.5
199.03905	1.2
201.05437	5.2
203.03360	24.6
205.04942	1.3
207.06503	1.4
213.05460	7.6
215.03290	1.2
217.04977	6.8
219.06458	1.2
229.04932	9.5
231.06433	5.6
233.04420	1.5
237.05653	0.9
241.04916	3.7
243.06467	1.9
245.04376	16.8
247.05975	4.9
253.04961	1.0
255.06584	1.2
257.04407	20.2
258.05200	1.9
259.05991	4.6
263.05551	3.1
269.04370	6.0
271.05948	9.0
275.05426	10.4
283.05994	6.1
287.05429	43.4
289.07065	3.8
291.08588	5.1
299.05392	12.0
301.07040	1.6
305.06406	4.8
311.05450	1.0
313.07001	1.1
317.06485	4.5
329.06522	1.4
391.08130	0.9
409.09079	11.0
425.08597	8.6
427.10193	4.2
433.09317	0.9
443.09741	1.7
449.10486	1.3
451.10013	3.8
462.45682	0.9
595.14716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.82179	1.0
55.01865	1.4
55.05507	11.8
57.03423	6.4
57.07061	5.2
61.02911	6.6
65.03938	0.8
67.05490	14.1
67.52628	0.8
69.03421	19.6
69.07056	18.5
71.04977	4.5
73.02906	4.2
78.33105	1.0
78.73470	0.9
79.05471	14.4
81.03407	6.8
81.07037	54.8
81.33485	1.0
83.04959	1.4
83.08598	6.6
84.07388	1.1
85.02888	82.3
87.04451	1.1
91.03957	2.2
91.05463	16.9
93.07021	54.0
95.04958	4.8
95.08582	68.4
97.02879	22.5
97.06499	4.0
97.10132	2.2
99.04409	1.6
100.11265	1.2
101.00598	1.2
101.02395	1.1
105.07012	50.3
107.08577	70.6
109.02888	7.7
109.06506	6.4
109.10146	29.2
111.04511	1.1
111.08054	4.5
111.11700	4.8
112.74583	1.0
116.98653	1.4
119.08555	60.9
121.06494	2.2
121.10111	22.6
123.08065	2.5
123.11702	5.2
125.05979	5.6
125.09650	1.6
127.03882	13.9
131.08542	5.8
133.10106	63.3
135.07985	1.3
135.11668	43.7
137.06018	2.3
137.09616	1.6
139.07536	4.6
143.08537	4.4
145.04970	10.9
145.10068	7.9
147.08023	2.2
147.11665	45.9
149.13243	2.4
151.11110	1.4
153.09088	1.7
156.13852	1.4
157.10117	4.9
159.11621	4.5
161.09595	8.3
161.13216	14.6
163.05943	2.3
165.09085	2.1
173.13222	8.6
175.11230	2.5
175.14738	8.5
179.10620	11.3
189.16350	100.0
193.12213	1.3
199.14810	9.0
217.15848	31.2
235.16875	35.6
379.21097	6.9
593.32837	1.6
594.32983	1.2
594.45325	4.1
620.86462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.9
61.57835	0.4
67.05463	0.5
71.04990	0.6
81.07044	0.8
82.67422	0.4
91.05463	1.9
93.07036	0.5
95.01083	0.6
97.06577	0.5
98.97599	0.7
100.11169	0.4
105.07038	0.8
107.08564	0.4
119.08597	0.5
124.70710	0.4
133.10211	0.4
134.99649	0.8
136.98767	0.4
148.25813	0.5
164.78406	0.4
172.38293	0.5
219.09872	2.3
233.38853	0.5
234.12459	0.6
273.14554	1.0
282.54871	0.5
291.15631	100.0
292.15891	0.9
325.16281	5.5
364.25674	0.5
454.81021	0.5
552.70178	0.5
593.32391	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.03941	1.2
55.05507	2.0
57.07073	1.2
61.98465	0.8
65.08955	0.9
67.05492	4.7
69.07063	2.4
71.04979	1.6
79.05486	6.1
81.07037	8.8
91.05492	4.1
93.07034	16.6
94.07354	1.5
95.04955	1.6
95.08609	6.2
102.82921	1.0
105.07028	6.6
107.08601	10.1
108.08936	1.6
109.06509	1.5
109.10164	4.2
117.07027	1.7
119.08584	4.2
121.10172	4.3
123.11687	1.3
125.68916	0.9
127.13002	0.9
131.08609	1.7
133.10120	2.0
135.11684	6.3
145.10107	4.1
147.11678	1.7
159.11694	1.9
168.91679	1.1
212.14024	1.1
276.89127	1.0
331.81244	1.2
403.19211	2.0
417.21338	1.8
419.22147	4.9
421.88788	1.4
431.17938	10.3
432.19055	1.6
433.24106	9.2
434.24509	1.5
445.19598	9.6
446.21259	4.7
447.21936	5.8
459.21524	2.0
460.22678	11.1
461.23340	10.6
473.24155	1.2
505.22672	6.1
533.25500	24.5
534.25830	1.6
593.27521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93854	0.4
55.01847	0.4
55.05527	0.4
55.81534	0.4
57.07067	0.5
57.92640	0.3
60.00012	0.3
67.05486	2.0
69.07054	1.0
69.32963	0.3
71.04987	0.5
76.19604	0.4
79.05483	1.9
81.07030	3.6
91.05460	1.6
93.07015	6.2
95.04957	0.8
95.08592	2.5
102.12823	0.9
105.07026	2.9
107.08578	3.5
108.00606	0.4
109.06503	0.7
109.10145	0.9
116.24857	0.4
119.08595	2.0
121.10123	1.5
123.11683	0.5
131.08556	0.8
133.10130	2.0
135.11642	3.3
136.12029	0.5
145.10107	0.4
149.09622	0.6
151.11211	0.5
175.14941	0.5
300.15421	0.5
316.92496	0.4
389.17761	1.7
401.17715	0.5
402.18558	1.6
403.19220	4.1
404.19861	0.7
405.20483	1.4
416.20261	0.8
417.16074	0.9
417.21170	6.0
418.21515	2.3
419.22281	4.2
431.18033	10.5
432.19412	2.8
433.23914	9.7
434.24768	0.7
441.26395	0.5
445.19852	11.3
446.20706	5.2
447.21677	6.2
459.21436	3.4
460.22549	14.3
461.23181	14.1
473.23700	3.0
476.25931	1.8
477.22617	0.7
487.24921	0.7
491.24564	0.5
492.25027	0.9
505.21945	3.9
511.33777	0.5
518.23358	0.9
519.23737	0.6
533.25366	53.6
534.25549	0.7
564.23511	0.7
593.27496	100.0
594.27954	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	593.15
Annotation	6-Hydroxyapigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03408	0.6
60.25423	0.5
68.99777	8.8
69.03402	2.5
81.03391	3.6
81.22047	0.6
83.04963	1.0
85.02877	5.8
85.06454	0.7
90.42019	0.6
95.04945	0.9
97.02887	1.3
98.97569	1.5
109.02853	6.3
111.00790	11.8
111.04407	1.0
116.98615	0.8
123.04391	14.1
126.11398	0.6
127.03891	100.0
130.33658	0.6
131.04910	0.6
131.28699	0.6
133.02835	1.3
135.04373	3.1
137.06955	0.6
139.03880	37.8
147.04376	5.6
149.02310	2.8
150.03096	0.8
151.03876	30.9
153.05438	0.8
155.03381	4.3
158.99635	1.2
160.07469	0.5
163.03879	3.0
167.03386	0.7
171.04379	1.5
173.83401	0.8
175.03873	13.4
177.00706	2.7
177.05417	14.8
179.03366	45.0
183.04282	0.6
189.05467	1.2
191.03409	2.5
193.04868	1.0
193.95125	0.6
199.03850	3.8
200.75076	0.7
201.05389	1.0
203.03368	17.1
213.05424	3.8
217.04913	4.9
219.06497	1.3
221.04410	1.5
229.04964	1.1
231.06517	0.8
237.02785	0.7
241.04912	3.6
245.04404	18.6
247.06165	0.8
257.04227	0.7
259.05994	2.6
263.05457	16.7
269.04321	2.5
275.05472	5.7
277.06821	1.3
287.05447	38.1
287.10495	1.1
305.06470	18.0
329.11993	6.4
413.08133	1.6
431.09671	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	592.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27416	0.5
55.01865	3.1
65.03872	0.7
67.05485	0.5
69.46458	0.5
74.84929	0.5
79.05470	3.8
81.07027	0.8
89.11408	0.6
91.05470	15.9
93.07030	1.0
94.04155	0.9
95.04950	4.0
103.05438	8.6
105.03416	0.8
105.07014	11.8
107.04948	17.3
111.04430	2.5
115.05419	2.4
117.07000	0.7
119.04929	16.1
121.06478	7.6
122.03624	3.3
125.05968	2.6
128.06232	1.0
129.06953	5.3
130.04156	0.6
131.04919	11.0
131.08575	1.2
132.05693	1.1
133.02844	6.3
133.06480	11.7
135.04401	1.3
135.08063	3.6
136.05206	0.7
137.05959	60.3
145.06464	3.2
146.03648	0.7
146.07289	5.3
147.04401	9.0
147.08009	0.9
148.05179	3.9
149.05951	7.8
150.06763	1.0
151.03931	1.0
151.07513	18.0
153.05389	2.3
157.06511	2.5
158.07251	1.1
159.08049	1.1
161.05952	100.0
161.09586	21.1
162.06763	4.4
163.07501	15.9
165.05469	1.2
165.06969	1.4
165.09108	4.0
167.07085	0.7
167.08438	0.8
174.06760	4.5
175.07507	13.2
177.05431	1.1
177.09090	2.8
179.06993	1.4
179.08430	0.7
181.06425	0.9
181.08539	1.4
185.05916	0.8
187.07481	0.8
189.09073	46.0
191.07057	2.5
193.06566	1.2
193.08585	1.1
195.08165	1.0
195.10098	0.9
201.09041	0.8
205.06523	0.9
206.07422	0.7
207.08318	1.6
207.10135	42.2
210.06729	0.9
213.09135	1.2
219.07973	3.0
219.10089	3.4
221.05965	1.3
221.09464	0.8
224.08293	0.7
225.09033	2.5
227.07088	1.1
233.09691	0.9
235.07481	1.5
236.08240	0.9
237.09100	2.6
241.08598	1.1
247.07426	1.1
249.09131	2.8
251.06938	1.1
251.10620	2.7
253.08469	3.4
255.10016	0.8
261.09131	0.8
264.07788	0.9
265.08603	3.2
267.10086	2.4
269.11633	1.1
270.08813	0.7
273.11169	1.1
277.08646	1.2
279.10110	2.5
281.08307	0.8
281.11728	2.4
283.09689	1.5
285.11133	3.0
293.11758	0.9
295.09717	1.2
297.11261	6.1
297.74231	0.6
299.12714	0.9
307.09644	1.1
309.11185	3.6
310.12012	1.2
311.12659	4.9
313.10919	0.7
313.14371	1.3
321.11185	0.8
322.12018	0.7
323.12866	2.3
327.12192	4.5
328.13083	0.9
329.13846	9.0
337.14294	4.7
340.13123	1.3
341.13736	3.7
349.14227	0.8
355.15271	10.6
367.15366	3.7
371.14841	2.3
385.16238	0.9
461.19434	1.3
473.19595	0.7
479.20471	3.1
491.20648	1.3
592.20599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01865	13.9
55.05507	31.1
55.84716	1.9
56.96548	2.1
57.03437	21.7
57.07072	10.2
59.04993	61.2
61.02914	3.7
65.03943	2.7
65.55695	2.1
67.05505	25.9
67.29694	2.1
68.22559	1.8
69.03417	23.0
69.07057	28.1
71.01360	2.0
71.04977	24.6
73.02905	24.2
75.04475	20.2
79.05469	30.4
81.03422	3.2
81.07040	66.8
83.04985	17.0
83.08612	11.1
85.02895	34.6
85.06537	20.3
91.05450	33.3
93.07027	68.8
95.04931	24.4
95.08588	69.8
97.02869	25.7
97.06518	14.4
97.10130	3.2
99.04436	10.3
105.07012	51.3
107.08572	67.1
109.02888	3.6
109.06508	12.9
109.10146	36.4
111.04404	3.7
111.08092	4.7
113.09637	17.4
115.03928	12.4
117.07011	11.2
119.08561	48.3
121.06503	3.2
121.10128	65.2
123.08095	9.3
123.11684	21.7
125.06016	3.4
125.09606	9.1
127.03886	5.0
131.08546	24.3
133.04936	3.6
133.10107	100.0
133.77307	2.2
134.27432	1.8
135.11687	56.9
137.09550	7.9
139.11140	3.6
142.07701	2.8
143.08482	4.0
145.04950	5.2
145.06346	2.1
145.10120	34.7
146.45634	2.1
147.11687	39.0
149.09586	2.7
149.13268	11.5
151.11185	4.3
157.10109	5.0
158.10904	4.7
159.08012	2.2
159.10313	4.0
159.11667	39.8
161.13196	15.2
163.11180	2.4
171.11551	2.6
172.02069	2.3
173.09528	2.4
173.13219	56.9
175.14854	11.8
177.16350	2.4
185.13185	2.5
187.14764	32.1
191.14401	2.8
201.16432	15.6
203.17934	30.7
215.17995	2.9
217.15738	2.3
243.21057	36.5
247.13228	2.8
261.22110	97.4
261.24844	4.4
269.03598	2.0
279.23215	25.7
304.21234	23.9
514.36328	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	589.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81365	1.0
55.05501	4.9
56.96554	35.7
67.05486	2.8
71.04967	2.4
74.97617	1.2
79.05457	5.6
81.07030	8.0
82.32515	1.2
83.04965	2.2
83.10190	1.2
85.06513	1.6
91.05457	6.7
93.07003	9.4
94.42751	1.3
95.04931	5.0
95.08561	2.6
97.06508	1.9
98.97556	39.7
103.05448	1.5
105.07023	6.6
106.07368	1.4
107.04903	1.1
107.08591	7.1
109.06452	1.2
109.10155	2.1
115.00668	6.3
116.98589	32.6
119.08556	5.8
121.10126	4.6
131.04921	6.5
133.01697	4.8
133.10127	2.0
134.99638	21.0
141.02208	1.5
145.01712	1.7
145.10028	1.6
153.00722	5.6
159.03285	7.1
161.04848	1.3
175.06401	5.8
185.04848	4.4
187.06419	4.8
189.39912	1.3
193.07407	3.0
199.06418	1.9
201.08086	1.9
205.05400	1.2
205.07454	1.8
209.08412	9.2
211.06328	2.1
215.09506	6.7
219.54095	1.2
223.06410	2.9
225.07970	2.4
227.09512	99.7
229.07329	1.5
233.10577	1.8
237.08015	2.0
239.09488	1.4
241.07611	4.1
243.12758	2.0
245.10542	67.3
249.11487	2.8
253.11166	2.9
255.08864	4.5
263.09473	7.7
267.12576	8.6
269.10565	1.6
271.12082	6.8
277.14627	2.9
279.12546	3.0
281.10529	84.4
285.13657	1.6
291.12717	7.6
295.15781	16.8
299.11600	81.6
304.12021	2.2
307.11942	1.4
309.13660	6.6
313.16699	5.4
319.15726	41.7
323.11560	20.5
333.13684	3.0
337.16788	100.0
341.12610	12.6
351.14792	13.0
355.17822	7.8
369.15762	17.8
484.93555	1.3
492.27872	1.2
493.29630	1.8
501.28763	5.9
515.03479	1.5
540.29565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81365	1.0
55.05501	4.9
56.96554	35.7
67.05486	2.8
71.04967	2.4
74.97617	1.2
79.05457	5.6
81.07030	8.0
82.32515	1.2
83.04965	2.2
83.10190	1.2
85.06513	1.6
91.05457	6.7
93.07003	9.4
94.42751	1.3
95.04931	5.0
95.08561	2.6
97.06508	1.9
98.97556	39.7
103.05448	1.5
105.07023	6.6
106.07368	1.4
107.04903	1.1
107.08591	7.1
109.06452	1.2
109.10155	2.1
115.00668	6.3
116.98589	32.6
119.08556	5.8
121.10126	4.6
131.04921	6.5
133.01697	4.8
133.10127	2.0
134.99638	21.0
141.02208	1.5
145.01712	1.7
145.10028	1.6
153.00722	5.6
159.03285	7.1
161.04848	1.3
175.06401	5.8
185.04848	4.4
187.06419	4.8
189.39912	1.3
193.07407	3.0
199.06418	1.9
201.08086	1.9
205.05400	1.2
205.07454	1.8
209.08412	9.2
211.06328	2.1
215.09506	6.7
219.54095	1.2
223.06410	2.9
225.07970	2.4
227.09512	99.7
229.07329	1.5
233.10577	1.8
237.08015	2.0
239.09488	1.4
241.07611	4.1
243.12758	2.0
245.10542	67.3
249.11487	2.8
253.11166	2.9
255.08864	4.5
263.09473	7.7
267.12576	8.6
269.10565	1.6
271.12082	6.8
277.14627	2.9
279.12546	3.0
281.10529	84.4
285.13657	1.6
291.12717	7.6
295.15781	16.8
299.11600	81.6
304.12021	2.2
307.11942	1.4
309.13660	6.6
313.16699	5.4
319.15726	41.7
323.11560	20.5
333.13684	3.0
337.16788	100.0
341.12610	12.6
351.14792	13.0
355.17822	7.8
369.15762	17.8
484.93555	1.3
492.27872	1.2
493.29630	1.8
501.28763	5.9
515.03479	1.5
540.29565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81621	0.5
61.79070	0.5
79.05486	0.7
79.31139	0.6
79.73801	0.6
81.07064	1.1
85.06526	0.6
91.05466	1.4
91.39811	0.5
93.07044	0.7
95.08585	0.9
103.05503	0.7
105.07011	1.1
107.08587	0.9
109.06473	0.7
119.04942	0.9
137.05940	5.5
147.04427	3.5
149.05925	0.6
161.05984	8.6
162.06360	1.4
167.07021	1.0
167.34152	0.6
189.05167	15.2
190.05923	0.7
203.07057	3.5
221.08028	0.8
223.07593	0.7
233.08078	3.3
234.08420	0.6
251.06879	0.9
253.08464	0.7
267.10327	0.7
271.09531	0.8
283.09500	0.8
285.11362	1.1
319.16287	0.6
343.11600	1.0
411.14227	5.7
412.14447	0.8
421.00662	0.6
426.16299	5.7
427.17160	20.2
530.76489	0.8
589.22455	100.0
590.22845	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	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
57.03421	0.5
59.04980	0.3
67.05469	0.6
69.03409	0.6
71.05714	0.2
75.04436	0.4
77.03903	0.4
79.05056	0.3
79.05478	6.5
81.07029	0.3
85.02872	1.5
85.23894	0.3
91.05456	7.0
92.06246	0.4
93.06997	1.5
95.04951	2.0
97.02852	0.5
103.05452	7.9
104.06194	1.0
105.03365	1.0
105.07012	29.2
107.04926	4.4
107.08531	0.4
108.05695	1.4
108.12302	0.3
109.06519	2.5
113.05024	0.2
113.64141	0.2
114.36467	0.2
115.05450	1.7
117.06991	1.2
118.04144	8.8
119.04916	8.4
120.05695	1.5
121.06503	2.7
122.03595	0.5
122.07281	2.1
123.04453	1.7
123.08060	3.1
124.05198	2.5
125.05938	0.6
130.04099	0.4
131.04903	11.5
132.05670	1.2
133.02838	8.7
133.06468	32.0
134.07268	1.8
135.04372	2.1
135.08032	7.0
136.41170	0.3
137.05959	15.3
139.07484	0.4
146.03590	1.6
147.04390	6.9
147.08073	0.3
148.05147	2.1
149.05959	4.8
150.06741	21.2
151.07527	7.8
152.08310	0.6
153.05391	0.2
161.05952	4.4
162.06712	0.3
163.06380	0.3
163.07509	9.1
165.05515	2.0
165.09079	23.8
167.07002	16.0
177.05406	1.1
178.06189	3.0
179.06995	6.1
179.10645	0.3
181.08557	1.6
183.10139	0.4
191.07028	0.6
193.08571	88.1
195.10060	1.0
197.11681	0.5
211.09624	100.0
212.10027	0.5
213.11165	1.0
312.39032	0.3
313.07129	0.3
341.13727	1.3
361.16443	2.8
373.16006	0.4
533.77203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01849	0.8
57.03417	0.8
64.16400	0.4
67.05459	0.5
69.03400	0.4
71.04958	0.5
74.62735	0.5
75.35690	0.4
76.62234	0.4
79.05474	7.5
81.07018	0.6
85.02881	0.6
85.96789	0.4
91.05471	8.9
93.07005	0.7
95.04924	2.6
95.08620	0.4
97.06484	0.5
103.05453	6.6
104.06236	0.8
105.07014	30.1
107.04938	3.3
108.05687	0.9
109.06468	2.9
115.05413	1.0
117.06979	0.9
118.04141	10.1
119.04924	8.7
120.05746	0.9
121.06488	3.2
122.07275	1.6
123.04344	0.6
123.08047	4.5
123.84521	0.4
124.05190	2.7
125.05905	0.6
131.04893	6.0
132.05756	0.6
133.02773	0.6
133.06471	32.4
134.07239	1.9
135.04364	2.1
135.08032	7.0
137.05937	12.5
137.09572	0.6
141.59360	0.5
146.03596	1.8
147.04376	7.6
148.05135	2.3
149.05971	4.6
150.06738	19.7
151.07526	7.1
152.08278	0.9
153.05573	0.7
157.83818	0.4
161.05942	4.1
162.06708	0.4
163.07458	3.4
165.09082	24.2
167.07011	15.1
178.06186	3.2
179.07024	6.7
181.08525	0.6
187.11111	0.5
193.08571	92.7
194.08847	0.6
211.09627	100.0
230.78265	0.4
276.10226	0.5
341.13800	2.1
342.07520	0.5
374.41501	0.5
403.02655	0.5
435.29852	0.5
528.41132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90611	0.6
53.03930	0.9
55.01869	1.5
67.05473	0.8
69.03422	1.1
79.05470	4.6
81.07050	0.9
85.02882	5.3
91.05461	11.9
93.03401	1.8
93.07008	5.4
95.04958	3.2
97.02869	1.2
103.05447	11.1
103.79451	0.7
105.06995	7.5
106.04169	7.1
107.04944	20.0
107.97717	0.6
109.06554	0.8
111.04458	1.0
115.05452	2.9
117.06983	1.4
117.14040	0.7
118.94176	0.7
119.04980	2.7
121.06491	10.1
123.04425	1.5
125.05962	1.5
127.03886	0.7
128.06232	0.9
129.06985	6.5
131.04889	8.3
131.08566	2.9
131.26006	0.7
132.05701	1.7
133.02873	1.0
133.06465	1.8
133.10095	1.3
135.08046	5.8
137.05966	6.5
143.07301	0.8
145.06473	1.1
146.07256	4.5
148.05188	7.4
149.05960	12.7
151.03899	0.8
151.07556	4.0
153.05469	1.0
153.09071	3.1
157.06479	3.8
159.07945	0.9
160.05260	0.9
160.28421	0.8
161.05951	100.0
161.09567	24.5
161.10851	1.2
163.07497	22.0
163.08748	1.2
165.05486	1.5
166.06258	1.5
167.07007	32.1
167.08417	1.6
174.06773	4.0
175.07509	9.5
177.05473	7.1
177.09045	1.7
179.06978	2.9
180.07817	4.8
181.08571	15.1
189.09071	55.2
191.07008	7.6
192.07776	5.7
193.08611	4.1
197.09468	0.7
201.09015	1.0
207.10129	58.5
209.08058	11.3
217.04521	0.8
219.10106	4.9
223.07481	1.3
225.09186	0.9
240.07938	1.0
253.08557	1.8
265.01855	0.8
283.09723	1.2
283.13214	1.0
285.11182	2.9
315.12210	2.6
317.13831	2.9
329.13666	1.0
333.73184	0.8
341.13663	3.7
343.15411	6.5
361.16385	33.0
373.16388	4.6
441.70425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33705	0.5
53.03937	0.9
54.51014	0.6
55.01862	9.2
55.05503	4.5
57.03426	3.0
61.02917	1.1
67.05495	6.7
69.03414	10.9
69.07055	8.9
71.04974	4.8
71.42971	0.6
73.02873	0.8
79.05466	10.4
81.03394	3.9
81.07042	18.3
83.04987	1.6
85.02884	13.2
85.06526	11.2
91.05456	4.8
93.06482	1.4
93.07025	28.2
95.04954	5.9
95.08571	10.9
97.02896	5.7
97.06497	15.0
99.04436	14.1
105.07004	22.8
107.04955	1.8
107.08576	52.2
109.02847	1.5
109.06508	10.0
109.10146	1.8
111.08064	5.3
113.05974	6.5
117.07001	3.2
119.08572	10.0
121.06491	13.3
121.10121	33.8
123.08070	8.3
125.05997	1.7
127.03875	4.7
127.07501	1.0
131.08559	3.8
133.06508	0.8
133.10104	1.1
135.08011	3.4
135.11658	15.3
137.05956	1.3
137.09602	1.3
139.11163	4.6
143.08446	1.0
145.04944	1.3
145.10103	31.0
147.11649	3.8
149.09590	15.0
151.07533	8.3
157.08467	0.8
158.07224	0.8
161.05965	1.0
161.09595	2.9
163.11154	72.3
165.09071	0.9
167.10645	28.2
169.08569	64.9
173.09523	5.8
173.99586	0.9
181.04927	1.1
181.12206	17.7
185.11757	5.7
191.10645	36.4
209.11696	20.8
210.12529	0.8
227.12743	100.0
245.13765	19.3
259.60672	0.9
279.96286	0.8
371.17004	4.8
389.18011	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	586.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01857	11.1
55.05497	0.9
57.03421	1.4
61.02922	0.7
62.59540	0.5
67.05497	5.0
69.03415	6.7
69.07055	10.9
71.04976	3.8
79.05473	6.3
81.03396	0.7
81.07038	9.7
83.04964	0.7
85.02892	9.9
85.06538	7.8
91.05469	4.6
93.07021	15.0
95.04938	5.8
95.08588	10.0
97.02865	4.4
97.06504	12.8
99.04440	9.0
105.07020	10.6
107.04916	3.0
107.08576	43.9
109.02849	0.8
109.06499	8.6
109.10143	2.5
111.08064	3.2
113.05995	5.0
117.07032	0.7
119.08537	5.2
120.08888	0.6
121.06494	8.4
121.10121	15.4
123.08031	8.3
127.03901	2.4
127.07475	0.7
133.06444	0.7
135.04352	0.6
135.08018	2.2
135.11676	10.7
137.05977	0.7
137.09595	3.0
139.07541	0.7
139.11169	1.1
143.08603	0.8
145.04951	0.7
145.10109	13.4
147.11693	2.3
149.09595	7.9
151.07533	9.7
152.70364	0.6
153.12720	0.9
157.08562	0.8
161.09546	5.5
162.09914	2.5
163.11145	38.9
165.09071	2.6
167.10643	15.7
169.08566	100.0
173.09595	3.0
181.12201	17.5
185.11711	6.2
191.10637	13.6
207.10056	0.9
208.10472	0.7
209.11728	8.0
225.11185	1.0
227.12741	100.0
245.13815	12.3
257.31772	0.6
324.08347	0.6
353.15579	0.6
371.16864	0.8
389.18201	1.0
428.84839	0.6
535.81531	0.7
585.29230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01857	0.5
57.03426	0.3
61.02912	1.1
63.02361	0.1
65.03919	1.0
69.03416	1.9
71.04965	0.2
73.02899	0.3
81.03403	0.8
85.02885	7.2
87.04478	0.2
91.05456	100.0
92.05787	0.7
92.08633	0.1
93.07017	0.1
97.02863	2.3
97.03419	0.2
99.04426	0.4
107.08557	0.2
109.02885	0.5
121.10098	0.1
127.03880	1.0
137.02318	0.7
137.06047	0.1
138.63496	0.1
145.04903	1.4
149.02356	0.1
151.11217	0.3
167.03397	0.7
167.14311	0.1
195.42821	0.1
203.03297	0.1
209.15414	0.3
219.23491	0.1
227.07097	0.1
235.09555	0.1
239.07050	0.1
245.04367	0.2
245.08026	5.7
251.94563	0.1
257.08054	0.2
269.08096	0.5
284.14069	0.1
311.09271	0.2
323.09067	0.2
335.09045	0.2
353.10278	0.4
389.12137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16700	0.1
53.03944	0.1
55.01869	0.2
55.05510	0.2
57.03430	0.9
61.02924	1.1
65.03924	1.1
65.39613	0.1
69.03421	1.8
71.04989	0.2
73.02914	0.2
73.95206	0.1
76.67258	0.1
79.05468	0.1
81.03394	0.7
81.07050	0.2
83.04978	0.2
83.95629	0.1
85.02896	9.1
87.04436	0.3
91.05466	100.0
91.92167	0.1
92.05799	0.2
93.07028	0.2
95.04955	0.2
95.08599	0.3
96.04203	0.1
96.12965	0.1
97.02872	2.5
98.97513	0.2
99.04432	0.3
99.08067	0.2
105.07101	0.1
107.04989	0.1
107.08601	0.1
109.02872	0.7
119.08599	0.2
121.06483	0.2
121.10133	0.1
127.03882	1.6
133.10127	0.2
137.02338	0.5
137.05969	0.7
145.04941	1.8
147.04391	0.2
149.02356	0.2
159.08069	0.2
160.08432	0.1
163.03906	1.0
163.06044	0.3
167.03398	0.8
167.07018	1.1
187.07593	0.1
203.10869	0.1
227.07123	0.1
232.96410	0.1
235.13228	0.2
245.08014	3.2
249.11111	1.0
250.11560	1.1
251.11832	0.2
283.75916	0.1
294.56805	0.1
376.20065	0.1
458.12769	0.1
518.56128	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	585.2327
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
55.01865	1.8
60.70526	0.5
65.03924	11.2
67.05492	2.4
67.68054	0.4
71.01318	0.8
77.98090	0.4
79.05459	3.0
81.07039	0.7
82.04178	0.9
85.02868	0.6
87.08385	0.4
90.13181	0.6
91.05469	1.1
93.03391	5.7
95.01341	0.9
95.04932	2.8
98.97559	0.8
101.42725	0.5
102.83195	0.5
103.05407	0.5
105.04531	0.4
105.07006	0.6
107.04947	4.0
108.02074	1.0
110.02901	0.8
110.03642	11.0
111.04421	12.6
119.04891	0.6
121.02833	9.8
121.06479	2.0
123.04413	0.8
125.05968	16.0
129.06984	0.6
131.08600	0.5
133.02840	0.9
135.04370	2.3
137.05951	1.2
141.05417	0.8
145.06470	0.6
147.07996	0.6
148.69427	0.5
149.02319	3.1
149.05963	0.8
151.03891	30.3
151.04997	2.7
151.07516	2.1
153.05443	23.1
153.06772	0.6
157.06493	0.9
159.08083	0.6
161.05940	3.7
161.09608	2.1
162.06728	2.0
163.03923	0.6
165.06967	1.0
167.07028	3.1
167.08450	0.5
169.06378	0.6
175.07600	2.3
177.05447	0.7
177.06935	0.6
178.06282	1.0
178.07747	1.7
179.08505	0.5
181.05028	0.7
181.06401	1.6
182.07256	1.0
183.08011	1.0
187.07628	0.7
188.08229	0.8
189.09152	0.6
191.08768	0.5
193.06461	0.7
194.07306	0.6
195.06407	0.8
195.08026	3.1
197.05940	1.0
197.09616	2.1
201.66537	0.5
203.08566	0.6
206.07274	0.7
207.08012	2.0
209.06003	1.1
209.09677	0.9
210.06731	4.0
211.07552	2.5
212.08316	2.5
213.09000	1.1
219.07999	0.9
219.10094	0.7
220.08685	0.6
221.06036	1.0
221.09656	3.2
222.06764	0.9
223.07542	5.5
223.11079	1.9
224.08328	2.1
225.09018	5.0
227.06949	3.3
227.10580	0.9
234.06731	2.1
235.07553	2.9
236.08339	0.6
237.05536	0.7
237.09100	4.0
238.06187	3.6
238.09773	4.9
239.06981	4.6
239.10605	1.2
240.07761	11.1
241.08607	1.9
249.05391	1.0
249.09036	2.4
249.11246	0.7
251.06972	3.8
251.10490	0.8
252.07755	3.9
253.08521	24.5
253.12199	7.0
254.09358	4.2
255.06598	3.8
255.10123	7.3
257.08109	2.7
265.08600	3.1
266.05652	0.7
266.09293	4.5
267.06400	2.1
267.10083	4.5
268.07233	4.2
269.08029	4.2
270.08835	3.8
270.12418	0.9
271.13312	1.9
277.08603	2.1
279.06430	0.9
279.09982	0.7
281.08459	6.7
281.11243	6.8
282.08817	2.9
283.06351	0.8
283.09583	9.9
284.10349	4.7
285.11115	5.0
285.14758	2.6
293.07980	0.6
293.11526	0.7
294.08939	1.1
295.09586	4.3
296.10388	1.1
297.11194	2.1
298.11938	3.2
299.12701	10.1
300.09821	0.9
303.15820	2.0
309.11069	9.2
310.08475	0.6
310.11905	2.8
311.12857	0.8
313.10623	14.0
313.14301	6.0
326.11322	0.7
327.12183	29.7
328.12943	2.5
331.15421	3.9
339.12418	0.7
341.13660	3.5
357.13129	0.7
359.14810	100.0
360.15289	1.8
371.14764	5.6
372.15668	0.9
437.24533	0.6
585.22046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
64.33250	0.6
65.03928	10.1
67.05496	4.2
78.32420	0.6
79.05470	2.6
81.07043	0.8
82.04169	1.5
85.02908	0.7
91.05479	0.9
93.03387	7.1
93.07059	0.7
95.01282	0.8
95.04945	3.9
105.07030	1.1
107.04935	4.7
108.02055	1.2
110.03651	14.6
111.04440	17.7
115.05514	0.7
119.04959	0.7
119.08603	1.1
121.02853	10.8
121.03715	1.0
121.06488	2.7
123.04419	1.1
125.05972	17.5
129.06923	0.9
131.04970	1.6
133.02893	1.1
133.06396	0.8
135.04366	1.5
137.05977	4.8
141.05504	0.9
145.06459	1.1
147.04436	1.2
147.07983	1.0
149.02319	4.0
149.05965	1.2
151.03896	30.9
151.05003	2.8
151.07533	3.4
153.04201	0.9
153.05450	24.9
153.06743	0.9
155.08519	0.6
157.06444	1.2
158.07227	0.7
159.07924	0.8
161.05957	3.3
161.09593	2.6
162.06799	1.0
165.06943	1.3
167.07010	6.4
167.08449	1.6
173.09653	3.7
175.07547	2.9
177.05429	1.0
178.07767	0.8
179.08495	1.0
181.04962	0.8
181.06474	3.0
181.08586	0.8
182.07182	0.9
184.08829	0.7
186.06802	0.8
187.07535	0.7
189.09091	1.5
190.07695	1.0
193.10147	1.2
194.07326	0.9
195.06479	1.2
195.08087	3.8
197.05971	1.3
201.09120	3.3
202.09425	0.9
205.10118	0.7
206.07344	0.6
207.08023	2.7
209.05962	1.0
210.06828	4.9
211.07523	3.7
212.08328	1.5
213.09032	1.4
219.04115	0.8
219.07961	1.0
220.08928	1.0
221.05972	1.5
221.09596	2.7
222.06731	0.9
222.10251	1.2
223.07521	4.8
223.11150	0.9
224.08252	3.1
225.05545	0.9
225.09090	4.3
227.06990	3.8
227.10600	1.1
233.11720	1.0
234.06697	1.2
235.07603	3.7
237.05412	0.9
237.09138	3.9
238.06268	5.5
238.09908	4.1
239.06979	3.9
239.10664	3.0
240.07793	13.5
241.08531	1.0
249.09070	4.2
249.11322	1.1
250.09538	0.9
251.07011	4.9
252.07802	2.7
253.08542	25.2
253.12164	8.8
254.09364	4.4
255.06564	3.0
255.10139	7.2
257.08096	3.3
265.08627	3.8
266.06015	0.9
266.09338	5.6
267.06595	1.6
267.10144	4.7
268.07318	4.7
269.08084	5.2
270.08719	4.8
277.08563	2.7
278.09518	1.3
279.06696	1.1
279.09955	1.1
280.07242	1.1
281.08026	9.3
281.11667	6.2
282.08963	3.2
283.09650	14.1
284.10376	5.5
285.11203	5.4
285.14719	1.5
291.09967	1.0
294.09082	0.9
295.09656	5.2
297.07858	0.9
297.11179	2.9
298.08755	0.7
298.11960	1.4
299.12787	8.8
303.15729	1.1
309.11145	9.4
310.11911	3.4
311.09082	0.7
311.12497	1.2
312.09781	1.0
313.10645	14.1
313.14267	5.7
326.11200	0.9
327.12201	30.0
328.13019	1.6
329.13821	0.9
331.15347	3.6
339.12302	1.6
341.13837	4.4
343.15668	0.8
357.13144	1.0
359.14828	100.0
360.15424	0.8
371.14795	8.9
599.09387	0.7
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
53.03928	2.1
55.05497	15.3
57.07066	12.2
59.04999	2.8
67.05497	16.9
69.03414	3.8
69.07057	10.0
70.06570	2.4
75.74266	2.1
79.05477	21.4
81.07037	30.8
81.57584	2.2
83.04964	3.9
83.08603	2.5
83.15096	2.1
85.06536	4.0
89.06001	14.1
91.05459	28.1
93.07014	54.3
94.07338	2.6
95.04974	9.3
95.08583	26.9
105.07008	74.8
107.08572	44.9
109.06498	5.6
109.10166	15.8
110.68095	2.4
112.05081	2.0
117.07004	20.6
119.08558	81.4
120.09371	2.8
121.06504	5.2
121.10114	24.9
123.08064	8.9
123.11657	4.1
128.06218	4.2
129.06981	13.8
130.07803	4.5
131.08542	43.8
133.08556	3.7
133.10115	34.4
135.08012	18.2
135.11708	13.7
137.09624	8.4
141.06929	2.5
142.07788	17.9
143.08556	39.0
144.09319	9.4
145.10100	63.2
147.08018	23.9
147.11656	18.4
149.09634	9.4
149.13203	3.6
151.07500	9.2
155.08463	16.8
156.09363	16.9
157.10106	53.5
158.10915	9.2
159.08086	5.1
159.11690	41.4
161.09644	3.5
161.13226	4.6
163.11169	11.0
163.14777	2.9
165.06920	3.0
165.09084	22.2
167.08534	4.3
168.09315	4.7
169.10091	19.5
170.10889	11.7
171.11670	25.0
172.12482	3.7
173.09607	2.5
173.13226	18.3
174.92638	2.6
175.11035	15.6
175.14786	4.9
179.08505	3.3
180.09271	2.8
181.10114	14.8
181.12224	3.6
182.10866	13.3
183.11600	19.0
185.13255	15.6
187.11189	8.8
187.14815	5.3
189.12743	3.5
190.13513	3.0
191.14218	2.3
193.10109	4.5
193.12198	3.8
194.10956	3.7
195.11685	14.4
196.12480	11.2
197.13173	17.1
199.11177	5.4
199.14702	2.9
201.12747	4.4
201.16258	2.6
203.14317	11.9
206.10806	3.2
207.11621	9.7
207.13724	8.9
208.12462	3.7
209.13307	15.5
211.14767	5.5
215.14157	2.5
219.11681	3.5
219.13750	3.3
220.12454	2.6
221.13289	6.3
221.15257	39.4
223.14819	9.9
225.12958	2.4
225.16182	3.5
229.96317	2.4
233.13214	2.3
234.16129	3.7
235.14812	4.2
237.12801	3.9
243.13631	2.8
247.14671	2.6
247.16920	4.0
297.18509	3.0
299.20010	10.2
300.28638	2.9
310.19254	2.4
311.29367	4.0
325.21600	4.1
337.21613	4.0
344.13336	2.2
352.23856	41.2
365.24640	10.1
371.22885	4.4
379.50366	2.4
397.27182	2.8
398.28055	3.4
404.30692	3.9
412.29636	15.1
438.31140	11.7
450.21844	2.5
466.18323	2.3
491.34802	14.4
492.34952	4.4
504.35904	100.0
584.41736	21.1
584.56036	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
54.81239	2.9
55.05503	9.9
57.07063	14.0
63.09382	1.6
67.05485	16.0
69.03410	5.2
69.07041	12.4
79.05483	27.0
80.06261	2.8
81.07039	29.3
83.08584	2.5
85.06538	4.3
89.06028	14.9
90.09785	1.9
91.05463	46.9
91.53664	2.1
92.08621	4.1
93.07013	54.4
95.04929	7.7
95.08582	27.8
97.10158	2.0
105.07011	68.5
106.07777	3.4
107.08586	39.3
109.06518	8.8
109.10149	14.9
117.06999	24.4
119.08562	90.1
120.09402	3.4
121.06503	4.5
121.10120	28.4
123.08071	8.9
125.05962	2.8
128.06233	9.8
129.07004	16.4
130.07751	4.6
131.08559	42.9
132.09334	3.0
133.08563	3.9
133.10095	39.4
135.08029	13.5
135.11665	12.3
137.09583	9.5
141.07007	5.1
142.07765	15.2
143.08543	41.2
144.09329	12.8
145.10118	58.4
147.08031	22.7
147.11636	16.3
149.09619	5.2
149.13301	4.0
151.07474	7.5
155.08553	18.5
156.09332	18.5
157.10110	53.4
158.10909	5.1
159.08046	3.7
159.11656	33.0
161.09616	12.6
161.13281	8.7
163.11160	11.3
165.09077	24.3
167.08524	3.1
168.09328	3.4
169.10071	24.8
170.10927	11.6
171.11661	29.5
172.12454	10.7
173.09688	4.5
173.13240	22.9
175.11217	9.9
175.14816	11.3
179.08536	9.7
181.10117	13.8
181.12192	2.7
182.10883	5.2
183.11667	32.4
184.12459	4.7
185.09688	3.0
185.13211	16.8
186.10339	3.0
186.14024	2.4
187.11157	3.9
187.14856	8.6
189.12700	4.4
193.10077	8.2
193.12305	2.9
194.10887	5.0
195.11577	16.0
197.13211	18.0
197.94678	2.4
199.11273	2.4
199.14845	4.7
201.12708	4.0
203.14330	12.6
206.10780	2.8
207.11667	9.0
207.13745	4.2
209.13255	18.4
210.13921	2.8
211.14777	11.2
213.12735	2.9
215.14452	2.3
217.15819	3.2
221.13232	7.9
221.15350	32.8
222.13983	3.5
223.14798	10.5
226.17247	2.5
234.16139	9.2
235.14748	3.5
237.16321	4.0
239.14252	2.6
247.14740	3.7
251.14099	2.5
253.15831	3.7
261.16437	2.6
263.17886	3.1
265.19858	2.4
271.16989	3.0
279.17303	2.8
281.19083	3.0
299.20029	9.4
309.21896	3.1
311.29230	4.9
325.21689	10.7
337.21481	8.2
352.23828	49.1
365.24625	10.1
398.28058	3.8
412.29477	10.9
438.31064	10.3
459.43484	2.9
491.35446	15.1
492.35358	9.3
504.35895	100.0
531.60040	3.0
583.41290	5.3
584.41870	17.1
584.56091	9.6
609.30792	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	584.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05492	1.1
57.07065	3.6
67.05495	1.9
68.05799	0.4
69.07059	1.1
71.08624	5.1
76.49194	0.5
79.05475	2.4
81.07030	3.6
85.06551	0.6
91.05463	4.7
93.07031	6.2
95.04958	1.2
95.08588	3.1
103.05447	3.2
105.07021	9.4
107.05002	0.7
107.08580	3.4
109.10112	1.3
110.53713	0.6
117.06994	2.4
119.08558	3.6
121.06464	3.5
121.10146	3.4
123.08125	0.6
130.07768	2.5
131.04901	10.9
131.08546	10.3
133.06522	0.6
133.10098	3.0
135.08037	2.5
143.08557	2.5
145.10107	100.0
146.10445	0.8
147.11720	0.8
156.09406	0.8
157.10042	2.1
159.11667	17.1
159.93063	0.5
161.09567	8.1
171.11615	0.7
175.11157	3.5
175.44142	0.5
201.16364	42.2
217.15843	2.5
244.52858	0.7
277.58185	0.6
337.93600	0.5
349.16553	4.4
371.62769	0.6
425.75626	0.5
584.41168	2.4
604.75769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01864	0.4
56.16866	0.3
57.03421	0.5
67.05476	0.3
69.03424	3.9
71.04973	0.4
73.02881	0.3
79.05491	0.3
81.03399	3.5
81.07026	0.5
85.02895	3.6
91.05470	1.0
92.09016	0.3
93.07018	1.0
95.04951	0.6
97.02885	1.9
99.04432	1.0
103.05453	5.1
109.02859	2.9
109.06502	0.3
117.07005	2.4
119.04928	1.1
119.08563	0.4
121.06493	1.5
121.10152	0.3
121.90794	0.2
122.03643	1.0
123.08031	1.1
127.03864	2.4
128.06165	0.6
131.04912	16.5
135.07996	0.4
137.05959	19.0
138.06297	0.3
143.08534	1.2
145.06473	1.0
149.05963	0.4
149.09644	0.6
151.07532	7.7
159.08057	0.6
161.06013	0.5
162.06760	1.8
163.07520	32.2
164.71927	0.2
171.08058	1.2
175.07544	4.0
177.09087	100.0
178.09471	0.5
187.05954	0.5
187.07533	1.6
189.09065	0.5
191.10689	0.4
195.10133	3.2
201.09134	0.3
203.10695	0.6
219.10124	1.3
221.11705	14.7
229.08595	1.0
277.91751	0.3
299.12775	0.3
345.16888	1.6
411.17972	0.3
453.18954	1.2
588.04028	0.3
604.23444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26054	0.7
53.03939	1.8
53.38469	0.8
55.01855	0.8
57.03417	0.8
59.04973	3.0
69.03410	1.9
69.07050	4.3
69.50225	0.8
79.05474	5.2
80.23825	0.7
81.03351	0.9
81.07045	0.9
82.09089	0.8
85.02882	7.7
91.05464	5.8
92.09023	1.6
93.07040	3.2
95.04952	18.9
97.02867	1.7
103.05456	1.6
105.07017	8.0
107.04954	26.2
115.05459	3.6
117.06986	4.1
119.08567	1.4
121.06483	4.0
123.04411	25.2
124.05195	4.1
125.06005	2.0
128.06203	1.3
129.06993	1.8
130.07764	7.9
135.08073	3.8
137.05962	5.8
140.04659	7.7
143.05064	0.9
143.08542	20.9
145.06496	3.2
145.10109	51.8
147.08047	2.0
149.06015	1.2
152.04645	1.4
153.05460	3.8
155.07025	9.3
155.08551	12.2
158.07253	38.1
159.08092	1.9
161.05966	1.8
163.07518	3.4
166.06247	1.5
167.07005	80.8
171.08032	2.0
173.09590	90.2
175.07518	5.3
178.06219	3.4
181.04922	3.9
181.08560	19.9
183.06520	11.9
183.09163	4.9
186.06689	8.9
189.09056	3.8
191.10718	1.5
192.07797	5.6
193.08611	3.6
195.06595	0.8
195.10211	6.7
201.09085	100.0
202.09526	1.2
207.10242	3.5
211.09564	1.1
218.09378	3.9
219.10201	5.5
233.11690	71.9
251.12743	53.3
284.61731	0.9
291.12418	0.8
339.88879	0.9
355.49210	1.0
387.17871	4.9
393.40155	0.9
405.18942	1.5
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
53.03937	1.6
54.00931	0.5
55.01859	1.3
55.05488	1.5
58.24703	0.6
59.04982	3.3
59.33259	0.5
67.05489	6.2
69.03411	3.1
69.07061	6.3
71.04979	1.0
73.02885	0.7
79.05488	9.6
81.03395	1.2
81.07039	4.8
84.01827	0.6
85.02888	10.7
91.05470	7.6
92.09318	0.9
93.07038	5.1
95.04939	23.2
95.08584	4.0
97.02879	3.7
103.05448	1.6
105.04481	0.8
105.07016	8.9
107.04942	30.6
107.08566	1.4
109.10133	1.5
111.04415	0.7
115.03938	0.7
115.05447	2.9
117.06989	3.8
119.08572	1.2
121.06519	6.0
121.10130	1.3
123.04406	24.0
124.05179	3.3
125.05994	1.6
125.09624	0.7
127.03878	0.9
128.06192	1.6
129.06984	1.6
130.07776	7.5
131.04932	1.0
131.08563	3.1
133.06482	1.0
133.10095	0.8
135.08011	5.5
137.05946	7.4
140.04692	9.8
142.07727	1.2
143.08540	20.0
145.04999	1.0
145.06429	2.8
145.10114	47.3
147.04381	0.9
147.08038	2.9
148.05281	0.7
149.05943	0.9
151.03903	2.4
152.04686	1.1
153.05377	2.5
154.06305	1.1
155.07014	10.5
155.08527	11.8
157.06529	1.0
157.09987	0.8
158.07243	38.9
158.08562	1.6
158.69644	0.7
159.07997	3.4
161.05965	3.3
163.07539	5.5
163.11121	0.8
166.06233	2.7
167.07005	97.1
171.07950	1.0
172.08826	1.2
173.09584	85.5
175.07513	5.9
177.09099	0.9
178.06230	4.6
179.06883	0.8
180.08833	1.3
181.04947	13.8
181.08580	21.6
183.06525	11.0
183.09161	3.9
186.06750	9.0
189.09052	3.9
191.10657	3.9
192.07788	4.9
193.08580	4.6
195.10141	9.7
197.02565	0.8
201.09076	100.0
207.10094	2.7
211.09648	1.0
218.09276	3.4
219.10089	7.3
223.13315	1.1
233.11691	58.3
251.12730	47.0
255.23087	1.4
273.24292	1.0
314.48196	0.7
387.17755	3.7
405.18802	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	584.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
57.03426	0.3
57.98989	0.3
61.02912	0.4
63.07191	0.3
68.96072	0.3
68.96545	0.3
69.03395	1.4
78.04671	1.8
79.05474	3.7
81.03383	0.4
81.07021	0.6
84.87998	0.3
85.02898	4.3
90.70860	0.3
91.05437	1.2
93.07004	0.6
95.04948	1.1
97.02864	0.6
103.05429	4.7
105.07013	7.4
106.04135	1.4
107.04943	10.2
109.06502	0.3
110.66453	0.3
115.05447	2.2
117.06979	1.4
119.04926	0.4
121.06472	1.9
122.03598	0.5
123.04402	4.6
124.05204	3.0
125.05975	0.5
127.03968	0.4
128.06149	0.4
129.06961	0.4
131.04916	9.7
131.08568	0.4
132.05708	0.4
133.06471	9.0
134.03607	0.5
135.08069	2.4
137.05943	3.0
141.06924	1.0
143.04916	0.4
143.05992	0.6
145.06497	2.5
145.10094	0.4
147.04372	1.8
149.05968	1.2
151.03868	1.3
151.07507	2.5
152.04637	3.0
158.07213	0.7
159.08020	0.4
160.05153	0.6
161.05945	8.9
163.07510	13.1
167.07005	100.0
167.31870	0.3
168.07350	1.1
172.89998	0.3
173.05908	0.6
173.09599	1.7
175.07516	2.4
177.09088	1.4
179.07018	2.1
181.08582	4.4
187.07506	1.6
193.08571	16.1
195.10103	0.5
201.09038	2.0
205.08635	0.5
207.10201	0.6
210.18004	0.3
217.08447	0.4
218.09189	0.3
219.10094	3.2
231.07924	0.7
233.11719	1.6
248.08452	0.3
251.12700	0.4
263.10587	0.6
291.09973	0.5
295.13190	0.3
297.55853	0.3
323.12747	0.5
355.15338	6.0
360.57547	0.3
387.17960	6.2
405.19000	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.78289	0.5
55.01865	2.3
55.05500	2.4
57.03437	1.0
57.57563	0.5
61.02924	0.7
67.05496	4.8
69.03421	7.2
69.07053	1.1
71.04977	3.5
73.02905	0.7
79.05466	15.6
81.03362	1.5
81.07043	13.5
83.04971	2.7
85.02894	14.0
85.03368	0.9
91.05450	4.6
91.33108	0.5
93.07032	2.8
95.04944	5.1
95.08588	3.5
97.02882	5.0
97.06499	6.1
99.04438	11.9
105.07014	10.2
107.04948	13.0
107.08562	2.0
109.02895	1.2
109.06520	6.1
109.10143	36.1
111.04425	4.7
117.06995	2.4
119.08553	12.5
121.06503	3.0
121.10184	0.7
123.04471	0.8
123.08042	0.7
125.05980	2.5
127.03885	3.8
128.06218	3.8
129.06995	3.4
131.08495	0.6
133.06454	1.0
133.10109	13.6
135.08063	0.8
137.05945	2.0
137.09592	59.0
143.07419	0.6
143.08551	14.1
145.04921	2.3
145.06502	0.9
145.10126	3.5
145.54758	0.5
146.07254	2.9
146.71574	0.5
147.08026	17.5
158.03459	0.7
159.07999	0.7
161.09587	100.0
163.06044	0.8
163.11198	3.9
165.09079	68.4
171.08017	3.4
174.06732	1.3
179.10617	9.3
189.09059	19.9
196.55756	0.5
207.10136	56.4
225.11188	37.7
243.12250	7.1
356.43060	0.6
375.34824	0.6
387.16510	2.9
403.29373	0.6
415.39255	0.6
558.05328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03949	0.5
55.01869	1.3
55.05499	3.1
57.03431	1.1
57.25855	0.2
61.02910	1.3
67.05486	4.4
69.03404	4.2
69.07056	1.3
71.04963	3.3
72.32610	0.2
73.02908	0.3
73.39877	0.2
79.05473	14.0
81.03422	1.6
81.07038	8.5
83.04959	3.8
85.02891	9.4
91.03973	0.3
91.05447	4.1
92.08642	0.5
93.07021	2.6
95.04951	5.8
95.08584	3.2
97.02866	4.1
97.06502	5.3
99.04436	6.8
105.04477	0.3
105.07004	7.2
107.04190	0.5
107.04941	21.8
107.08567	2.1
109.02855	2.7
109.06484	3.4
109.10136	29.8
111.04434	3.0
117.07017	1.5
119.08554	9.8
121.06491	1.8
121.10092	0.5
123.04380	1.2
123.07996	0.6
125.05957	3.6
127.03895	1.5
128.06183	2.7
129.06969	4.2
131.08525	0.5
133.06476	1.0
133.10106	12.3
135.08009	1.2
137.09592	56.1
143.07027	1.8
143.08543	12.9
145.04939	2.5
145.06541	0.3
145.10066	2.8
146.07257	2.6
147.08025	23.0
151.11128	0.3
161.09584	100.0
163.06152	0.8
163.07523	1.4
163.11159	1.7
165.09074	65.8
171.08040	1.5
174.06732	1.8
179.10646	9.4
180.08655	0.4
183.10075	0.5
189.09053	11.7
197.11714	2.6
199.17406	0.3
207.10129	46.2
225.11176	52.1
230.93384	0.3
235.43185	0.3
243.12230	7.0
254.32503	0.3
387.16217	1.2
417.10941	0.3
440.68631	0.3
446.85379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01861	0.7
55.05500	2.4
57.03424	0.8
61.02906	2.0
67.05490	6.0
69.03416	7.0
69.07053	0.9
71.04990	3.6
79.05475	15.4
81.03382	1.9
81.07038	10.9
83.04958	2.6
85.02370	0.5
85.02888	14.6
91.03921	0.5
91.05425	4.6
93.07047	3.1
95.04939	5.1
95.08611	3.9
97.02892	4.6
97.06507	4.9
99.03831	0.8
99.04433	13.2
105.07012	9.4
107.04934	14.3
107.08544	2.1
109.02857	1.9
109.06498	6.0
109.10142	35.0
111.04416	3.9
117.07005	2.2
119.08563	12.4
121.06504	3.9
123.04431	0.8
125.05955	3.0
127.03864	2.4
128.06194	2.9
129.06964	3.0
131.08521	0.9
133.06436	2.1
133.10103	12.2
135.07988	0.7
135.11646	0.6
137.05971	1.0
137.09593	58.9
143.08545	15.4
145.04932	2.0
145.10049	3.3
146.07236	2.6
147.08029	14.7
151.07492	0.5
151.11192	0.6
161.09586	100.0
163.05882	0.6
163.07530	0.4
163.11156	4.1
165.09077	65.3
171.07983	2.6
174.06737	2.2
179.10620	7.4
180.08620	0.8
183.10143	0.5
189.09071	17.3
207.10127	54.5
220.17479	0.4
225.11172	34.6
243.08275	0.5
243.12218	6.1
387.16431	1.6
436.71109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86789	2.5
53.00313	3.1
53.03936	4.0
55.05502	21.0
57.07069	16.6
59.04976	3.9
59.37576	2.9
67.05492	28.1
69.03426	7.4
69.07053	27.1
70.79277	2.8
77.98563	3.2
79.05476	36.9
81.07054	38.1
81.07450	4.3
83.04972	4.9
83.08591	4.6
83.90359	3.5
85.06543	5.1
91.05463	72.8
93.07023	73.0
95.04956	26.3
95.08581	38.2
97.06519	4.6
103.05470	6.4
105.07013	96.4
105.07660	5.3
107.08572	61.4
108.08923	3.7
109.06510	15.8
109.10141	25.6
111.08089	5.1
115.05373	3.4
116.06228	3.3
117.06946	27.0
119.08567	100.0
121.06437	6.7
121.10126	46.2
123.08057	24.0
128.06209	7.8
129.07005	25.6
130.07788	6.4
131.04887	4.6
131.08568	40.8
133.10091	42.7
135.08034	7.0
135.11678	8.2
137.09604	13.1
138.22760	3.2
141.06993	5.1
142.07762	36.0
143.08539	51.7
144.09297	14.3
145.10107	63.8
147.08047	20.8
147.11702	15.9
149.09616	6.9
151.07564	15.0
153.07022	4.1
155.08578	24.3
156.09343	33.0
157.10114	65.2
158.10904	5.9
159.11671	22.1
161.09601	8.0
161.13231	6.6
163.11162	6.7
165.06981	7.6
165.09103	28.7
167.08528	13.6
168.09305	6.7
169.10095	33.2
170.10916	11.8
171.11674	27.2
173.05988	3.5
173.09636	3.8
173.13251	14.7
178.07826	5.6
178.78558	3.2
179.08582	18.4
180.09311	8.1
181.10115	20.0
182.10899	8.0
183.11613	28.0
184.12390	4.9
185.13235	16.6
192.09293	6.2
193.10104	22.2
194.10869	17.8
195.11691	22.4
196.12314	4.5
197.13242	21.8
199.14877	7.7
203.14322	15.5
205.10173	12.8
206.10925	16.6
207.11772	22.9
207.13556	3.5
208.12387	5.6
209.13316	32.9
211.14806	12.7
217.10117	6.4
217.15852	7.6
219.11772	5.9
220.12393	6.5
220.86224	4.7
221.13283	11.5
221.15370	35.8
222.13998	4.8
223.10982	4.0
223.14816	18.5
225.16411	7.5
231.11816	4.0
233.13300	12.3
235.14833	6.4
237.16447	3.5
245.13255	5.8
247.14851	6.3
249.16560	4.5
251.17888	5.2
261.16330	7.8
263.17752	4.5
275.17953	14.9
283.20642	5.4
327.20908	3.9
522.71808	3.6
565.40027	8.0
583.41888	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17036	2.1
53.03945	2.9
55.05507	24.1
57.07065	10.7
59.04999	4.1
64.99215	2.4
65.03941	4.2
67.05500	28.1
69.03402	11.0
69.07050	26.2
79.05467	33.7
81.07043	44.2
83.04957	10.2
83.08609	5.7
85.06516	5.0
90.99020	2.1
91.05460	63.8
93.07022	69.8
94.07361	4.5
95.04944	15.4
95.08584	37.2
97.06498	3.5
103.05447	6.4
105.07014	100.0
107.08578	50.0
109.06507	15.1
109.10145	22.4
115.05454	4.0
117.06973	18.9
119.08564	93.4
121.06466	14.0
121.10120	45.8
123.08019	18.7
123.11687	3.2
128.06192	20.9
129.06987	19.8
130.07785	11.7
131.04927	3.6
131.08542	44.6
133.10109	45.9
135.08058	18.4
135.11661	12.0
137.09590	17.2
141.06999	10.2
142.07750	31.7
143.08546	47.9
144.09334	9.3
145.10115	65.8
147.08044	16.7
147.11694	16.7
149.09558	5.3
149.13298	3.0
151.07480	6.0
153.06947	3.4
154.07726	4.4
155.08485	18.5
156.09315	25.7
157.10092	65.6
158.10896	4.2
159.07957	4.2
159.11667	22.1
161.09598	4.1
161.13219	4.8
163.11133	5.1
165.07014	3.8
165.09077	32.3
166.07758	5.7
167.08542	15.5
168.09254	5.6
169.10065	36.3
170.10872	11.6
171.11607	26.3
173.13329	20.9
175.11145	5.2
175.14825	5.6
179.08452	19.5
180.09351	10.2
180.17197	2.6
181.10106	15.6
181.12158	2.9
182.10849	12.7
183.11650	29.5
184.12413	3.9
185.13261	15.1
187.14890	4.9
192.09262	5.0
193.10080	26.7
194.10922	9.5
195.11722	24.8
196.12476	4.3
197.13257	19.6
199.14752	12.5
201.16409	3.8
203.14287	13.5
205.10110	4.3
206.10928	12.3
207.11627	22.0
207.13481	2.7
208.12399	5.2
209.13191	30.8
210.13850	3.7
211.14790	12.1
213.16342	3.0
217.10027	3.8
217.15862	3.4
218.10875	3.4
219.11723	4.9
220.12509	5.5
221.13264	12.8
221.15390	31.0
222.14055	4.6
223.14809	16.5
225.16338	3.5
231.11641	5.3
232.12425	5.1
233.13271	11.3
234.13980	3.4
235.14853	10.7
237.16397	3.9
243.11646	2.8
245.13193	5.7
247.14771	6.1
249.16348	5.3
257.19046	4.0
259.14798	3.7
260.15469	5.3
261.16388	11.0
275.17908	11.0
283.20529	6.3
285.15964	3.0
295.20490	3.1
301.19293	3.9
375.26968	2.8
503.35001	3.1
565.39856	16.3
583.41656	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11296	3.6
50.15097	3.8
53.03931	4.5
55.01871	8.0
55.05503	48.6
57.03424	41.7
63.90725	3.6
67.05502	82.3
69.07056	40.6
71.04947	4.8
75.28065	4.3
79.05486	55.7
81.03414	78.9
81.07045	100.0
83.04965	20.6
83.08605	54.2
83.72182	4.1
85.02894	38.6
85.06553	4.9
89.47301	4.5
91.05466	69.9
92.09196	5.8
93.07039	70.4
95.04957	39.9
95.08578	63.8
97.10128	8.4
105.07007	50.6
107.04931	8.1
107.08591	34.8
109.06492	6.8
109.10162	36.3
111.08084	7.1
119.08583	36.1
121.06500	10.0
121.10148	20.0
123.11671	6.1
129.06972	23.2
131.08527	17.9
133.10109	22.2
135.11665	6.4
145.10107	6.8
147.08018	6.4
147.11690	26.0
157.10141	23.6
160.58907	5.4
161.13211	8.0
175.11180	8.1
193.12259	32.4
211.13252	48.2
212.23195	4.8
267.15918	7.5
285.16959	52.2
314.97711	5.6
337.27249	67.8
377.14700	5.0
547.40033	66.1
576.58221	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	582.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11296	3.6
50.15097	3.8
53.03931	4.5
55.01871	8.0
55.05503	48.6
57.03424	41.7
63.90725	3.6
67.05502	82.3
69.07056	40.6
71.04947	4.8
75.28065	4.3
79.05486	55.7
81.03414	78.9
81.07045	100.0
83.04965	20.6
83.08605	54.2
83.72182	4.1
85.02894	38.6
85.06553	4.9
89.47301	4.5
91.05466	69.9
92.09196	5.8
93.07039	70.4
95.04957	39.9
95.08578	63.8
97.10128	8.4
105.07007	50.6
107.04931	8.1
107.08591	34.8
109.06492	6.8
109.10162	36.3
111.08084	7.1
119.08583	36.1
121.06500	10.0
121.10148	20.0
123.11671	6.1
129.06972	23.2
131.08527	17.9
133.10109	22.2
135.11665	6.4
145.10107	6.8
147.08018	6.4
147.11690	26.0
157.10141	23.6
160.58907	5.4
161.13211	8.0
175.11180	8.1
193.12259	32.4
211.13252	48.2
212.23195	4.8
267.15918	7.5
285.16959	52.2
314.97711	5.6
337.27249	67.8
377.14700	5.0
547.40033	66.1
576.58221	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	582.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15500	1.0
53.03927	1.7
55.01861	2.1
55.05503	14.2
57.03416	4.5
57.07050	5.1
58.34274	1.0
59.04995	1.1
67.05489	20.5
69.03399	7.2
69.07059	13.0
71.04964	5.9
73.02908	1.0
76.56172	1.1
79.05469	17.1
81.03403	1.9
81.07037	91.0
83.04944	2.3
83.08588	9.3
85.02896	18.8
85.06518	1.6
91.05449	5.2
93.07024	42.3
94.29903	1.1
95.04939	7.0
95.08008	2.0
95.08582	47.5
97.02860	5.8
97.06529	7.6
97.10136	7.1
99.04419	1.3
99.08026	1.0
105.07024	9.4
107.04953	1.5
107.08577	67.6
109.06503	5.0
109.10139	35.0
111.08041	5.1
113.09613	19.2
114.28397	1.0
119.08565	6.8
121.02834	2.5
121.06455	2.2
121.09261	1.9
121.10120	50.8
122.27512	1.0
123.08058	1.7
123.11686	50.6
125.05968	11.7
125.09583	2.0
127.03883	2.5
127.07488	1.1
131.08521	2.0
133.10094	7.2
135.08014	4.7
135.11664	19.1
137.05878	1.9
137.13194	4.5
139.03833	1.2
139.07510	7.6
139.11163	4.9
143.08493	1.0
145.04941	1.2
145.10083	7.1
147.11629	5.5
149.09624	5.3
149.13231	10.5
151.11134	2.0
151.14822	1.0
153.09082	8.8
155.10677	2.4
158.72571	1.1
159.11606	1.9
161.13223	5.5
163.11105	5.2
163.14786	45.6
167.10617	6.2
175.11153	1.7
175.14771	1.3
177.16338	73.9
179.17914	2.1
187.14754	5.5
193.75604	1.1
205.12144	1.9
205.15831	32.3
223.16882	100.0
241.17950	5.4
265.14410	7.4
293.17426	1.7
295.18640	1.4
302.24246	1.0
331.22507	3.9
349.23636	4.5
367.24854	7.2
385.21909	2.1
463.11276	1.1
496.74274	1.2
515.23108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01857	2.2
55.05507	1.9
57.03424	2.1
61.02924	0.8
67.05495	2.1
69.03415	13.6
69.07049	3.4
71.04988	0.9
71.17955	0.5
73.02906	1.2
77.21906	0.5
79.05470	2.3
81.03395	13.4
81.07043	5.6
82.07342	0.6
83.04977	1.1
85.02893	14.6
91.05451	4.3
92.09042	2.8
93.07011	5.4
95.04966	1.1
95.08573	4.2
97.02875	6.3
97.06502	1.0
97.10126	3.1
99.04440	3.5
103.03938	1.2
103.05452	7.6
105.07000	3.4
107.04941	1.2
107.08592	4.0
109.02856	9.6
109.06487	2.7
109.10138	3.0
110.62243	0.6
115.05419	0.8
117.06988	4.6
119.04939	2.9
119.08549	2.2
121.06493	1.1
121.10123	4.2
122.03601	2.8
123.08031	1.3
123.11706	1.3
127.03892	9.1
129.06967	1.2
131.04906	19.2
131.08549	1.3
133.06418	0.5
133.10126	3.1
135.08043	0.9
135.11687	1.2
137.05957	43.0
139.07565	0.6
139.11125	2.0
143.08556	1.0
145.04933	1.2
145.06339	0.8
145.10121	0.8
147.11687	3.0
149.05975	2.3
149.09622	0.7
149.13245	0.9
151.03929	2.1
151.07532	19.9
151.11189	2.2
153.12682	0.8
157.06459	2.1
157.12250	0.6
161.05957	5.6
161.09596	1.1
161.13255	0.7
162.06725	2.8
163.07512	32.7
165.09109	0.6
165.12718	2.7
167.08524	1.9
167.10641	0.7
175.06097	0.8
175.07494	6.1
175.11194	2.0
177.09076	100.0
178.09383	0.5
179.07011	0.6
179.08490	0.6
181.12234	0.6
187.06038	3.7
187.07469	0.9
189.09055	5.5
190.07787	0.7
193.06610	0.6
193.10081	0.9
193.12198	0.6
195.08072	3.4
195.10156	2.7
201.09105	0.8
205.07021	2.3
209.05984	0.5
209.08011	1.1
212.08238	0.6
219.10156	1.2
221.05994	1.2
221.09642	0.8
221.11647	10.9
223.07408	1.1
227.10654	4.0
233.06152	0.6
235.16887	0.9
237.09186	0.7
249.09061	0.9
253.08534	2.5
253.12184	2.2
255.10101	4.1
265.08423	2.2
267.10013	1.1
269.07959	0.9
281.11578	0.8
285.11224	2.5
287.12738	4.7
293.11453	0.6
293.17285	0.6
297.11197	1.2
299.12711	3.0
311.12711	3.2
313.14197	4.1
313.21634	0.6
325.14175	0.6
331.15369	23.7
331.22702	2.2
341.13791	0.7
343.15393	6.9
349.23703	3.3
355.15289	1.9
367.24667	5.7
403.26669	1.0
421.16583	3.6
455.46155	0.5
481.18625	0.6
517.20532	2.4
545.44373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.81700	1.0
55.01865	3.9
55.93792	0.8
57.03420	2.3
61.02909	5.1
67.05485	1.6
69.03415	6.0
71.04948	0.9
73.02893	1.5
79.05478	2.4
80.75783	1.0
81.03410	3.7
83.01339	2.0
85.02898	17.9
86.09703	1.7
88.42947	0.9
91.05453	4.6
94.82198	0.8
95.01322	3.6
95.04940	4.3
97.02887	7.3
103.05460	2.4
105.07022	43.5
107.04980	2.3
111.04401	1.5
115.05420	9.9
117.07006	5.6
119.04903	4.7
119.08587	1.3
123.04410	8.2
127.03880	6.4
129.06990	3.3
129.98271	1.0
131.04915	3.9
133.06474	54.5
137.05902	1.4
139.03925	2.1
140.04733	1.7
141.06960	2.3
143.04950	2.2
143.06006	1.8
145.06477	10.4
147.04388	5.0
147.08038	2.4
152.04704	1.1
155.04883	1.2
155.07054	2.0
156.05661	1.1
157.06483	10.3
159.08072	1.4
160.05179	2.1
161.05956	100.0
163.03882	1.2
163.07591	1.3
167.07040	24.2
169.06392	1.2
171.04355	1.4
172.05193	1.8
173.05894	7.3
175.03867	9.0
175.07529	4.2
180.08604	1.3
181.04965	2.1
183.04434	1.5
183.06453	4.6
183.07990	1.1
185.05966	6.7
186.03140	1.2
187.03876	2.2
187.07518	15.3
188.04771	1.6
189.05493	7.3
190.06221	5.0
191.07053	4.1
193.08577	46.6
197.05872	1.4
198.03142	1.7
200.04707	1.9
201.05397	8.0
203.07036	4.5
204.07855	1.8
205.08592	9.6
207.06477	15.9
207.10146	1.3
212.04770	1.3
213.05516	7.5
215.06964	4.9
216.04143	5.3
217.04889	4.8
217.08510	2.0
219.06598	9.4
220.07326	1.8
221.07898	3.7
228.04173	1.2
229.04832	7.5
231.02867	8.6
231.06474	9.6
232.03703	2.0
233.04480	7.5
233.07950	10.6
243.06502	4.0
244.03720	4.2
245.08118	10.9
246.05377	1.1
247.05948	10.4
249.07645	7.4
251.09105	14.5
257.04333	3.4
257.08081	1.8
259.05991	63.8
261.07614	13.2
263.09131	4.4
273.07590	4.3
275.08987	12.9
277.07040	18.7
279.08643	2.1
287.09186	1.3
289.07068	7.9
291.08569	1.4
293.10104	8.1
305.10217	4.3
307.08011	13.9
323.11227	2.3
325.09113	14.9
341.12189	1.4
349.09323	1.7
355.10101	1.8
367.10284	9.4
385.11224	36.9
430.39221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2197
Annotation	ES-242-4
Peak:m/z	Relative Intensity
56.07913	0.5
67.05490	0.6
81.07024	0.7
83.04981	0.7
84.02248	0.5
85.02882	0.7
87.92950	0.5
91.05499	1.0
105.07001	0.6
107.08553	0.6
131.25713	0.5
137.05971	0.9
147.04379	0.9
182.47519	0.6
189.42630	0.6
193.08386	0.6
209.26285	0.6
283.06036	0.9
293.17117	7.0
295.18573	0.6
309.16769	3.4
313.07138	2.6
333.96582	0.8
352.12790	2.5
364.12741	1.2
367.11679	0.7
382.13800	1.1
398.03070	0.6
433.11435	1.0
549.21381	0.7
579.21954	100.0
580.22516	2.2
584.08875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39891	2.2
51.01957	2.8
53.03934	3.5
54.82016	2.3
55.01869	5.9
55.05507	41.6
55.42480	2.3
57.03428	30.4
57.07066	5.4
57.50722	2.3
62.44264	2.7
66.90419	2.6
67.04407	2.6
67.05496	77.2
69.03423	3.7
69.07058	32.6
71.04979	7.2
74.09705	16.4
79.05053	4.4
79.05475	72.0
81.03407	47.9
81.06592	5.6
81.07041	100.0
83.04959	28.1
83.08588	21.9
85.02895	22.5
85.06529	5.1
89.18221	2.9
91.05456	67.1
92.49172	2.8
93.07025	96.7
95.04948	37.4
95.08584	48.2
97.06519	13.4
97.10116	3.4
105.07017	49.7
107.04926	6.7
107.08578	57.0
109.06515	14.3
109.10110	24.1
111.08076	13.5
114.37655	2.8
117.06984	6.5
119.08578	42.7
121.06516	4.6
121.10125	40.0
123.08011	7.3
123.11723	5.9
125.09630	13.3
129.07010	15.3
131.08530	28.5
133.06500	3.5
133.10135	20.1
135.08017	5.1
135.11674	19.1
145.10106	21.3
147.11647	26.0
149.09610	13.4
149.13235	5.4
157.10109	17.2
159.11649	7.0
173.13219	5.7
175.11212	13.8
175.89389	2.6
181.46758	2.9
189.01682	3.0
193.12213	26.4
201.16449	6.8
211.13246	32.0
225.14876	2.9
261.22058	3.9
267.15768	4.0
285.16840	26.9
335.25726	68.2
346.97360	3.1
385.11926	3.0
545.38251	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39891	2.2
51.01957	2.8
53.03934	3.5
54.82016	2.3
55.01869	5.9
55.05507	41.6
55.42480	2.3
57.03428	30.4
57.07066	5.4
57.50722	2.3
62.44264	2.7
66.90419	2.6
67.04407	2.6
67.05496	77.2
69.03423	3.7
69.07058	32.6
71.04979	7.2
74.09705	16.4
79.05053	4.4
79.05475	72.0
81.03407	47.9
81.06592	5.6
81.07041	100.0
83.04959	28.1
83.08588	21.9
85.02895	22.5
85.06529	5.1
89.18221	2.9
91.05456	67.1
92.49172	2.8
93.07025	96.7
95.04948	37.4
95.08584	48.2
97.06519	13.4
97.10116	3.4
105.07017	49.7
107.04926	6.7
107.08578	57.0
109.06515	14.3
109.10110	24.1
111.08076	13.5
114.37655	2.8
117.06984	6.5
119.08578	42.7
121.06516	4.6
121.10125	40.0
123.08011	7.3
123.11723	5.9
125.09630	13.3
129.07010	15.3
131.08530	28.5
133.06500	3.5
133.10135	20.1
135.08017	5.1
135.11674	19.1
145.10106	21.3
147.11647	26.0
149.09610	13.4
149.13235	5.4
157.10109	17.2
159.11649	7.0
173.13219	5.7
175.11212	13.8
175.89389	2.6
181.46758	2.9
189.01682	3.0
193.12213	26.4
201.16449	6.8
211.13246	32.0
225.14876	2.9
261.22058	3.9
267.15768	4.0
285.16840	26.9
335.25726	68.2
346.97360	3.1
385.11926	3.0
545.38251	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.29863	0.1
52.85406	0.1
57.03428	0.5
67.01854	0.3
68.99439	0.1
68.99780	0.3
71.04611	0.1
71.04978	2.5
73.02936	0.1
83.04971	0.1
85.02889	3.3
87.04436	0.1
88.04599	0.1
90.81340	0.1
90.83330	0.1
91.05456	0.2
93.70913	0.1
111.00850	0.1
119.04910	1.2
121.02842	0.7
127.90308	0.1
129.05432	0.6
145.02809	0.6
153.00558	0.1
153.01797	3.9
155.47388	0.1
163.03877	0.4
171.02849	0.7
192.07768	0.1
203.07024	0.1
225.05452	0.4
229.04956	0.3
243.06511	0.3
271.05945	100.0
272.06241	1.2
283.05911	0.3
293.17239	0.1
300.54901	0.1
309.16568	0.1
313.06946	0.4
337.06897	0.1
433.11194	10.3
434.11453	0.1
579.21472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
57.03400	0.6
61.79175	0.3
64.33536	0.3
67.01832	0.4
71.04981	2.7
78.75083	0.3
79.01809	0.4
81.03319	0.5
83.04950	0.6
85.02891	5.5
105.06995	0.4
111.00857	0.4
113.10629	0.4
119.04909	3.5
121.02073	0.5
121.02854	9.7
125.02362	0.4
145.02811	1.3
153.01817	5.2
163.03882	0.5
165.01819	0.8
171.02811	1.5
175.32707	0.4
179.03258	0.4
180.00023	0.4
183.02763	0.6
187.03810	0.6
189.05333	0.4
191.03389	0.5
195.02701	0.6
205.04951	0.4
211.07451	0.4
213.05357	1.4
217.04871	2.8
227.06985	0.8
228.07828	0.4
232.91866	0.4
243.02878	1.5
243.06479	2.1
255.06447	1.8
256.07239	3.5
259.05972	2.3
261.03842	1.9
271.05954	100.0
272.06259	1.4
281.27228	0.4
283.05954	35.5
284.06732	23.7
285.07489	1.9
289.07416	0.5
293.17181	0.8
295.05954	8.2
297.07513	10.2
308.06799	2.3
309.07523	4.3
309.16730	3.2
311.05539	1.8
313.07010	62.2
321.07632	0.8
323.05383	1.5
323.09000	9.9
325.06958	3.3
327.08557	0.8
337.07004	11.8
343.07971	3.4
349.07178	0.5
351.08585	2.9
355.08069	1.6
367.08069	6.5
379.08047	5.5
397.09103	11.2
415.10101	12.7
433.11243	33.7
459.12958	0.5
579.17041	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	579.1707
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
55.01874	0.6
56.96596	0.4
57.03438	1.0
57.58628	0.5
68.35572	0.4
69.03416	0.6
70.11834	0.5
71.04990	2.1
79.01874	0.7
79.05490	0.5
79.29429	0.4
81.03415	1.0
81.07053	0.8
83.05016	0.4
85.02894	5.3
91.05495	0.5
93.07040	0.6
96.20848	0.5
98.76680	0.5
116.25108	0.6
117.06984	0.8
119.04921	3.5
121.02841	13.5
123.04428	1.2
127.03923	0.8
137.06120	0.6
145.02844	1.0
145.06491	1.2
147.04448	0.6
151.64449	0.5
153.62463	0.5
155.85158	0.5
163.03873	1.1
165.01846	2.1
167.07007	11.6
171.02788	1.0
173.05920	1.2
179.03432	0.7
180.95396	0.5
181.04967	2.6
187.03967	0.7
189.05441	0.8
191.03340	0.7
200.28236	0.6
205.04874	0.8
205.08626	0.6
212.35504	0.5
213.05505	2.3
217.04909	4.2
243.02792	0.8
243.06476	2.9
255.06450	4.0
256.07190	4.8
259.05923	2.7
261.03906	2.9
267.06354	0.7
270.05414	0.6
271.05966	8.0
283.05942	62.2
284.06708	40.1
285.07428	2.4
293.17099	0.6
294.05075	0.7
295.05936	14.3
297.07526	14.2
305.08029	0.6
307.05975	0.8
308.06653	1.1
309.07504	6.0
311.05383	3.5
313.06992	100.0
314.07236	1.0
323.05380	2.7
323.08957	16.2
325.06949	4.0
327.08578	0.8
337.06979	19.5
341.06519	0.8
343.08041	5.6
345.02777	0.8
349.06808	0.9
351.08502	4.9
355.07971	0.8
367.08032	8.9
379.07953	7.5
397.09055	16.5
415.10080	14.6
433.11191	49.2
459.12659	2.5
579.16736	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
57.03430	0.7
71.04978	2.8
79.01830	0.8
81.03418	1.1
85.02891	4.4
93.88374	0.6
94.84451	0.6
119.04924	2.8
119.06976	0.6
121.02854	13.5
145.02811	1.0
163.03891	0.7
165.01860	1.4
165.37950	0.6
167.03397	0.7
177.01833	0.6
187.03734	1.1
189.05424	0.7
191.03432	0.8
195.02872	1.0
213.05472	1.4
217.04837	5.8
227.07007	0.9
233.04562	0.8
236.96573	0.7
241.04932	0.7
243.02946	3.4
243.06529	2.5
255.06471	3.5
256.07297	4.9
259.05972	3.3
261.03934	2.6
270.05252	1.0
271.05954	8.1
283.05969	69.0
284.06738	39.2
285.07486	1.3
295.05951	15.4
297.07538	17.5
307.05850	1.4
308.06726	3.7
309.07477	7.0
311.05542	2.2
311.43613	0.6
313.07013	100.0
323.05557	2.0
323.09036	20.8
325.07089	4.9
327.08646	1.0
335.03235	0.6
337.06973	21.3
343.08081	7.3
349.07068	0.9
351.08636	7.0
355.07965	1.4
361.07123	0.9
367.08121	9.4
379.08029	8.9
397.09152	24.3
415.10178	20.5
433.11221	79.6
485.31076	0.6
579.07764	0.8
579.17010	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	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
53.31948	0.4
55.01860	0.9
61.19290	0.4
65.03929	0.6
68.99773	5.8
69.03394	0.4
71.04935	0.4
79.05437	0.4
81.03394	2.6
85.02889	0.5
89.03886	0.6
95.04943	0.7
97.45366	0.4
99.04465	1.6
103.05522	0.8
103.32458	0.4
105.03321	0.5
107.04932	3.0
109.02872	3.5
111.00774	2.5
111.04428	2.1
111.37217	0.4
119.04928	0.9
119.80718	0.4
120.31123	0.5
121.02837	1.9
123.04413	33.1
127.03895	100.0
131.04918	3.0
135.04396	36.3
137.02313	2.3
137.05943	0.8
139.03885	37.7
143.04886	0.8
145.06451	0.7
147.04385	6.1
149.02313	4.3
149.05960	1.9
151.03874	6.0
155.04822	0.5
159.04468	4.2
161.05962	2.8
163.03873	33.0
165.05402	3.6
167.03365	7.8
167.74217	0.4
169.05066	0.6
169.06468	2.3
173.05916	4.3
175.03894	2.8
177.05389	3.8
179.03372	3.4
179.45349	0.5
181.06479	0.6
183.04425	0.7
185.05925	0.9
187.03816	6.8
187.07545	0.5
189.05437	2.6
191.03354	11.3
193.04929	3.3
197.05945	2.9
201.05421	7.3
203.03386	7.3
203.07056	1.9
205.04956	2.1
207.06435	0.5
213.05490	0.9
215.03409	0.6
215.07037	3.2
217.04878	0.7
225.05412	1.1
229.04971	6.4
231.06479	0.8
233.04454	5.5
237.46152	0.5
241.04947	1.7
243.06480	4.0
245.04373	5.7
247.05957	6.9
251.05446	1.8
253.04884	0.9
255.06432	0.6
257.04388	9.1
259.06012	4.7
269.04370	1.1
271.05930	13.5
275.05475	7.9
283.06046	3.6
284.85489	0.5
287.05420	13.8
289.06982	8.5
291.08557	8.3
299.05530	2.6
301.07059	3.9
303.08719	0.7
406.27502	0.5
409.09000	11.2
427.09958	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	579.1497
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	2.6
56.75450	0.5
62.03269	0.5
65.03922	0.9
67.01834	0.8
67.05481	1.4
68.99763	6.2
78.96324	0.6
81.03391	3.7
85.02895	1.0
91.05466	2.8
93.03409	1.0
95.04937	3.6
99.04418	1.0
103.05396	0.8
104.19351	0.6
105.03376	1.3
107.04942	5.4
109.02899	4.4
111.00790	2.9
111.04407	3.3
117.03391	0.9
119.04922	5.7
119.08674	0.7
121.02869	1.4
123.04405	100.0
125.54467	0.6
127.03893	99.8
131.04907	4.1
132.37390	0.7
135.04396	44.9
137.02338	5.1
137.05960	1.1
139.03877	34.0
141.06963	1.0
143.04898	1.2
143.86371	0.7
145.06433	0.7
147.04390	14.3
149.02339	5.3
149.05960	2.6
151.03886	5.8
153.06973	0.6
155.04881	1.3
159.04427	4.8
161.05952	7.0
163.02496	1.3
163.03876	38.4
165.05437	7.5
167.03397	5.5
169.06448	1.5
173.05925	5.6
175.03859	3.0
177.05435	4.0
179.03348	5.6
179.07072	1.2
181.04947	1.5
181.06421	0.9
183.04402	1.0
185.06020	1.1
187.03830	7.7
187.07565	0.7
189.05472	5.4
191.03354	9.9
193.04933	7.2
197.05975	4.2
201.05463	9.6
203.03365	11.3
203.07030	1.6
205.04918	2.7
207.06439	1.3
213.05496	3.8
215.03264	0.8
215.07014	3.8
217.04953	3.1
225.05367	0.9
229.05002	7.6
231.06497	3.0
232.68036	0.6
233.04420	1.3
241.04961	3.1
243.06505	6.1
245.04449	15.1
247.05959	13.4
253.04959	2.9
255.06546	2.8
257.04410	19.9
258.05161	2.7
259.05984	5.7
269.04324	3.0
271.05914	17.8
275.05426	8.9
283.06006	5.2
285.07483	1.4
287.02457	1.2
287.05441	25.4
289.07028	10.3
291.08521	8.3
299.05484	5.7
301.06979	5.2
303.08505	2.8
313.06851	0.7
333.09787	0.7
354.23291	0.6
409.09070	25.1
411.10788	2.7
421.08865	1.0
427.10098	3.9
435.10669	2.5
439.10016	4.2
453.11676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
54.14458	0.5
55.01858	2.3
65.03934	0.7
66.26272	0.5
68.99758	5.5
81.03400	2.9
81.05975	0.5
82.83313	0.5
89.03894	0.6
95.04929	1.2
99.04444	0.7
107.04935	3.5
109.02866	3.2
111.00760	1.3
111.04437	3.3
116.63522	0.6
117.03440	0.6
119.04909	0.9
121.02808	1.4
123.04403	41.7
127.03893	100.0
131.04895	2.7
131.05769	0.6
133.06418	0.7
135.04391	39.2
137.02316	3.4
139.03880	45.8
141.06938	0.9
147.04417	5.5
149.02316	3.3
149.05978	2.2
151.03891	7.6
155.04887	1.0
159.04388	4.1
161.05923	4.7
163.03870	34.4
165.05467	4.4
167.03384	10.3
169.04996	0.6
169.06398	2.1
173.05957	3.9
175.03937	4.7
177.05417	4.0
179.03345	3.7
181.06401	0.9
183.04355	0.9
185.05916	2.2
187.03838	7.9
189.05438	2.3
191.03346	13.1
193.04962	4.9
197.05928	5.7
201.05403	9.0
203.03336	10.3
203.07057	1.4
203.85100	0.7
205.04918	3.7
207.06432	0.6
213.05464	0.8
215.03416	2.2
215.07018	5.0
217.04924	1.2
225.05399	1.0
229.04950	8.5
231.06512	1.1
233.04442	5.0
241.04909	1.0
243.06474	5.3
245.04399	5.5
247.05930	10.4
251.05518	1.4
253.05035	0.9
255.06586	1.0
257.04367	10.0
259.05978	6.3
269.04349	2.7
271.05972	14.1
275.05408	9.5
283.05960	4.7
287.05469	15.6
289.07037	7.6
291.08603	7.5
299.05417	2.3
301.06940	6.1
303.08218	0.8
377.89789	0.6
377.95471	0.7
409.09119	14.8
411.10760	1.2
427.10233	5.1
556.69745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
56.96561	8.7
57.07068	0.3
59.04992	0.2
67.05486	1.5
69.07056	1.1
71.95243	0.9
74.69771	0.3
79.05467	1.0
81.07041	4.1
83.08601	0.3
91.05444	1.7
92.05784	0.2
92.09309	0.2
93.07025	2.5
93.78495	0.2
95.04948	0.4
95.08614	3.2
98.97567	100.0
99.97980	0.4
104.41164	0.2
105.07012	6.5
107.08591	2.9
109.00034	0.2
109.10149	4.0
113.08611	0.2
116.44396	0.3
116.98604	95.8
117.07001	0.3
119.08563	8.3
121.06344	0.2
121.10170	2.1
122.77508	0.2
123.11674	2.0
133.10138	3.8
134.99640	55.7
135.11700	0.5
140.00174	2.1
145.10153	0.3
147.11667	7.9
149.13287	0.2
153.00693	8.3
158.01225	2.1
159.11736	0.3
160.12468	0.2
161.13237	2.4
175.14827	0.2
193.08321	0.9
203.17935	7.6
205.51335	0.2
212.80814	0.2
221.18962	0.3
261.14554	0.4
275.12491	0.3
277.14166	0.4
289.13998	0.3
291.15546	0.3
293.14450	0.4
301.14828	0.4
313.16711	0.4
319.15726	22.6
320.16031	0.3
337.16800	75.5
338.17136	1.3
355.17865	55.5
356.18033	0.4
360.18497	1.8
373.18869	1.8
378.19421	2.0
575.36627	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	576.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13105	0.2
53.83107	0.3
54.38609	0.2
54.81507	0.2
55.01859	0.5
63.57426	0.2
64.33244	0.3
72.40770	0.2
79.05463	1.4
81.07036	1.0
91.05466	5.3
93.07018	0.5
94.04156	1.7
95.04939	1.5
103.05447	5.7
105.07011	3.7
107.04941	1.4
109.06482	1.2
115.05436	1.7
117.06979	1.3
119.04935	5.1
121.06487	1.4
122.03622	8.0
123.04375	0.4
123.07995	0.5
127.07501	0.3
128.06189	1.2
129.06955	2.1
131.04906	11.2
131.08554	1.1
132.05630	0.4
133.02824	1.8
133.06480	3.7
135.04369	0.6
135.08044	2.0
136.05177	0.5
137.05956	100.0
138.06345	1.1
141.06958	1.0
143.04904	0.4
143.08545	1.1
144.05647	0.4
145.06462	2.2
146.03641	0.4
147.04402	3.7
147.08018	0.6
149.05957	3.2
151.07526	12.9
153.06995	0.5
157.06445	1.5
158.07234	0.4
159.08025	1.6
160.05171	2.0
161.05945	9.8
162.06761	1.2
163.07512	11.6
165.06982	1.2
165.09100	0.6
166.07785	0.3
167.08542	1.8
169.06526	0.5
171.08047	1.7
173.09644	0.5
174.06709	1.9
175.07516	13.2
176.08286	0.3
177.09030	1.1
178.07832	0.4
179.07018	0.3
179.08583	1.0
181.06464	0.6
181.10094	0.4
187.07506	3.8
188.08301	0.7
189.09071	4.9
190.07716	0.5
191.08516	0.3
193.06470	1.5
194.07214	0.6
195.08020	2.9
196.08769	0.5
198.06738	0.4
199.07632	0.5
201.09045	2.5
202.07739	0.4
203.08669	0.6
203.10651	2.1
205.06383	1.1
205.10120	1.2
207.08067	1.2
207.10072	0.4
209.05974	0.5
209.09657	0.4
210.06816	1.0
212.08365	0.6
213.09097	1.7
215.08577	0.4
218.07248	1.6
219.08025	0.5
219.10078	0.3
221.05956	1.4
221.09598	1.1
222.06689	0.3
223.07529	1.2
224.08315	1.0
225.09050	1.9
227.06958	0.4
227.10637	3.8
231.08054	0.5
232.08823	0.4
233.06021	0.6
233.09566	4.4
234.06786	0.3
235.07533	0.6
236.08398	0.3
237.08981	0.5
238.06320	0.4
239.10713	0.6
241.08574	0.5
245.09413	0.4
247.07507	0.4
249.09088	1.5
250.09857	0.6
251.10677	1.0
252.07802	0.5
253.08629	1.8
255.10144	1.7
257.11752	0.6
261.09036	3.9
265.08609	1.7
265.12170	0.5
267.10007	2.1
275.10556	1.1
278.09366	0.5
281.11572	1.1
283.13135	0.8
285.11337	1.9
287.12820	3.7
293.11627	2.1
297.11258	1.8
299.12732	1.7
301.51923	0.3
311.12747	3.6
313.14282	1.3
315.12064	0.4
325.14215	1.9
329.13806	1.5
337.14386	1.2
339.15948	0.3
349.14429	0.6
351.15814	4.9
363.15726	0.5
369.17010	2.1
381.16751	1.8
443.18201	0.4
475.21121	3.7
487.20801	1.2
493.22235	4.2
505.21887	1.3
529.70392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40506	0.6
53.02242	0.7
55.01855	1.6
55.05500	4.5
56.96553	12.5
59.04982	1.0
67.05494	8.3
69.03426	1.0
69.07049	6.5
71.04986	1.1
71.95222	1.1
79.05461	5.5
81.07042	11.5
83.04969	1.2
91.05455	6.2
93.07029	22.2
95.04922	3.8
95.08570	7.8
98.97564	100.0
105.07035	10.2
107.08557	11.8
109.06496	1.6
109.10148	10.3
109.82446	1.0
116.98603	95.8
119.08553	8.3
121.10127	3.8
123.08048	1.5
130.45509	0.9
133.10123	4.1
134.99640	66.4
135.11650	5.7
140.00111	0.9
145.01759	1.2
145.10110	2.2
147.11652	4.3
153.00665	14.3
155.04994	0.9
159.03305	1.9
201.04312	1.8
201.07901	1.5
229.11063	1.7
238.67731	1.0
277.14651	1.3
295.15866	1.2
301.14679	37.1
319.15756	39.1
325.12979	1.1
337.16785	89.8
426.04810	1.0
435.52954	1.0
575.31519	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	575.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40506	0.6
53.02242	0.7
55.01855	1.6
55.05500	4.5
56.96553	12.5
59.04982	1.0
67.05494	8.3
69.03426	1.0
69.07049	6.5
71.04986	1.1
71.95222	1.1
79.05461	5.5
81.07042	11.5
83.04969	1.2
91.05455	6.2
93.07029	22.2
95.04922	3.8
95.08570	7.8
98.97564	100.0
105.07035	10.2
107.08557	11.8
109.06496	1.6
109.10148	10.3
109.82446	1.0
116.98603	95.8
119.08553	8.3
121.10127	3.8
123.08048	1.5
130.45509	0.9
133.10123	4.1
134.99640	66.4
135.11650	5.7
140.00111	0.9
145.01759	1.2
145.10110	2.2
147.11652	4.3
153.00665	14.3
155.04994	0.9
159.03305	1.9
201.04312	1.8
201.07901	1.5
229.11063	1.7
238.67731	1.0
277.14651	1.3
295.15866	1.2
301.14679	37.1
319.15756	39.1
325.12979	1.1
337.16785	89.8
426.04810	1.0
435.52954	1.0
575.31519	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	575.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17287	0.2
51.01506	0.2
55.05521	0.3
56.96555	8.3
57.71244	0.2
58.14526	0.2
64.34117	0.2
67.05487	0.5
69.07039	0.9
71.95242	1.1
79.05474	0.6
81.07020	2.6
81.37958	0.2
83.08627	0.4
91.05470	1.8
93.07011	1.4
95.04980	0.4
95.08596	2.2
98.97561	100.0
105.07007	6.0
107.08596	2.2
109.10139	2.8
116.98599	85.9
117.07074	0.2
119.08555	7.7
121.10120	1.6
123.11671	1.9
131.08592	0.3
133.10098	3.6
134.99635	41.0
135.11702	0.3
137.09653	0.2
140.00209	1.9
147.11673	6.9
153.00691	5.8
158.01230	1.1
161.09483	0.3
161.13213	1.6
173.79185	0.3
175.14819	0.4
203.17941	6.9
277.14139	0.3
301.14575	1.1
319.11826	0.4
319.15704	20.6
337.16782	67.5
338.17050	1.0
355.17847	51.3
356.18237	0.3
360.18399	1.1
373.18997	2.1
378.19458	2.0
575.36505	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	575.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71329	0.4
55.05501	1.2
56.96558	11.2
57.07064	0.7
60.22904	0.6
67.03888	0.5
67.05489	1.3
69.07048	1.3
69.68456	0.5
71.04967	0.8
71.95249	0.9
73.99366	0.5
79.05482	2.2
81.07044	5.6
83.08593	0.7
87.63161	0.6
91.05460	5.0
93.07047	4.6
95.04957	2.6
95.08579	4.3
98.97562	89.4
105.07012	15.3
107.08577	3.5
109.06508	0.8
109.10142	2.5
116.98605	92.4
117.07013	0.6
119.08561	19.1
121.10124	3.8
123.11680	0.9
123.62453	0.6
125.09692	0.7
131.08530	0.9
133.10121	4.5
134.99641	66.1
135.11711	1.3
137.09596	0.9
140.00180	1.4
142.56361	0.6
145.10037	0.8
147.11681	6.4
153.00702	11.1
155.22847	0.7
158.01236	2.3
161.13156	1.0
177.08829	2.1
182.67949	0.5
193.08324	0.7
203.17905	5.0
204.17876	0.5
208.79881	0.6
233.11559	1.0
251.49156	0.6
275.16196	0.7
277.14328	0.8
301.14786	1.2
307.15039	0.9
313.12988	1.0
319.15765	34.1
320.16318	0.6
337.16800	100.0
341.15991	1.0
355.17868	39.1
360.18280	1.3
378.19495	3.1
459.23676	0.5
575.30133	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	575.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.4
56.96557	22.3
57.07059	2.1
67.05506	0.6
69.07034	0.6
69.81712	0.3
71.95256	0.7
74.97594	0.7
79.05460	0.7
81.07034	2.2
82.07356	0.4
85.06528	0.7
86.13924	0.3
91.05446	1.5
93.07001	2.5
95.04961	0.4
95.08588	0.7
98.97561	48.0
105.06998	0.8
107.08567	0.9
115.00684	5.6
116.98599	41.9
119.08572	0.7
121.10117	1.8
127.00662	2.2
133.01692	5.0
134.99641	24.3
140.00159	0.4
141.02196	2.4
145.01740	3.0
146.65158	0.3
151.02751	0.6
153.00684	3.6
153.01942	0.4
157.05319	1.3
158.01178	0.8
159.03268	6.0
161.04829	1.9
163.02728	0.5
169.01678	0.5
169.05327	0.4
171.03296	1.5
173.04802	0.5
175.06369	10.0
177.04295	1.4
177.08806	0.7
179.05820	0.6
181.05272	0.6
183.03195	1.6
185.04797	1.8
187.02773	0.7
187.06377	5.3
193.05563	1.1
193.07457	5.8
199.06453	2.1
201.07974	1.6
203.05847	0.6
205.07483	2.3
207.03247	0.4
209.04886	0.4
209.08395	3.1
211.06458	2.9
213.07880	2.9
215.09540	4.9
223.06479	0.5
225.04294	0.6
227.09511	22.5
231.09033	0.5
233.10683	2.0
237.07945	0.6
239.09540	0.6
241.07358	2.0
243.12669	2.0
245.10558	12.4
259.08423	0.5
267.12631	5.6
269.10461	0.9
277.14682	6.2
279.12631	2.0
285.13651	2.3
287.11682	0.5
293.14240	1.2
295.15747	17.4
297.13687	1.9
313.16733	4.5
319.15756	47.0
320.16043	0.5
337.16794	100.0
338.17087	1.7
355.17856	8.2
378.19479	2.0
515.33734	1.7
575.31641	0.8
603.70978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48506	0.4
51.66328	0.3
55.01852	0.4
55.05505	7.2
56.60394	0.4
57.03427	0.6
57.07064	2.8
61.02893	0.5
65.03923	0.5
67.05497	22.6
69.03401	0.7
69.07047	5.3
71.04971	3.6
79.05476	5.1
81.07040	57.1
83.04980	0.6
83.08594	3.0
85.02883	6.6
85.06520	2.3
91.03963	0.5
91.05466	3.2
93.07011	5.8
95.04932	0.5
95.08584	39.0
97.02866	2.0
97.06496	1.9
97.10159	3.4
99.08104	0.9
105.07016	5.9
107.08627	3.4
109.06499	0.8
109.10136	4.0
111.08021	0.7
114.37224	0.5
119.08574	7.7
119.40182	0.4
121.10109	3.0
123.08055	3.1
127.07549	0.7
129.07135	0.4
133.10114	5.4
135.11688	13.7
137.13237	100.0
137.81819	0.5
151.14804	0.8
161.13229	16.0
167.07091	0.6
179.14281	14.9
197.15358	7.2
197.38370	0.5
215.16394	42.0
231.04073	0.5
233.17430	35.1
390.00082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
56.47997	2.0
56.96540	2.8
75.93245	2.3
79.05438	2.9
81.07036	9.8
83.04942	2.5
91.05476	5.2
92.19916	2.4
93.07011	13.9
95.04959	4.2
105.06987	7.4
107.08614	4.2
109.06535	3.9
109.10135	2.7
112.64610	2.2
119.08543	8.5
121.10133	2.4
139.01575	3.0
143.83815	2.4
146.98778	2.5
149.05794	5.3
175.07425	2.5
187.44478	2.2
192.55324	2.4
211.71355	2.3
218.72855	2.2
219.09938	29.0
291.15738	2.6
297.07999	2.6
307.12418	100.0
307.15619	27.5
575.31567	5.5
581.15674	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	574.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48953	0.4
55.05505	0.5
57.74617	0.4
79.05458	0.9
81.07056	0.6
83.51099	0.6
88.15005	0.5
91.05465	5.5
92.09072	1.1
93.06992	0.5
95.04961	0.6
96.49730	0.5
103.05463	1.2
105.07025	1.0
107.04961	0.7
109.06490	1.0
110.87438	0.4
115.05427	1.0
116.62276	0.5
117.06974	0.7
119.04941	7.1
121.06519	0.8
122.03636	3.3
125.05907	0.6
128.06224	3.1
129.06973	5.5
131.04912	3.2
131.08527	3.9
133.02852	0.8
133.06499	0.6
135.04395	0.5
137.05965	59.2
141.06978	2.8
142.07777	0.6
143.08624	0.6
144.05644	4.0
145.06490	1.2
146.07227	0.5
147.04396	5.8
149.05988	3.2
150.06879	0.6
151.03918	0.6
151.07562	6.1
153.07057	1.2
154.07747	0.6
155.08553	2.7
157.06487	2.1
158.07249	2.1
159.08049	5.2
160.05251	2.3
161.05945	6.3
161.09586	2.1
162.06763	1.0
163.07521	1.1
165.07004	1.0
167.08531	1.2
169.06464	1.9
170.07240	2.0
171.08009	5.4
172.05276	0.7
172.08852	1.0
173.05980	0.7
173.09573	1.2
174.06706	2.8
175.07518	9.7
181.06438	1.2
182.07278	2.8
183.08014	2.6
184.08804	1.9
185.09583	5.4
186.06715	1.1
187.07530	9.6
187.11108	0.9
188.08324	0.7
189.09056	4.7
191.07002	2.4
194.07274	0.6
195.08081	0.9
197.09613	4.5
198.06731	8.6
199.07471	5.6
200.08307	1.0
201.09055	3.9
203.08669	0.8
203.10602	0.9
205.08557	0.7
209.09641	0.7
210.06668	1.2
211.07475	2.1
212.08316	1.2
213.09076	14.1
215.08786	0.7
215.10568	4.4
217.08388	0.8
217.10257	1.8
219.10149	2.1
225.09032	7.2
227.10645	0.7
229.10217	0.8
231.07973	2.5
231.10091	1.7
232.08789	0.7
233.09560	0.8
237.09140	0.6
242.09509	0.7
243.07834	0.9
243.10101	11.8
245.09575	3.4
245.11761	0.8
246.10341	0.9
247.07463	1.0
248.08275	0.8
255.10103	2.4
257.09543	2.2
259.07385	0.8
261.09030	2.1
263.10699	1.2
264.07764	0.7
269.09589	0.7
271.07480	0.9
273.11243	20.8
274.09836	1.1
275.10559	1.1
277.08493	3.0
277.12103	1.1
279.10269	0.7
285.09061	2.1
286.09756	0.7
287.10544	0.8
288.07486	0.6
289.08633	2.1
289.12262	2.1
290.09515	0.8
291.10126	4.0
292.10913	0.8
293.08368	1.3
293.11533	1.1
295.09573	0.8
301.08542	1.0
302.09259	0.9
303.10144	2.4
305.08017	0.8
305.11685	2.9
306.08789	0.7
307.09744	5.8
308.10434	2.1
309.11380	1.0
315.09976	0.5
317.11703	3.0
319.09668	2.0
319.13177	0.6
321.11017	3.7
323.12744	0.6
333.11115	2.5
334.11963	0.8
335.12604	2.4
336.13727	0.7
339.12280	0.9
346.11914	0.7
349.14316	1.1
351.12189	2.4
353.13858	2.0
354.14560	4.8
361.14310	2.3
367.15280	5.2
379.15326	6.3
397.16400	100.0
398.16815	0.9
415.17426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.05351	0.5
55.01865	2.5
57.16419	0.4
65.03939	0.6
65.29069	0.5
67.05489	0.7
71.72160	0.5
77.03896	0.5
79.05463	3.4
81.07039	0.7
91.05460	23.7
93.07017	2.1
94.04178	1.2
95.04945	8.6
103.05448	3.8
105.03417	0.6
105.04501	0.6
105.07002	7.3
107.04939	11.8
109.06515	2.7
115.05444	3.5
115.65891	0.6
117.07000	3.3
119.04922	22.6
119.08543	0.5
121.06500	10.2
122.03611	5.0
123.04420	3.8
123.08053	2.8
128.06212	1.2
129.06970	10.6
130.04112	0.9
131.04903	7.2
131.08537	2.6
132.05678	1.0
133.02826	8.6
133.06468	4.9
134.03613	0.6
135.04379	3.3
135.08052	3.4
136.05144	1.1
137.05956	100.0
141.06982	0.6
143.04892	1.9
144.05693	2.3
145.06470	4.1
146.03613	1.9
146.07268	3.0
147.04396	18.7
147.07991	3.4
148.05177	4.1
149.05968	9.6
149.09576	0.7
150.06798	1.0
151.03905	2.9
151.07524	44.5
152.06155	1.1
153.06964	1.1
155.06015	0.7
157.06456	6.8
158.07336	0.8
159.04442	0.7
159.08057	1.8
160.05176	2.2
160.08858	0.6
161.05949	93.9
161.09581	19.3
162.06734	5.4
163.07495	8.5
165.05458	2.1
165.06947	5.1
165.09129	3.5
166.07809	1.0
167.07230	0.8
167.08527	4.4
169.06514	0.9
171.08064	0.6
174.06766	6.6
175.07509	28.4
176.06073	0.5
177.05478	0.7
177.06932	1.8
177.09041	4.8
177.34959	0.5
178.07697	1.9
179.06979	5.4
179.08539	2.7
181.06445	5.4
181.08566	0.6
181.10051	1.0
182.07242	2.8
183.08025	1.1
185.05945	0.8
187.07538	3.0
188.08356	0.8
189.09073	47.6
190.07719	1.0
191.07018	1.1
191.08539	7.1
191.10222	0.7
193.06451	5.6
193.08134	0.5
193.10110	2.4
194.07216	5.2
195.08035	13.2
195.10138	7.3
196.05125	0.8
196.08862	2.1
197.05983	0.8
197.09622	2.5
199.07549	1.0
201.09082	0.9
203.08623	0.8
203.10474	0.5
205.06429	3.2
205.10303	0.5
206.07210	0.7
207.08057	5.3
207.10155	27.1
208.05176	0.5
208.08815	3.0
209.05984	2.8
209.09608	3.0
210.06764	4.5
211.07489	6.6
212.08289	3.8
213.09099	2.0
215.08360	0.6
218.07275	2.4
219.04596	0.7
219.08015	13.2
219.10143	35.8
220.08789	2.1
221.05957	8.0
221.09544	4.8
222.06763	3.6
223.07498	8.8
223.10913	3.7
224.08223	3.9
225.05411	1.9
225.09087	11.6
226.06210	0.9
226.09764	0.6
227.07092	4.7
227.10637	6.5
233.09721	0.9
234.06676	2.8
235.07413	4.9
236.04684	0.7
236.08292	4.8
237.05385	1.8
237.09033	10.1
238.06145	3.5
238.09846	1.1
239.06920	5.4
239.10637	2.2
240.07797	5.1
241.08583	2.8
242.09282	1.0
247.07526	7.4
248.08255	3.7
249.05495	0.6
249.09058	5.4
250.06219	0.9
250.09753	0.5
251.06937	7.0
251.10597	8.1
252.07729	3.5
253.08521	20.9
253.12161	3.3
254.09300	2.9
255.06494	5.8
255.10101	9.1
255.12923	0.6
255.13750	0.6
257.11798	0.7
261.09024	1.1
263.06995	0.9
263.10602	1.0
264.07834	3.8
265.08545	17.7
266.09167	1.0
267.10120	10.0
268.07297	2.7
268.10718	1.9
269.08011	4.7
269.11603	2.9
270.08801	7.0
271.09619	0.7
273.11240	0.9
273.64825	0.6
276.32855	0.5
277.08508	3.1
277.11951	1.6
279.10059	12.5
279.12817	0.7
280.07327	0.8
280.10892	1.2
281.08023	3.6
281.11676	2.4
282.08722	1.1
283.09576	9.5
283.13239	3.0
284.10403	0.6
285.11221	11.8
287.12723	4.5
291.10123	0.7
293.08182	0.6
293.11328	0.8
295.09692	2.6
296.10437	6.0
297.11169	27.7
298.11719	0.8
299.12689	3.8
301.14273	0.6
305.11685	0.9
309.11154	4.3
311.12698	11.8
313.10876	0.8
313.14252	5.1
315.12283	3.7
317.13910	1.2
323.12720	5.1
327.12405	1.5
329.13776	33.8
330.14456	1.1
331.15292	14.7
335.12799	0.9
337.14230	6.3
341.13776	1.2
342.14468	0.7
343.15277	1.0
349.14178	2.6
355.15317	21.3
367.15289	10.4
385.16571	0.7
447.17789	0.9
461.19388	5.6
473.19522	0.7
479.20535	10.2
491.20712	4.3
509.21530	5.4
602.24231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86339	6.8
53.91979	6.6
54.81937	6.6
61.04747	6.4
61.76168	6.2
63.07165	6.3
67.05487	8.3
69.07056	11.1
72.23815	7.5
79.05441	10.3
81.07027	35.9
87.26086	9.0
87.65161	7.6
91.05464	97.7
93.07035	17.0
93.37798	7.6
95.08580	41.8
105.07018	100.0
107.08570	12.6
109.10163	13.7
117.07033	28.2
119.08569	87.1
121.10190	11.0
128.06224	7.8
129.06998	73.2
131.08583	61.6
131.09424	8.3
133.10059	12.5
135.11662	12.3
141.06990	10.3
143.08551	14.1
145.10109	16.1
149.39983	7.5
157.06482	39.5
157.10086	41.1
159.08023	14.6
181.10081	35.5
183.11682	10.0
195.11665	9.4
199.14857	17.6
211.05113	7.1
215.17830	9.8
264.10751	6.6
333.25766	87.7
361.25058	16.4
592.62714	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	572.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90649	0.2
55.01854	0.6
57.03428	0.4
63.64129	0.2
67.05482	0.2
69.03408	1.2
78.04692	0.5
79.05468	2.1
81.03361	0.3
81.07027	0.4
85.02873	2.0
90.79469	0.2
91.05450	2.6
93.07014	0.6
94.04169	0.5
95.04934	0.5
95.08578	0.3
97.02861	0.4
103.05434	2.9
104.06234	0.3
105.07008	8.6
106.04228	0.3
107.04932	2.0
107.08571	1.0
109.06480	0.4
115.05439	2.4
117.07009	2.5
119.04908	1.4
119.08598	0.3
121.06470	1.1
122.03617	1.8
123.04391	1.3
123.08051	1.7
124.05159	0.6
125.05926	0.4
128.06174	0.4
129.06966	0.4
131.04897	5.0
132.05685	0.5
133.06464	13.3
135.07996	2.4
137.05952	30.9
143.04950	0.4
143.08528	1.3
145.06479	1.2
147.07968	0.5
149.05975	0.5
149.09575	0.4
151.07520	11.7
152.04662	0.5
160.05185	0.4
161.05939	10.4
162.06699	1.7
162.55397	0.3
162.69778	0.3
163.07518	8.2
165.09029	0.4
167.06998	29.7
168.07271	0.3
171.08000	1.4
174.06711	0.4
175.07526	4.3
177.09073	100.0
178.06163	1.0
178.09427	0.6
179.07098	0.3
181.08511	0.3
187.07483	1.0
188.08255	0.3
189.09062	1.7
193.08566	48.4
194.08994	0.4
195.10117	5.3
201.09068	0.3
203.10612	2.5
219.10019	0.9
220.10622	0.4
221.11687	15.6
233.11703	0.4
293.11557	0.5
325.14273	2.0
357.16919	4.9
375.17960	8.4
393.18924	1.4
394.12759	0.3
402.15930	0.3
447.02493	0.3
449.93497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37505	1.0
61.02927	1.4
69.03408	3.0
76.88747	1.1
77.75478	1.0
79.05447	1.1
85.02879	16.3
86.62775	1.3
87.31514	1.3
97.02852	2.5
105.07681	1.1
109.06447	1.2
115.05434	2.1
117.06982	5.3
122.03625	6.1
131.04909	8.0
133.02838	10.5
137.05959	87.9
143.04910	2.9
145.06436	6.8
149.05957	7.0
151.03899	5.9
160.05182	14.7
161.06004	2.4
162.73427	1.3
163.07520	2.9
165.05446	18.6
171.04340	1.3
175.07518	100.0
177.05397	7.4
177.08998	3.0
178.06279	1.8
187.07497	9.1
189.07022	2.1
191.06982	9.8
191.08560	6.2
203.07004	52.1
205.06602	1.5
205.08592	2.3
206.07150	1.5
215.06961	2.1
218.07196	2.7
219.07991	18.6
221.06111	1.8
221.08064	11.8
231.08180	1.5
233.08006	2.4
234.06693	5.7
235.07527	2.0
236.08269	5.7
237.09071	7.2
246.06679	5.9
247.07521	12.9
249.09012	14.2
250.06111	1.7
251.08574	2.6
251.11086	11.5
261.09088	15.1
262.06131	4.8
262.09720	1.2
263.06964	5.2
264.07727	12.9
265.08524	22.2
271.09668	2.5
275.06860	2.2
277.08508	32.7
278.09198	8.4
279.10080	26.5
279.29898	1.5
281.08075	2.7
282.08746	1.9
283.09528	5.0
289.08542	14.1
290.09317	6.1
291.10159	1.7
292.07260	3.0
293.08075	4.4
294.08804	4.8
295.09735	1.5
296.10345	2.1
297.11212	15.5
306.08755	8.8
307.09613	17.2
309.07721	2.6
309.11026	21.7
311.12708	22.9
321.11218	35.1
324.09912	1.8
339.12210	83.0
357.13327	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	572.27
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71685	0.2
57.03431	0.3
64.52992	0.2
66.44157	0.2
67.05496	0.4
69.03408	0.5
69.91301	0.3
79.05479	2.3
81.03404	0.2
81.07017	0.3
85.02873	2.1
91.05471	2.7
93.06999	1.5
95.04893	0.4
95.08602	0.3
97.02874	0.6
100.24627	0.3
103.05439	1.6
105.06369	0.4
105.07009	9.4
107.04933	1.9
107.08559	0.7
109.06449	0.4
115.05412	2.4
117.06967	2.8
118.92180	0.3
119.04932	1.2
121.06482	1.5
122.03620	0.4
123.04397	1.4
123.08016	1.3
124.05193	0.3
128.06186	0.6
131.04907	2.2
131.08527	0.6
132.05707	0.5
133.06458	10.9
135.07990	1.6
137.05954	17.5
143.06020	0.6
143.08508	1.1
145.06453	1.0
149.05916	0.5
149.09613	0.4
151.03886	0.3
151.07515	11.2
152.04739	0.3
159.07980	0.4
161.05948	10.1
162.06691	1.6
163.07500	5.4
167.07001	22.0
168.07253	0.4
171.07977	1.3
175.07500	3.3
177.09065	100.0
178.06151	1.4
178.09447	1.2
181.08530	1.1
187.07651	0.4
189.09032	0.7
193.08560	45.3
195.10130	6.0
203.10661	1.1
219.09930	0.4
221.11691	15.5
325.14136	0.7
357.16931	3.3
375.17944	6.9
382.83859	0.4
481.81772	0.3
524.75623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05515	0.3
57.03419	0.5
61.02908	0.7
65.03904	0.4
69.03412	1.8
69.58157	0.3
71.04955	0.4
73.02904	0.3
73.05138	0.2
79.05475	0.5
81.03387	0.5
81.07030	0.4
85.02892	4.8
85.06543	0.3
91.05458	5.5
97.02887	2.3
103.05463	0.5
105.07075	0.3
107.04921	0.6
109.02833	0.3
109.06486	0.3
115.05445	0.5
116.13176	0.2
117.07018	1.7
119.04919	19.7
121.10118	0.6
122.03609	2.7
122.11372	0.3
125.05943	0.4
127.03902	0.4
131.04865	2.7
133.02829	2.6
133.06447	0.4
135.04401	1.7
135.96700	0.3
137.05956	49.1
143.04912	1.8
145.04973	0.3
145.05382	0.4
145.06450	3.9
147.04390	100.0
148.05118	0.3
149.05945	3.4
151.03897	1.5
151.07458	1.0
153.05452	0.5
160.05182	5.4
161.05904	1.5
163.07523	2.3
165.05455	4.6
167.06993	1.3
173.05914	0.6
175.07507	23.2
176.04648	1.2
177.05440	2.6
177.09094	1.7
179.07002	15.1
187.07465	2.8
188.04625	0.5
189.07021	0.7
191.06993	5.0
191.08514	1.2
197.08058	2.3
203.07002	17.7
205.06613	0.5
205.08578	1.5
206.07237	0.3
211.07558	0.3
215.07036	0.5
217.06511	1.6
218.07234	1.3
219.08002	3.4
221.08057	3.4
222.06665	0.4
233.05913	0.4
233.08014	1.4
234.06651	2.4
235.07491	0.4
236.08351	1.1
237.09084	1.2
240.07745	1.2
246.06674	1.5
247.07545	2.4
248.08238	0.5
249.09035	5.2
250.09885	0.3
251.09065	2.5
251.10986	1.4
256.07214	0.4
261.09052	4.3
262.06140	1.8
263.06976	1.3
264.07697	1.8
265.08496	2.7
266.09253	0.3
268.07175	0.4
271.09576	3.1
275.06952	0.6
276.07791	0.5
277.08548	16.6
278.09393	1.8
279.10080	4.5
281.08038	0.5
283.09558	1.7
289.08557	3.2
290.09326	0.6
291.10260	0.5
292.07202	0.3
293.07974	0.4
293.11548	0.5
294.08878	1.8
295.09586	1.1
296.10394	1.1
297.11166	3.1
306.08957	2.3
307.09610	3.6
309.07846	0.6
309.11127	16.6
309.36679	0.3
311.12671	4.2
321.11133	7.5
327.12360	1.4
332.51550	0.3
339.12204	18.3
354.73145	0.4
357.13242	7.8
553.44092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83757	0.3
53.03943	1.0
55.01862	1.8
57.03422	2.2
58.65628	0.4
61.02909	5.4
61.95081	0.4
65.03937	0.4
69.03416	8.2
71.04986	1.0
73.02908	2.1
79.05476	3.1
81.03402	4.2
85.02891	30.8
87.04433	0.8
91.03912	0.9
91.05463	5.4
94.04154	2.1
97.02860	9.9
99.04423	0.8
100.33721	0.4
103.05459	0.8
104.07049	0.5
105.03236	0.5
107.04920	2.5
109.02870	2.5
115.05436	2.4
117.05370	0.4
117.06989	4.1
119.04921	18.3
120.22058	0.5
121.06518	0.7
122.03622	6.7
125.05972	1.7
127.03902	3.6
131.04904	6.3
133.02832	4.3
135.04391	2.5
137.05956	97.1
143.04880	3.2
145.04971	3.1
145.06422	5.1
147.04393	100.0
148.05052	0.9
149.05936	6.0
151.03915	3.3
151.07455	0.8
153.05438	0.9
160.05167	7.5
161.05911	2.5
162.06543	0.6
163.07457	4.6
165.05464	6.2
167.07048	3.4
171.04343	1.0
173.05952	1.9
175.07510	49.0
176.04631	0.9
177.05437	4.4
177.09029	2.7
178.06187	1.0
179.06993	15.6
180.08598	2.1
183.06549	0.9
184.22769	0.4
187.07535	4.4
188.04680	0.9
189.06938	1.8
190.06093	0.5
191.06966	10.6
191.08510	2.5
193.08395	0.4
197.08063	1.8
201.06720	0.7
203.07001	31.6
205.06642	0.7
205.08546	2.9
211.07390	0.5
215.06963	2.2
217.06537	1.5
218.07230	2.5
219.08049	6.7
221.05972	1.0
221.07944	6.9
222.06635	0.5
233.07892	3.6
234.06764	4.6
235.07457	1.9
236.08261	1.6
237.09027	3.0
240.07813	1.0
245.05986	0.6
246.06631	2.1
247.07532	6.2
248.08241	1.1
249.09048	9.2
250.06174	0.9
251.08617	6.4
251.11008	1.8
253.08395	0.6
256.07034	0.7
261.09033	6.6
262.06155	2.8
263.06934	2.2
263.24246	0.5
264.07697	2.8
265.08560	6.9
266.09274	0.5
271.09625	5.5
275.06921	0.5
277.08536	26.0
278.09189	2.8
279.06995	0.5
279.10095	7.7
281.07993	1.9
283.09476	3.4
289.08527	4.5
290.09317	0.9
291.10007	1.0
293.07892	0.6
294.08710	2.6
295.09601	0.6
296.10236	1.1
297.11121	6.6
306.08658	3.3
307.09613	5.2
308.10342	0.5
309.07758	1.7
309.11118	28.4
311.09131	0.7
311.12674	8.1
321.11182	13.1
324.09659	1.0
325.10321	0.5
327.12198	1.9
339.12204	31.0
357.13263	13.3
358.92065	0.4
540.28564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.1
57.03415	1.9
61.02900	6.0
69.03410	9.0
69.08344	1.0
73.02882	1.0
76.45676	1.3
79.05450	2.5
81.03365	1.7
82.39899	1.1
85.02891	26.1
91.05442	6.8
92.08718	2.5
94.04168	2.1
97.02872	8.1
99.04394	1.2
107.04939	2.5
109.02843	1.7
115.05409	1.9
119.04926	21.5
122.03609	4.9
127.03976	1.6
131.04889	6.0
133.02815	2.6
135.04401	1.8
137.05957	96.5
143.04945	2.6
145.04903	2.6
145.06459	6.2
147.04384	100.0
149.05934	4.9
151.03859	4.9
151.05106	1.2
160.05186	10.9
161.05928	1.6
162.19424	1.3
163.07498	2.5
165.05431	8.0
167.06975	2.6
173.05901	1.5
175.07523	50.4
176.04630	1.7
177.05424	2.8
179.07024	11.6
187.07439	2.3
191.06976	10.1
191.08511	2.0
203.05240	2.0
203.07001	33.7
205.08636	1.6
218.07210	2.6
219.07968	6.6
221.08028	7.5
233.07948	4.8
234.06665	6.5
236.08330	1.5
237.09024	2.7
246.06516	1.4
247.07472	6.7
249.08958	11.0
251.08795	3.5
251.10928	3.3
261.09003	6.6
262.06342	1.6
263.06915	2.7
264.07681	1.6
265.08539	7.9
271.09641	6.9
277.08514	35.8
278.09024	1.9
279.10117	8.3
280.98630	1.2
283.09506	4.9
289.08463	5.7
290.09027	1.8
291.09946	1.4
294.08829	2.1
297.11118	6.9
306.08734	4.8
307.09467	6.7
308.10077	1.3
309.11133	32.7
311.12741	12.5
321.11111	14.7
339.12210	35.7
357.13263	13.8
395.41296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
57.03410	0.3
61.02916	0.4
62.36800	0.3
63.09093	0.2
64.97731	0.3
65.03919	0.6
65.28913	0.3
69.03405	1.8
72.08701	0.3
75.89663	0.3
79.05472	0.6
81.03396	0.5
81.07030	0.4
81.22253	0.3
81.54964	0.3
82.11770	0.3
85.02886	5.3
91.05474	5.0
97.02846	1.6
103.05439	0.5
105.07065	0.3
107.04953	1.8
109.02838	0.5
109.06479	0.4
115.05459	0.7
117.07008	1.7
117.91117	0.3
119.04919	20.5
121.06488	0.4
122.03633	2.7
125.05958	0.5
127.03881	0.7
131.04875	2.8
133.02843	1.6
135.04356	1.3
137.05956	51.5
143.04901	1.6
145.06467	3.8
147.04388	100.0
148.04779	0.4
149.05965	3.1
151.03909	2.3
151.07509	0.4
155.04929	0.4
160.05193	5.6
161.05920	1.3
163.07533	2.0
165.05440	4.3
167.06990	0.6
171.04332	0.5
173.05974	1.6
174.06720	0.5
175.07513	22.5
176.04645	0.6
177.05449	2.1
177.09050	1.4
178.06245	0.6
179.03542	0.4
179.07001	17.6
183.06593	0.3
187.07507	2.1
188.04626	1.2
189.06949	0.7
191.06993	4.6
191.08553	1.3
197.08044	2.8
203.07001	18.7
205.08551	1.9
215.07016	1.3
217.06386	1.4
218.07175	1.4
219.07976	4.1
221.08046	3.8
233.08101	1.6
234.06720	3.4
235.07378	0.7
236.08372	0.5
237.09090	1.5
239.07031	0.3
240.07808	0.8
245.05890	0.5
246.06609	1.5
247.07544	2.5
248.08272	1.3
249.05452	0.4
249.06410	0.4
249.09065	5.8
251.08975	1.9
251.10953	1.3
253.08609	0.4
256.07190	0.3
261.06332	0.4
261.08981	3.5
262.06259	1.6
263.07037	2.0
263.21506	0.3
264.07779	1.6
265.08597	3.5
268.07077	0.4
271.09671	2.7
275.07111	0.4
277.08539	16.4
278.09229	1.5
279.07007	0.6
279.10123	4.3
283.09570	2.1
289.08609	2.4
290.09302	1.2
291.06540	0.5
291.09891	0.4
294.08835	2.0
296.10339	0.5
297.11096	2.3
299.12607	0.3
306.08777	1.9
307.09576	3.4
308.44382	0.4
309.11118	17.4
311.12665	4.9
321.11166	6.2
324.09937	0.6
327.12213	1.2
339.12201	18.0
357.13272	7.8
514.16577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31317	0.5
52.07745	0.5
52.55070	0.5
53.03942	0.8
55.01870	0.8
55.05499	4.1
56.96281	0.9
56.96556	24.2
57.07064	1.0
58.08233	0.5
63.00875	0.5
67.05483	4.3
69.07045	4.3
71.04988	2.3
71.95245	1.6
74.68156	0.7
79.05471	7.5
81.07040	19.7
82.07376	0.8
83.04976	1.6
83.08614	0.7
84.95999	2.7
85.06525	1.2
91.05463	9.4
93.07022	11.8
95.04952	5.8
95.08585	9.8
97.06477	1.4
98.97560	100.0
103.05413	1.1
105.07009	9.8
107.08575	11.2
109.06497	3.1
109.10136	4.6
116.98601	96.4
117.07001	1.6
119.08571	7.2
121.06498	0.9
121.10122	5.8
123.08042	1.0
123.11657	2.7
124.99155	0.7
131.00153	1.4
131.04901	4.1
131.08507	5.8
133.01694	1.0
133.10085	4.5
134.10445	0.8
134.99635	60.6
135.08037	1.2
135.11658	4.4
137.09653	0.8
137.13229	2.6
140.00157	1.2
143.00128	3.6
145.10101	9.8
147.08037	0.9
147.11700	2.9
149.01167	1.2
149.13232	1.4
150.07939	0.7
153.00697	10.9
157.01735	1.5
157.10086	1.6
158.01199	1.2
159.03279	0.7
159.08029	0.8
159.11674	4.3
161.01176	4.7
161.13254	1.0
173.04913	0.9
173.13197	0.8
175.02715	1.0
189.00658	1.6
195.03348	1.1
195.06888	1.2
199.02805	1.6
201.04295	4.1
201.16365	1.7
209.04800	1.0
211.06406	0.9
213.04330	3.5
213.08047	0.8
214.01306	0.7
216.72310	0.8
219.17448	1.0
221.08524	0.8
224.03412	1.5
225.07906	1.5
227.05862	4.1
227.09482	11.5
229.07512	2.9
231.05383	1.3
231.08948	0.7
233.15317	0.8
235.10063	0.9
235.16756	0.8
237.07935	1.2
239.09491	1.5
241.07458	1.3
241.11044	1.1
242.04594	10.1
245.06923	1.0
245.10556	6.7
249.11650	1.1
251.09488	0.9
253.07510	1.1
253.10977	0.8
255.08965	1.5
257.10406	1.1
260.05698	0.9
263.13040	0.8
265.11047	1.5
267.08752	0.8
267.12674	3.9
269.06857	1.0
270.07687	0.7
275.13144	5.4
277.11108	0.8
279.09061	0.8
279.12646	1.4
281.14185	4.4
282.07672	1.0
285.13452	0.7
293.14142	32.7
295.12177	1.6
299.15445	1.0
304.88394	0.7
307.15610	1.2
309.13715	1.4
311.15219	48.2
313.12756	0.9
317.14157	11.5
329.16306	21.4
334.16965	0.9
335.15207	51.5
353.16284	98.5
371.17395	3.6
376.17810	4.8
571.33081	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	570.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59042	1.1
53.03931	2.3
55.01862	2.8
55.05494	3.1
57.07056	1.7
59.04982	1.7
67.05498	13.5
69.03381	1.8
69.07048	11.1
71.04953	2.9
79.05485	16.3
81.03382	2.2
81.07040	24.4
83.04956	2.7
83.08592	2.7
89.06017	16.3
91.05453	28.8
93.07025	64.0
95.04955	13.4
95.08592	27.7
97.06505	6.1
103.05444	43.9
105.07017	80.5
107.08571	22.8
109.06492	7.1
109.10158	15.2
111.08012	1.6
114.26151	1.3
117.06982	7.1
119.08561	72.3
121.10111	50.4
123.08044	6.7
123.11647	5.0
125.05948	1.5
128.06229	1.6
129.06947	2.1
131.04910	100.0
131.08510	9.0
133.08574	4.9
133.10103	18.7
135.08022	9.2
135.11655	2.7
137.09604	5.4
137.13033	1.2
145.10100	20.2
146.10455	5.8
147.11713	15.2
149.09647	2.9
151.11163	3.3
157.10085	2.0
159.11615	5.7
161.09566	1.7
161.13249	9.2
167.10628	2.2
171.11754	2.1
173.13321	2.1
175.14674	1.3
177.11203	2.1
185.11728	1.5
199.04237	1.4
201.16400	7.0
202.16605	4.8
203.17894	13.7
219.17378	17.9
232.46184	1.5
315.15820	2.0
333.16998	2.3
335.21875	1.7
366.47055	1.5
371.22720	6.5
497.05588	1.7
499.95007	1.4
570.38153	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	571.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22201	0.6
55.05502	4.9
56.96556	25.1
57.07064	3.6
64.33521	0.7
66.37281	0.7
67.05495	9.8
67.05785	1.0
68.05833	1.2
69.03405	0.9
69.07058	7.3
71.04958	2.1
71.95256	2.1
75.78820	0.8
79.05472	10.7
81.07037	84.4
82.07386	1.7
83.04965	2.1
83.08596	1.6
84.96023	1.4
85.06544	1.0
91.05466	8.6
92.05804	0.9
92.09466	0.8
93.07032	14.3
94.07363	1.1
95.04951	4.3
95.08585	37.9
96.05273	0.8
97.06535	1.8
98.97559	75.7
99.04495	1.1
103.05456	3.7
105.07008	14.3
106.07343	1.8
107.04964	1.7
107.08575	11.8
108.08945	1.3
109.06535	4.2
109.10133	8.7
112.99126	1.7
116.98595	78.4
117.07002	1.9
119.08545	8.9
120.09003	0.9
121.06509	1.2
121.10107	5.4
123.08023	1.2
123.11681	1.8
131.00183	3.6
131.04868	8.5
131.08565	5.5
133.01706	1.1
133.10126	5.2
134.98593	1.8
134.99629	56.0
135.08008	2.2
135.11684	5.7
137.13229	20.2
139.00656	1.7
143.00151	3.9
143.08507	1.6
145.01605	0.9
145.10136	5.9
147.08038	1.4
147.11662	2.0
148.00487	1.1
149.01161	1.4
149.09602	1.3
149.33337	1.1
151.11101	1.3
153.00662	9.3
156.00937	1.1
157.01720	10.9
157.41295	1.0
159.03333	1.3
159.11626	1.9
161.01183	1.8
161.09709	1.0
162.41806	1.0
163.11130	0.9
170.99637	1.2
174.02017	1.0
175.02750	19.4
187.99825	1.3
189.00731	5.1
191.10622	1.0
193.03766	3.3
193.08672	1.2
199.02777	3.9
201.16368	1.8
215.09505	1.0
217.03773	7.8
219.06993	1.1
223.06493	1.5
227.09586	3.7
235.16832	1.0
241.11230	1.1
245.10657	2.0
251.09619	1.0
251.16345	1.1
261.11557	1.7
263.13187	1.9
265.11081	1.3
267.12662	5.2
275.13031	8.9
281.14124	7.1
282.07761	4.2
287.15231	0.9
291.12598	1.5
293.14178	30.6
294.14450	1.0
295.12094	1.3
299.15369	1.6
305.13974	1.6
309.13666	1.6
311.11853	1.2
311.15210	35.0
317.13983	2.1
329.16315	23.0
335.15207	70.6
336.15485	1.9
353.16278	100.0
371.17490	7.0
376.17786	5.2
571.33136	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	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01855	0.4
55.05507	0.4
57.03425	0.2
60.47960	0.3
61.02893	0.2
61.86594	0.2
65.39850	0.3
67.05506	0.3
69.03395	0.5
71.04965	0.3
78.04690	0.3
79.05473	2.6
81.03428	0.3
81.07043	0.6
85.02901	3.2
88.42716	0.3
91.05453	3.2
93.07024	2.6
95.04943	1.1
95.08604	0.4
96.92896	0.3
97.02854	0.6
103.05441	1.9
105.07014	10.8
106.04185	0.3
107.04964	3.5
107.08566	0.5
109.06490	0.5
109.10149	0.4
115.05433	2.1
117.07018	2.8
118.04140	0.4
119.04916	1.9
119.08564	1.1
121.06478	2.6
123.04430	1.0
123.08042	1.3
124.05207	0.4
128.06180	1.2
129.06970	4.7
131.04916	1.6
131.08533	2.7
132.05656	0.4
133.06470	12.0
133.10010	0.3
134.03618	0.4
135.04349	0.4
135.08008	1.3
137.05954	3.7
143.05959	0.4
143.08537	1.2
144.05634	0.4
145.05275	0.2
145.06425	2.2
147.04338	0.5
147.08031	1.1
148.05116	0.3
149.05940	1.2
149.09567	0.4
151.07524	9.2
153.05450	1.5
157.06465	5.6
159.07993	1.4
160.05215	1.1
161.05949	13.1
161.09547	1.1
162.06711	2.5
163.07503	2.4
165.09087	0.4
166.06236	0.7
167.07007	18.2
171.08041	0.7
174.06717	3.4
175.07503	5.0
177.09073	100.0
178.06161	0.3
178.09428	0.5
179.07036	0.4
181.08548	7.4
187.07449	0.4
189.09070	15.5
191.06987	1.4
193.08566	36.5
195.08078	0.6
195.10132	2.6
197.09515	0.5
201.09048	0.6
203.10628	1.6
207.10130	4.4
210.06702	0.4
219.08119	0.7
219.10101	5.7
221.05937	0.6
221.09557	0.3
221.11690	10.5
223.07460	0.4
223.11174	0.3
225.09087	1.3
237.11232	0.5
240.07678	0.4
247.73213	0.3
253.08514	1.3
254.09059	0.3
255.10156	0.5
257.11664	1.6
265.08536	0.3
267.10040	0.3
270.08850	0.5
279.10107	0.4
283.09531	1.7
283.13080	0.5
285.11124	1.7
299.09189	0.3
302.11618	0.6
309.11206	1.3
315.12164	1.4
317.13770	1.4
329.13849	0.3
341.13486	0.5
343.15338	2.8
361.16367	13.6
373.16415	1.1
440.88925	0.3
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
53.03927	1.1
54.60028	0.3
55.01871	0.8
57.03415	0.8
61.02893	1.0
62.55072	0.4
64.56451	0.4
69.03423	3.1
71.43723	0.4
78.04676	0.7
79.05471	3.8
81.03400	1.5
81.07017	0.5
85.02893	10.2
91.05450	7.6
91.71800	0.4
92.47152	0.4
93.07021	6.3
94.32559	0.4
95.04948	2.7
97.02872	3.5
97.37605	0.4
99.04408	0.7
102.10363	0.5
103.05442	4.8
105.07022	4.2
106.04179	0.8
107.04935	13.9
109.02898	0.6
109.06493	0.7
111.04469	0.5
115.05412	1.8
117.07020	3.6
119.04893	2.7
119.08502	0.7
120.05701	0.5
121.06483	9.1
123.04379	3.9
123.08023	0.8
124.05167	1.9
125.05966	1.0
127.03919	1.7
128.06212	1.0
129.06987	11.6
131.04915	4.5
131.08533	5.4
132.05649	0.6
133.02849	0.6
133.06458	2.0
135.04361	0.8
135.08020	3.4
137.03133	0.4
137.05956	8.8
138.06721	0.5
139.03792	0.5
140.04648	0.7
141.06943	0.9
142.73341	0.4
143.04904	0.5
144.05661	0.5
145.04892	0.6
145.06522	3.0
145.07643	0.4
146.07228	1.5
147.04395	1.6
147.08023	2.3
148.05147	0.7
149.05933	4.2
151.03928	0.5
151.07523	10.0
152.04700	1.0
153.05443	5.3
155.07045	0.5
155.08647	0.5
156.46056	0.4
157.06462	10.7
159.08044	2.1
160.05161	0.5
161.05946	17.5
161.09549	4.9
163.07503	10.6
165.06960	1.8
165.09076	5.4
166.06236	4.6
167.07005	51.3
167.08353	1.8
174.06749	6.5
175.07491	8.4
176.04698	0.7
177.06914	0.9
177.09056	6.7
179.06989	1.5
179.08521	1.9
179.10657	0.6
180.08646	0.8
181.08557	39.9
182.07269	1.8
183.08101	0.7
187.07465	1.7
189.09062	35.3
191.07016	2.0
191.08566	1.0
191.10635	0.9
193.06439	2.1
193.08510	1.0
194.07362	0.6
195.08023	3.6
195.09995	0.8
196.08749	0.5
197.09592	4.3
200.33012	0.4
203.10614	0.4
206.19125	0.4
207.08276	0.8
207.10162	4.4
208.08804	1.6
209.05952	0.6
209.09512	0.5
210.06697	3.3
211.07510	1.6
218.07243	0.7
219.07973	2.9
219.10127	3.7
221.05986	3.0
221.09499	0.5
222.06737	1.0
223.07501	4.4
223.11127	2.1
224.08253	1.6
225.09038	9.3
227.07022	2.1
228.98389	0.5
229.12198	1.0
235.07530	0.6
236.08290	0.7
237.05360	0.6
237.09094	0.6
239.07040	0.8
239.10623	1.0
240.04082	0.5
240.07695	1.9
241.08540	0.6
242.09280	0.9
247.07568	1.6
251.06976	1.9
251.10612	3.4
253.08545	6.8
254.09296	0.6
255.06425	0.8
255.10155	2.1
257.07870	0.5
257.11658	10.2
264.07767	0.6
265.08563	0.8
267.06366	0.5
267.10202	1.0
268.07230	0.7
269.07913	0.8
270.08765	1.8
271.13080	0.7
279.10202	2.6
281.07797	0.5
283.09619	5.7
283.13214	4.6
285.07990	1.3
285.11121	14.5
296.10254	1.0
297.11163	1.7
299.09387	1.1
299.12463	1.0
300.10062	0.5
302.11328	1.8
305.13766	0.7
309.11249	0.6
311.12787	3.5
314.11435	0.6
315.12283	9.7
317.13785	11.3
327.12067	0.5
329.13867	0.9
331.15320	2.1
343.15289	13.6
350.74197	0.5
361.16376	100.0
362.16898	0.6
373.16388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29276	0.3
51.66540	0.2
55.01863	0.7
57.03410	0.6
59.64688	0.3
61.02910	0.7
65.03916	0.5
66.08530	0.3
69.03418	2.2
70.06577	0.3
71.04975	0.4
73.02885	0.4
79.05470	3.3
81.03410	0.6
81.07032	0.5
85.02885	10.0
88.01441	0.3
91.05466	5.0
92.09321	0.6
93.03392	0.3
93.07018	1.3
95.04935	0.7
97.02879	2.5
105.07004	0.7
107.04948	5.4
107.08604	0.4
109.02887	0.5
109.10164	0.4
111.04417	1.8
113.93168	0.4
119.04924	13.3
119.08601	0.5
121.06477	2.0
125.05994	3.2
127.03905	0.7
129.07005	0.3
131.04926	1.2
133.02820	3.0
135.04398	5.5
135.11694	0.4
137.05956	5.0
145.04893	0.7
147.04393	100.0
149.05974	2.6
151.07565	0.4
153.05440	1.9
157.06487	0.8
163.03891	1.4
163.07582	0.3
163.11092	0.4
165.05458	2.3
167.07001	6.5
169.08499	0.3
174.06744	0.5
175.07455	0.6
177.05420	1.5
179.06999	21.2
189.09068	1.4
191.06993	0.5
195.06525	3.0
203.06956	0.5
205.04915	0.5
219.06570	0.3
219.10101	1.4
221.08203	0.3
253.08838	0.5
265.08533	0.5
265.48395	0.3
277.08368	0.6
293.07834	0.6
309.10757	0.5
325.10858	0.5
355.11728	0.7
373.12781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
69.03400	1.1
73.02898	2.6
78.62424	0.2
84.94518	0.2
85.02898	0.4
91.05443	1.5
95.08604	0.3
97.02887	0.4
103.05456	0.2
105.07009	1.0
105.07683	0.2
107.04925	1.4
115.05455	1.2
116.06199	0.2
117.07023	1.1
119.08541	0.2
121.06503	0.2
128.06201	2.0
129.06975	6.8
130.07730	0.2
131.04874	0.4
131.08551	9.9
132.05692	0.2
133.06462	1.3
133.10132	0.9
137.05948	1.8
141.06978	3.0
142.07741	0.4
143.04941	0.2
143.08553	2.2
144.05707	3.0
145.06464	3.3
145.10060	0.3
146.07198	1.0
147.04370	1.0
147.08022	0.3
153.06940	1.0
155.05984	0.3
156.05737	1.0
157.06461	4.4
158.07253	1.4
159.08028	17.2
160.05154	0.3
161.05949	1.2
161.09599	3.6
167.04880	0.3
167.06981	3.6
169.06395	0.9
169.07611	1.7
170.07246	2.6
171.08014	3.0
172.05174	1.4
173.05923	2.2
173.09572	0.9
174.06734	1.4
175.07489	1.7
177.09081	0.4
178.06158	0.3
181.08635	0.3
186.06706	0.3
187.07503	11.1
187.09175	0.4
188.08195	0.5
189.05453	0.4
189.09065	6.3
190.06252	0.3
191.06996	0.5
192.07802	0.9
198.06747	0.9
199.07516	1.2
201.05351	0.3
201.09048	1.7
203.07013	1.8
204.07797	7.8
205.08580	1.7
206.09296	0.3
216.07773	2.4
217.08574	0.4
218.09364	1.0
219.10124	4.2
221.08057	0.9
221.11630	2.3
231.10114	4.8
233.11639	4.5
234.08878	0.3
237.11124	0.8
249.11169	100.0
250.11467	1.5
251.12560	0.7
267.12238	5.1
419.46661	0.3
461.00558	0.2
547.85016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81446	1.3
56.20475	1.2
65.03931	17.8
67.05476	3.3
69.07047	2.7
79.05486	3.2
81.07032	6.2
85.02907	1.7
91.05453	8.5
93.03380	3.6
93.07037	3.8
95.04955	2.6
95.08575	6.4
95.31572	1.5
105.07013	7.7
107.04956	3.4
107.08590	1.7
109.10183	2.2
110.03626	14.7
111.04444	16.3
118.32529	1.4
119.04906	6.7
119.08565	1.6
120.05894	1.4
121.02865	10.0
121.06434	1.9
121.10130	1.7
125.05957	20.4
133.02814	1.9
133.06429	1.9
133.10077	1.8
135.04404	2.1
135.94392	1.5
137.05962	13.6
140.92485	1.7
144.74886	1.5
147.04387	7.3
149.02315	3.1
149.05942	1.8
151.03931	2.0
151.07544	8.7
152.06255	1.6
153.05460	26.2
157.10106	1.8
159.08011	3.2
161.05972	2.4
165.06955	1.8
167.07013	15.5
175.07484	1.9
177.09088	1.9
181.06404	1.9
193.08557	2.4
195.08035	2.6
197.05972	2.2
199.07495	1.5
202.22021	1.4
206.07201	2.3
209.05904	2.0
209.29605	1.7
210.06760	6.3
211.07596	2.4
213.09000	1.6
219.08195	1.9
220.08835	1.7
221.06090	1.7
221.09621	5.8
222.33759	1.5
223.07574	2.9
224.08257	2.3
225.08986	2.4
227.06981	3.5
237.09126	2.0
238.06239	6.2
238.09871	2.2
239.06975	7.4
239.10693	1.8
240.07788	12.0
248.08147	1.6
249.08997	2.9
251.06964	2.7
251.10692	2.1
252.07870	2.6
253.08553	30.4
253.12166	6.8
253.36835	2.1
255.06509	2.4
255.10100	7.7
257.08081	2.2
265.08554	2.5
266.09341	3.4
267.06412	2.4
267.10080	8.3
268.07349	3.5
269.08337	2.0
270.08804	7.7
277.08487	2.5
281.08035	5.9
281.11639	6.9
282.08762	2.5
283.09598	18.3
284.10522	5.8
285.11111	7.1
295.09576	3.3
298.11765	5.3
299.12714	7.4
303.15839	2.0
309.11179	11.5
310.11951	6.1
312.09857	2.2
313.10645	12.9
313.14322	6.6
327.12192	36.2
331.15448	3.5
341.13589	2.1
359.14816	100.0
371.14963	1.8
569.26471	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27324	7.0
57.07062	38.4
67.05464	9.9
69.07059	8.6
70.06573	24.2
79.05454	10.0
81.07024	35.4
85.10152	9.5
88.07609	13.2
91.05455	12.3
93.07019	30.2
94.20063	5.9
95.04938	15.5
95.08591	8.2
102.09161	11.4
105.07017	63.5
107.08567	37.3
117.06995	14.6
119.08562	55.4
121.10112	11.4
129.06964	14.7
131.08537	34.3
133.10104	26.9
133.36903	5.8
142.07803	7.8
143.08528	14.5
145.10126	61.0
147.11626	9.7
156.09283	10.5
157.10112	24.4
159.11649	12.2
171.11688	8.8
173.13210	9.3
175.14812	13.1
181.10121	9.7
185.13249	8.7
209.13208	8.6
211.14868	7.8
219.34634	8.1
283.26212	10.2
284.29395	42.3
311.29416	37.5
312.32401	11.8
338.26041	7.6
568.42633	28.1
568.56226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
54.81555	1.5
55.05501	13.0
57.07062	8.7
59.04980	1.7
60.38750	1.1
65.03918	1.3
67.05495	17.9
67.19415	1.5
69.03430	1.7
69.07056	13.0
78.76698	1.3
79.05479	21.6
80.06267	2.5
81.07043	38.0
83.04963	2.0
83.08620	2.3
88.07645	1.2
91.05460	43.5
93.07028	54.1
95.04948	50.0
95.08588	24.1
97.10126	1.2
102.09174	1.8
103.05444	1.8
105.07015	99.5
106.07809	5.7
106.89032	1.2
107.08578	48.8
107.72560	1.2
109.06522	6.3
109.10135	17.7
110.07304	1.4
111.08090	2.0
115.05460	2.7
116.06281	2.1
117.07004	32.5
118.07809	5.2
119.08565	100.0
119.65419	1.5
120.09370	2.6
121.06493	3.0
121.10119	30.7
123.08094	13.4
123.11693	5.8
125.09637	1.6
128.06209	13.1
129.06989	20.4
130.07780	11.1
131.08553	52.2
132.09328	8.2
133.10115	53.0
134.10849	2.1
135.08058	6.1
135.11674	12.5
137.09654	4.5
138.10414	3.3
141.07004	8.2
142.07768	21.1
143.08554	51.4
144.09326	13.5
145.06445	1.8
145.10109	93.8
146.10909	3.3
147.07993	1.8
147.11667	22.7
149.09674	1.7
149.13251	2.2
153.06998	2.6
154.07794	5.2
155.08536	20.8
156.09320	21.2
157.10109	52.3
158.10846	10.0
159.07954	2.3
159.11684	35.1
160.12329	1.7
161.09641	7.1
161.13245	7.9
165.06987	3.2
166.07791	2.7
167.08549	9.7
168.09320	8.6
169.10094	29.4
170.10884	8.1
171.11664	33.3
172.12442	6.3
172.13895	1.3
173.13197	24.5
174.13792	1.3
175.11163	1.9
175.14795	12.1
177.12758	3.3
179.08533	8.7
180.09280	1.8
181.10074	20.5
182.10909	10.1
183.11655	29.7
185.13222	23.6
186.13974	3.0
187.11189	1.5
187.14867	10.0
189.12650	2.6
191.14311	7.0
191.79070	1.6
192.09323	2.4
193.10059	9.6
194.10878	11.1
195.11679	19.8
196.12457	8.2
197.13220	24.4
198.13983	2.9
199.14789	10.9
201.16397	7.1
205.10176	2.3
206.10822	1.7
207.11687	11.1
208.12436	6.9
209.13210	23.4
210.14000	2.9
211.14754	12.3
213.16371	3.3
217.15843	3.0
219.11536	2.2
220.12469	2.2
221.13190	9.9
223.14789	10.4
225.16403	6.2
227.17783	1.8
229.15562	1.9
233.13202	2.7
234.13867	1.6
235.14781	3.2
237.16423	5.8
239.17908	5.4
247.14862	1.9
249.16296	3.2
251.17888	2.9
253.19536	1.6
255.17244	1.6
257.18976	1.7
261.16327	2.2
263.18048	2.1
275.17902	2.3
284.29471	5.1
289.19528	1.6
305.22562	1.8
307.64886	1.4
311.29404	5.6
312.32471	2.3
323.23654	3.1
337.25287	1.6
338.25964	34.1
403.03314	1.8
430.32205	11.0
465.33459	1.5
476.36316	20.9
568.42651	31.7
568.55878	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	568.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
54.81671	1.2
55.01854	2.4
55.05503	23.4
56.96550	1.9
57.03419	3.1
57.07063	8.9
59.04986	2.1
67.01846	1.3
67.05493	19.0
69.03406	8.7
69.07052	56.5
69.07406	2.8
71.04980	10.0
73.29607	1.3
79.05480	23.6
81.03381	2.0
81.07037	100.0
83.04959	10.6
83.08604	15.1
85.02883	8.9
85.06524	13.7
91.05457	16.6
93.06470	1.8
93.07021	53.0
95.04930	10.5
95.08581	48.6
96.08877	1.6
97.02862	2.3
97.06524	10.1
97.10150	2.1
98.41950	1.2
99.04433	16.2
99.08078	5.6
101.05987	5.8
105.03358	17.9
105.07005	47.3
107.04939	3.2
107.08575	63.8
109.02877	1.5
109.06484	15.3
109.10136	52.6
111.08089	6.3
111.11691	7.4
117.06940	5.0
119.05016	1.4
119.08542	36.8
120.08927	1.6
121.06466	6.7
121.10120	69.6
123.08070	9.6
123.11671	40.0
125.09586	2.3
127.03874	6.4
127.07501	13.2
127.11154	9.2
129.06999	2.0
131.04916	2.6
131.08536	12.4
133.06488	2.1
133.10103	61.0
134.99623	1.7
135.08035	7.4
135.11678	37.4
137.05940	3.1
137.09602	2.5
137.13219	7.4
139.11180	6.3
143.08559	1.6
145.10120	15.9
147.04445	1.4
147.07985	2.9
147.11665	69.5
149.09599	11.4
149.13220	11.5
151.07521	7.1
151.11159	59.2
153.12718	12.0
157.10109	7.7
159.07974	1.8
159.11705	9.8
161.09615	1.7
161.13249	7.4
163.07536	1.8
163.11169	22.0
163.14818	3.1
163.22801	1.4
165.12701	31.9
167.06975	3.2
167.10599	1.9
169.12178	1.8
171.11678	2.6
171.13741	2.1
175.11171	41.1
175.14815	3.2
177.09123	1.8
177.12729	6.7
177.16345	2.0
179.10658	8.3
181.12183	32.2
183.13776	3.0
187.14873	2.3
189.12778	2.0
193.12199	69.5
195.13757	9.2
195.17958	1.4
197.13335	1.6
199.13243	9.1
199.14868	1.7
201.16399	2.5
203.17973	5.9
207.13762	1.9
211.13176	10.5
213.14848	5.3
215.12781	2.0
221.18954	2.5
229.14287	39.8
317.24734	24.0
335.25711	36.5
353.26822	46.7
362.85233	1.3
371.10651	1.6
371.27844	22.5
389.19510	1.8
389.28940	48.9
391.96060	1.4
407.12247	1.3
500.48111	1.4
535.15546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34626	0.5
55.05513	0.9
57.07077	3.9
57.18024	0.4
57.48855	0.4
58.32186	0.4
66.34492	0.5
67.05494	3.7
69.07047	1.1
71.04993	0.9
71.08616	5.6
79.05486	2.3
79.76446	0.5
81.07047	5.2
85.06565	0.5
88.07598	0.6
91.05470	3.0
93.07025	4.9
95.04935	2.1
95.08594	2.6
97.06535	1.0
101.85912	0.5
103.05443	2.9
105.07014	7.8
107.08582	2.3
107.45528	0.7
109.06509	0.6
109.10162	2.3
111.08033	0.6
117.07037	2.8
119.08575	2.7
120.63110	0.6
121.06464	1.2
121.10117	2.0
125.05974	1.1
130.07779	2.3
131.04907	11.7
131.08549	9.2
133.10139	1.2
135.08057	2.1
135.11691	1.1
137.09653	0.5
143.08516	1.0
145.10109	100.0
146.10461	1.2
147.11655	0.9
157.10120	0.6
159.11659	12.8
161.09579	4.3
162.09929	0.6
177.70233	0.5
185.11707	0.8
191.14439	0.5
201.16359	39.3
217.15709	0.8
249.14650	0.8
284.29556	0.7
315.16043	0.9
333.16852	4.0
488.04156	0.6
568.56470	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	568.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.96486	0.3
55.01878	0.4
55.05508	2.4
57.03429	0.4
57.07066	0.4
59.05004	0.3
67.05505	3.3
69.03419	0.5
69.07054	3.1
71.04967	1.4
72.31582	0.3
79.05476	5.3
81.07041	7.7
83.03013	0.3
83.04974	2.2
83.08602	0.6
85.06512	0.3
85.96248	0.3
88.45397	0.2
90.89809	0.2
91.05462	8.3
93.07022	9.7
95.04947	3.3
95.08589	6.8
95.92353	0.3
97.06500	1.7
99.04426	0.5
102.04643	0.3
103.05450	38.9
105.07014	10.7
107.07876	0.3
107.08585	7.6
109.06515	2.0
109.10154	3.3
111.08069	0.4
115.05437	0.5
116.06225	0.3
117.06998	4.7
119.08562	8.8
120.09293	0.3
121.06503	1.2
121.10126	3.6
123.08063	1.1
123.11712	0.4
124.22941	0.3
125.09605	0.3
128.06168	0.5
129.06955	2.3
130.07777	0.5
131.04906	100.0
131.08543	5.8
132.05170	0.5
132.09309	0.4
133.06511	0.3
133.10100	5.3
135.08025	0.5
135.11673	1.7
137.05936	0.5
137.09627	0.6
141.06970	1.2
142.07765	1.2
143.08525	3.6
144.09300	0.4
145.10127	5.8
147.07982	0.7
147.11688	2.5
149.05952	0.4
149.09607	1.4
149.13181	1.0
151.11179	0.5
152.08299	0.4
155.08556	1.5
156.09363	0.6
157.10127	2.8
159.08020	0.3
159.11670	4.1
161.09586	0.5
161.13246	2.0
163.11206	0.5
165.09062	0.3
166.19734	0.3
167.08577	0.5
169.10114	1.7
171.11656	2.4
173.09593	0.5
173.13202	3.6
175.14795	2.0
177.12718	0.5
179.10559	0.3
181.10085	0.3
181.12231	0.3
182.10895	0.4
183.11635	0.4
185.09599	0.3
185.13242	1.5
187.11098	0.3
187.14792	1.6
189.12640	0.4
189.16399	0.6
191.14217	0.4
195.11662	0.5
197.13220	1.1
199.14795	0.6
201.12682	0.5
201.16333	1.3
203.14284	0.3
209.13275	0.6
211.14769	0.6
213.16408	0.4
215.14420	0.4
217.15849	0.4
219.17499	0.4
223.14731	0.4
225.14572	0.6
233.15408	0.3
241.19696	0.3
253.19397	0.4
307.07654	0.3
312.48453	0.3
351.26648	0.4
385.27292	2.9
403.28214	1.3
474.35736	0.3
509.18686	0.3
533.32544	22.9
551.34186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.81484	1.5
55.01866	3.9
55.05504	18.6
56.96552	1.7
57.03427	8.8
57.07063	3.6
59.04998	2.1
59.11329	1.4
61.02891	2.2
67.05493	26.4
69.03415	15.1
69.07057	57.4
71.04964	7.5
73.02905	4.0
76.83138	1.5
79.05470	17.2
81.03380	2.2
81.07039	94.2
83.04962	9.1
83.08607	10.5
85.02882	23.8
85.06515	14.7
91.05469	17.6
93.07021	60.9
95.04942	11.0
95.08585	44.2
97.02885	8.6
97.06481	14.3
97.10162	2.2
99.04432	19.6
99.08070	7.7
100.11222	1.8
101.06029	2.8
101.16794	1.6
105.06367	2.5
105.07018	51.5
107.04939	2.3
107.08575	56.9
109.02929	1.8
109.06494	22.0
109.10143	72.0
111.04405	2.0
111.08066	4.1
111.11710	7.3
113.06011	1.9
116.70946	1.8
117.06989	2.3
119.08551	31.8
121.06488	9.4
121.10124	100.0
123.08054	14.2
123.11681	31.1
125.09590	3.6
127.03860	3.4
127.07541	16.3
127.11179	4.1
131.08522	8.5
133.10107	76.4
133.11134	2.7
135.08066	7.5
135.11674	47.8
137.05965	4.0
137.09628	6.9
137.13200	2.7
139.07396	2.2
139.11194	10.1
141.09074	1.9
143.08543	3.7
145.10100	20.2
147.04417	3.7
147.07999	2.6
147.11668	47.1
149.09595	13.2
149.13225	8.8
151.11168	87.9
153.12711	3.8
157.10068	7.1
159.11650	12.2
161.09624	4.1
161.13255	10.0
163.11128	30.6
165.12761	19.2
169.12262	6.2
171.13766	2.8
173.13353	3.0
175.11154	42.6
175.14748	2.2
177.12737	10.7
177.16325	2.5
179.10651	10.9
181.12198	43.6
189.12680	2.5
189.16454	2.4
193.12209	68.7
195.13791	18.6
199.13191	3.9
199.14894	2.6
201.16331	3.9
207.13739	6.6
211.13261	9.7
213.14812	9.6
215.12756	2.8
217.15714	1.8
219.17424	9.7
229.14314	43.2
235.17009	5.7
237.18471	6.8
253.17812	3.1
255.19479	6.2
292.34897	1.8
305.24768	2.2
315.23154	10.1
333.24173	44.2
351.25259	93.6
369.26245	11.3
387.27344	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	566.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
54.14006	0.7
55.01867	1.4
55.05500	6.6
56.96553	0.8
57.03422	5.0
57.07068	3.3
61.02909	0.8
67.05197	0.7
67.05499	11.6
69.03412	6.2
69.07052	18.4
71.04980	9.1
73.02899	4.8
79.05470	7.8
81.03413	1.8
81.07038	43.8
83.04966	15.6
83.08631	6.0
83.72147	0.8
83.72697	0.7
85.02894	13.2
85.06528	5.8
87.23741	0.7
91.05464	9.8
93.07021	19.9
95.04967	3.0
95.08582	18.7
97.02865	4.2
97.06506	4.9
97.10133	0.7
99.04408	5.9
101.05968	0.9
105.07013	47.5
107.04953	0.9
107.08571	26.3
109.02847	0.8
109.06503	15.2
109.10137	40.6
111.08073	1.8
117.07015	1.3
117.11857	0.7
119.08566	18.5
121.06466	4.0
121.10118	25.0
122.99918	0.8
123.08048	4.3
123.11680	22.0
125.05940	0.9
125.09620	1.8
127.03899	0.8
127.07515	2.8
127.11169	9.4
129.05417	1.0
129.06929	1.2
131.08557	5.6
133.06500	0.9
133.10143	11.4
135.11691	6.7
137.06017	1.0
137.09523	1.4
137.13208	1.3
139.11107	1.0
141.12740	1.0
143.08549	1.1
145.10118	7.5
145.12198	11.4
147.04408	1.1
147.07993	1.8
147.11667	100.0
149.09628	11.4
149.13239	3.6
151.07498	1.7
151.11119	5.4
153.09068	1.3
156.09232	0.8
157.10126	3.7
159.04398	0.7
159.11681	3.0
161.09602	1.4
161.13202	12.4
163.11195	5.4
163.14757	1.0
165.12717	58.0
167.07033	1.1
167.10635	1.3
171.11641	1.8
173.13159	1.2
175.11134	6.4
175.14830	1.4
177.12708	1.3
177.16380	1.1
179.10707	1.1
179.14273	5.8
181.12213	1.4
189.12727	12.3
191.17892	1.9
193.12202	48.1
195.13823	0.7
201.16298	1.5
207.11870	1.6
207.13759	27.4
211.13295	1.1
217.15776	1.0
219.17433	3.3
223.16855	1.7
225.14803	6.6
229.12044	1.7
229.14307	45.0
230.14561	0.9
237.18478	5.2
243.15842	31.4
255.03101	0.7
255.19452	1.5
333.24197	9.9
351.25208	11.7
369.26279	5.1
387.27255	1.0
446.37241	0.9
566.30414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34349	1.1
53.03931	2.7
53.69968	1.1
55.01855	6.6
55.05508	12.6
57.03426	14.4
57.07049	2.0
57.59135	1.2
58.04277	1.3
59.04991	1.7
61.02908	2.9
67.05489	19.0
69.03413	22.5
69.07060	17.9
71.01330	3.2
71.04957	2.8
73.02900	27.5
79.05469	13.3
81.03413	2.3
81.07037	71.5
83.04941	1.5
83.08606	5.8
85.02892	37.1
85.06506	1.3
87.04444	2.4
91.05447	19.3
92.64695	1.5
93.07024	52.8
93.22503	1.6
94.35188	1.2
95.04942	8.1
95.08586	85.0
97.02869	27.0
97.06496	3.1
104.29321	1.5
105.07018	51.1
107.08578	74.3
109.02856	2.4
109.06479	6.8
109.10138	34.6
111.08045	3.3
111.11676	2.9
113.09575	2.0
115.03904	10.4
117.06989	2.3
119.08565	60.1
121.06464	5.0
121.10111	18.8
123.07997	2.7
123.11677	6.3
125.05968	6.2
125.09589	2.6
127.03871	7.6
131.08525	6.6
133.04967	7.6
133.10106	57.6
133.15034	1.4
135.08044	5.2
135.11668	42.3
135.12679	2.1
137.89848	1.4
139.07526	6.2
139.11107	1.5
143.08577	2.3
145.04929	5.4
145.10075	6.8
147.08023	2.4
147.11671	35.2
149.09583	1.6
149.13174	1.8
153.09152	1.9
157.10121	5.9
159.11652	2.6
161.09628	6.0
161.13239	18.2
163.05998	1.8
167.83049	1.4
170.15756	1.5
171.11627	1.9
173.13246	6.6
175.11102	2.8
175.14813	10.8
179.10655	7.4
189.16344	100.0
199.14830	9.2
199.17380	1.5
207.17416	7.8
209.70589	1.3
217.15836	32.9
228.22650	1.6
235.16875	49.2
253.17905	10.7
259.08060	2.0
261.14536	2.8
262.14856	2.0
293.17142	15.3
294.17447	5.5
349.19815	1.6
379.21249	5.9
389.04559	1.7
423.65790	1.4
578.39954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03051	2.8
54.82537	2.9
55.01877	4.3
57.03438	6.0
59.97515	2.8
61.02908	3.5
69.03419	19.3
74.10130	3.2
81.03401	5.9
82.50287	4.5
85.02898	33.3
97.02876	5.7
98.29173	3.2
103.05459	4.3
109.02867	3.7
110.30625	3.0
123.04379	6.5
127.03922	3.4
131.04907	30.9
133.06459	6.2
137.37491	4.1
139.03877	4.7
141.06996	5.8
155.07059	4.7
161.05923	16.9
167.06961	13.5
169.06496	6.8
173.06094	4.4
176.04660	4.9
180.07751	5.6
183.06529	5.1
185.05954	4.3
185.66592	3.4
187.03883	19.2
187.07494	6.5
189.05533	15.8
191.07011	43.8
197.05957	13.7
201.09113	5.3
203.07080	3.5
204.04123	27.3
204.07710	4.3
205.08568	5.1
213.05589	5.9
214.06313	5.0
215.07130	10.7
217.04959	6.0
217.08598	3.9
218.05721	6.7
219.06447	31.5
223.06149	6.3
229.08641	6.9
231.06548	7.7
235.05827	4.5
243.06512	5.7
245.04410	7.6
245.08154	14.0
247.09567	17.2
249.07657	5.9
257.08090	16.2
260.06750	31.9
262.04861	3.8
263.05545	3.9
273.07587	7.2
275.09085	99.9
277.07043	21.8
287.05484	8.3
295.34940	3.6
301.06998	5.7
319.08136	35.3
337.09122	100.0
354.94748	3.2
367.10178	17.9
385.11002	4.8
487.68155	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	564.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.5
55.01863	19.1
57.03421	4.6
58.24008	0.8
61.02908	1.7
62.38924	0.8
65.03926	2.0
67.05479	4.6
69.03416	19.9
71.01329	1.5
71.04969	1.9
73.02900	1.7
81.03391	4.9
81.39849	0.9
83.04984	4.4
85.02890	19.6
87.10236	0.9
91.05434	4.5
95.04947	23.5
97.02861	6.6
99.04424	14.0
103.00272	2.5
105.07043	7.4
107.08575	0.9
109.02839	1.4
113.02339	6.8
115.05470	3.9
117.06977	1.8
119.04966	1.1
119.08541	1.5
121.02934	1.0
121.06477	1.1
123.04399	48.1
129.06985	1.9
131.04903	1.3
132.05644	1.3
133.06461	13.5
134.99541	1.1
137.05948	1.1
140.04704	9.3
141.05496	8.1
141.06761	0.8
143.04881	1.4
145.04980	1.2
145.06488	3.9
147.04413	5.6
155.06996	18.5
156.05687	6.0
157.06442	11.8
159.02844	2.0
160.05113	3.9
161.05942	15.7
162.03104	1.4
167.07004	20.9
171.02806	1.1
171.04294	1.2
172.05151	1.3
173.05905	4.1
175.07527	6.7
177.05435	1.1
178.06216	1.3
181.04918	15.4
183.04861	1.8
183.06480	49.2
185.05942	3.9
187.07481	1.7
188.04652	1.5
189.05455	6.4
190.02563	5.8
191.07022	3.6
193.08568	4.7
199.07530	1.7
200.04593	1.7
201.05457	2.4
203.07115	3.9
205.08574	2.0
207.06512	2.3
208.03624	4.6
213.05476	5.3
216.04189	2.1
217.08585	5.4
219.06473	5.3
221.07994	2.4
223.05952	39.1
229.04893	2.3
230.05708	1.5
231.06596	3.8
233.08098	4.2
234.05194	5.3
235.05934	2.0
235.09616	1.1
239.50192	1.0
245.08014	11.0
249.07545	24.8
259.05969	1.1
267.08575	5.2
274.04620	1.1
275.08990	7.7
277.06979	1.1
289.07059	1.5
303.08310	1.3
305.65665	1.2
307.07925	1.2
323.07553	11.5
349.08984	6.5
367.10129	100.0
499.19025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
57.70351	0.1
59.06100	0.1
62.97331	0.1
74.09686	0.3
77.03889	0.2
79.05468	0.3
81.07025	0.5
91.05457	2.4
93.07021	0.8
95.04956	0.2
95.08580	0.2
100.93896	0.1
103.05429	0.6
105.07011	1.2
107.04960	0.2
107.08573	0.6
109.06519	0.2
109.10184	0.2
115.05440	12.8
117.07004	1.3
118.04190	0.2
119.08582	0.2
121.06544	0.2
121.10057	0.2
128.06207	11.5
129.06987	100.0
130.07358	0.3
131.04918	0.2
131.08533	0.7
133.06444	0.6
133.10100	0.3
135.08005	0.2
135.11623	0.2
141.06973	0.3
145.06477	1.9
145.10097	0.2
147.08043	0.2
155.06015	1.6
157.06471	17.7
159.07986	0.2
159.11668	0.2
161.05975	0.5
163.07495	0.2
167.07053	0.5
169.10095	0.2
173.05971	0.7
175.07523	5.7
180.07848	0.2
181.04843	0.1
187.07495	0.2
191.07037	0.3
193.08615	0.9
194.09399	0.5
195.10274	0.1
201.16360	0.2
205.08566	0.3
232.10995	0.2
249.09039	0.3
250.09880	0.2
277.12125	1.4
291.13760	1.1
309.14828	0.3
323.16367	1.0
351.15756	1.6
445.76456	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	563.2097
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
59.12226	0.4
59.32928	0.4
61.09186	0.3
61.88836	0.4
61.90694	0.3
63.00632	0.4
63.04311	0.3
65.42825	0.4
68.46252	0.3
69.03403	0.5
69.49737	0.3
79.05506	0.6
79.84447	0.4
83.01084	0.7
91.05478	0.9
93.07030	0.5
95.01068	3.1
96.01864	0.9
105.88183	0.4
107.04967	2.7
112.01330	0.7
113.02141	2.5
119.04924	0.6
131.04913	0.6
137.05949	4.8
157.04674	0.7
158.09375	0.4
161.06024	0.6
163.07553	2.0
167.03209	0.5
185.04213	5.5
185.05655	0.7
189.05255	0.6
190.09575	0.4
201.03809	1.8
202.06050	2.3
203.05254	7.4
204.07567	6.0
205.08250	0.6
293.17371	0.6
303.43030	0.4
353.13596	0.7
401.15656	0.4
563.20923	100.0
564.21295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81659	1.0
56.96545	1.3
57.11966	0.9
66.32438	1.1
79.05508	1.5
81.07050	2.1
81.22942	1.0
85.09049	1.0
88.39017	1.1
93.07033	1.6
105.07009	2.2
153.45601	1.3
177.08823	24.9
177.10150	1.6
191.10486	2.3
203.67876	1.2
221.07898	2.4
261.14624	4.6
265.19916	1.3
277.17709	1.7
293.17188	100.0
294.38489	1.1
420.84360	1.3
447.26932	1.2
563.35950	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	562.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63838	0.1
58.81618	0.1
66.02641	0.1
66.75642	0.1
67.05476	0.4
74.09697	0.4
79.05458	0.2
81.07024	0.4
85.95820	0.1
91.05463	1.4
93.07037	0.5
95.04935	0.1
95.08584	0.1
103.05434	0.4
105.06355	0.1
105.07031	0.6
107.04929	0.1
107.08585	0.4
115.05436	12.2
117.06999	0.2
119.08541	0.2
121.10165	0.2
127.05466	0.1
128.06201	10.3
129.06982	100.0
130.07288	0.4
131.08487	0.3
133.10051	0.3
135.07962	0.1
135.11636	0.2
145.06450	1.4
145.10092	0.2
155.05995	1.2
157.06464	13.9
175.07506	5.7
194.09369	0.2
195.10297	0.1
221.08061	0.2
227.07295	0.1
235.07367	0.1
277.12204	1.3
291.13785	0.6
349.38910	0.1
351.15930	0.6
431.63303	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	561.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	2.2
67.05496	1.2
69.07060	1.8
70.15142	1.3
79.05461	1.8
81.07047	3.1
91.05460	2.8
93.07014	7.7
95.08620	2.4
105.07014	3.7
107.08545	2.6
109.06481	2.0
111.47396	1.5
119.08619	2.5
121.06473	1.6
123.04157	38.7
151.07288	52.5
151.75085	1.8
158.11832	1.4
165.08873	8.3
177.08818	7.5
185.57518	1.5
191.10503	5.9
203.10402	3.0
217.77377	1.7
261.14575	74.9
275.16183	9.9
291.15610	100.0
293.17169	78.6
309.16623	2.3
353.16553	1.7
407.24271	2.3
561.34155	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	559.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72547	0.5
63.09949	0.7
64.61654	0.6
67.05486	0.7
81.07046	1.1
91.05473	1.5
93.07007	0.6
95.04973	1.2
107.08577	0.9
117.38065	0.6
121.06507	0.6
126.79199	0.6
136.06030	0.6
137.05974	0.8
147.04399	0.8
159.04195	1.2
189.05196	0.8
190.05891	0.6
293.17224	2.2
329.47232	0.6
348.87921	0.7
381.13419	1.0
396.15414	1.0
397.16193	7.6
559.21405	100.0
560.21228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17116	0.5
56.96557	0.6
66.81498	0.5
67.05481	1.0
71.04961	0.6
72.09332	0.5
79.05450	1.0
81.07030	3.8
88.88175	0.5
91.05475	0.7
92.64105	0.6
93.07008	2.9
95.04931	0.7
95.70294	0.5
97.10176	0.7
105.07020	1.4
107.08559	2.5
109.10163	0.6
119.08584	0.8
123.04195	7.4
125.09605	1.2
131.08502	0.8
133.30058	0.6
137.05705	16.3
139.37361	0.6
141.05197	0.9
146.39241	0.6
168.38718	0.6
177.08838	10.2
184.79083	0.6
191.10370	2.4
291.15631	100.0
292.15942	2.1
559.31860	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	559.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83531	0.6
52.77767	0.6
55.05495	3.9
57.07074	0.9
67.05479	4.2
69.07064	9.9
71.04957	1.1
71.08638	0.6
79.05467	4.0
81.07036	12.1
83.04950	1.0
83.08608	1.1
91.05457	9.2
93.07018	10.9
95.04937	3.9
95.08578	9.5
97.12591	0.7
98.97540	1.1
101.00885	3.4
105.07018	34.1
107.08572	9.4
109.06504	0.8
109.10152	10.1
117.06998	1.6
119.01904	56.0
119.08559	50.8
121.10126	8.1
123.11686	4.1
131.08540	4.9
133.10095	15.5
135.07964	1.0
135.11665	1.4
137.02937	38.3
142.03487	0.8
145.03455	2.5
145.10109	10.7
147.11671	28.2
149.09515	0.9
151.11174	0.7
157.10095	0.8
157.88844	0.7
159.11659	7.1
161.13199	7.8
163.07384	0.7
173.13312	0.7
173.98540	0.7
175.14832	0.8
177.08847	1.5
185.06496	1.3
201.16364	4.1
203.17938	21.0
203.19769	0.8
217.12061	0.7
220.19817	0.9
233.11449	4.2
237.09764	0.8
253.56812	0.8
259.13171	0.8
260.12543	4.2
261.14517	3.7
261.16916	0.8
275.12723	0.9
275.16132	1.6
285.16928	40.6
286.17261	1.2
289.13940	4.3
291.12347	1.4
291.15640	4.5
303.17990	93.8
304.18332	2.5
307.14941	1.0
321.19049	100.0
322.19064	2.9
326.19617	1.1
339.20108	50.4
340.20370	1.3
344.20712	3.0
362.21777	1.0
443.24332	0.9
499.36328	1.1
527.29132	1.0
541.37006	1.2
559.31586	13.8
559.38660	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.01863	2.5
55.05506	16.6
55.93516	1.3
56.96539	1.6
57.03419	2.4
57.07072	100.0
59.04985	2.9
65.03914	1.8
67.05498	32.0
68.92237	1.1
69.03405	5.1
69.07053	8.8
69.11713	1.0
71.04971	10.6
75.98473	1.3
79.05489	25.1
81.03410	9.8
81.07040	49.5
83.04950	8.4
83.08588	1.3
85.06016	1.5
85.06531	57.1
91.05467	44.1
93.07027	79.5
95.04950	31.1
95.08590	82.3
97.06525	5.7
97.34328	1.4
99.04403	1.2
105.03375	6.7
105.04488	5.1
105.07018	41.0
106.03738	2.1
106.07344	1.7
107.05009	1.4
107.08588	34.3
109.06518	14.0
109.10122	11.0
111.08067	5.9
117.06992	8.4
119.08582	14.2
121.06476	2.0
121.10119	6.6
123.08053	5.9
123.11687	6.4
125.09577	1.6
129.06961	2.5
130.07750	1.3
131.04935	1.3
131.08540	7.8
133.10135	15.7
135.08049	13.6
135.11674	2.2
143.08636	1.5
145.10121	5.6
147.11685	4.6
149.09619	1.9
151.11180	6.8
159.11685	7.2
161.09621	2.6
163.11183	1.5
165.42538	1.3
174.42563	1.2
177.12685	1.7
187.14737	1.6
201.16322	1.8
377.23651	1.5
539.88446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2151
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
50.72547	0.5
63.09949	0.7
64.61654	0.6
67.05486	0.7
81.07046	1.1
91.05473	1.5
93.07007	0.6
95.04973	1.2
107.08577	0.9
117.38065	0.6
121.06507	0.6
126.79199	0.6
136.06030	0.6
137.05974	0.8
147.04399	0.8
159.04195	1.2
189.05196	0.8
190.05891	0.6
293.17224	2.2
329.47232	0.6
348.87921	0.7
381.13419	1.0
396.15414	1.0
397.16193	7.6
559.21405	100.0
560.21228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01872	7.2
55.05508	17.3
57.03421	2.2
57.07068	2.5
59.04989	5.1
67.05500	50.1
69.03430	6.3
69.07061	15.9
71.04980	12.5
79.05476	54.4
80.05839	1.3
81.03410	6.2
81.07045	54.1
82.07363	2.4
83.04977	11.3
83.08625	1.9
85.02901	6.2
85.06533	6.3
87.00802	1.5
91.05467	87.8
93.07033	79.6
94.07362	2.8
95.04959	24.0
95.08591	36.5
97.02882	1.5
97.06522	8.6
99.04447	3.2
101.06007	2.4
105.03410	1.5
105.07023	100.0
106.07380	2.9
107.04933	2.1
107.08584	43.4
109.02873	1.4
109.06529	9.3
109.10146	20.1
111.04474	1.6
111.08068	2.5
113.05959	1.6
115.05444	2.1
117.06989	23.3
117.07626	1.4
119.08570	75.1
121.06492	8.2
121.10124	30.3
123.08051	3.2
123.11677	3.2
125.09656	1.5
127.07596	1.9
128.06183	2.6
129.06989	20.7
130.07834	1.6
131.08553	39.5
133.10117	61.0
135.08064	10.4
135.11681	10.6
136.59293	1.4
137.09630	6.1
141.07004	12.2
142.07788	2.8
143.08577	12.9
145.10126	28.9
147.08072	6.1
147.11681	31.1
149.09621	8.4
149.13261	5.1
151.07561	1.9
151.11131	2.6
153.09154	2.3
155.08545	9.4
155.10652	1.7
157.10124	18.3
159.11685	27.2
161.09621	6.4
161.13248	39.2
163.07568	1.6
163.11188	5.6
165.09161	2.2
167.08557	2.0
168.09235	1.9
169.10152	7.2
171.11612	14.1
173.09598	2.3
173.13225	18.7
175.11183	7.6
179.10686	2.8
183.11647	15.9
185.13251	6.1
187.11150	2.2
191.14250	1.6
193.12227	1.4
197.13264	10.3
199.14803	2.8
201.12740	2.9
207.13745	1.5
211.14844	2.4
213.16325	1.5
215.14355	1.9
215.17979	1.8
219.17317	1.6
229.16017	2.7
233.15329	1.9
237.14871	1.5
239.17924	25.1
257.19022	5.9
275.20023	36.6
291.15710	1.6
511.12677	1.4
557.30658	1.5
558.30322	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35802	0.8
55.01855	2.4
61.89043	0.9
62.27303	0.8
62.42641	0.9
69.03446	1.3
72.91303	0.9
73.86564	0.9
79.05478	4.7
81.07043	1.4
85.02883	1.5
91.05455	20.2
93.07069	0.9
94.04156	1.2
95.04963	4.1
103.05458	16.5
105.07027	12.7
107.04951	32.8
109.06543	1.4
115.05457	5.4
117.07022	2.3
119.04933	21.6
121.06483	6.8
122.03637	8.1
122.07283	1.2
123.08062	1.3
129.07008	8.3
131.04912	23.9
131.08585	2.2
133.06485	6.5
135.04436	1.4
135.08049	11.3
136.05211	1.7
137.05963	93.9
145.06519	4.1
146.07272	2.3
147.04399	14.6
147.08064	1.8
148.05153	2.3
149.05963	7.5
150.06805	1.4
151.07530	42.1
157.06526	4.3
159.08066	1.9
160.58063	1.1
161.05959	100.0
161.09581	28.3
162.06752	7.8
163.07520	43.0
165.06960	1.4
165.09140	1.2
167.08517	4.5
174.06798	5.0
175.07523	15.8
177.09125	8.1
179.07025	1.4
181.08572	7.7
189.09096	49.2
191.07013	1.4
193.06598	1.9
193.10097	1.4
194.07216	1.9
195.08084	9.4
207.08252	2.7
207.10146	40.4
212.08350	1.4
219.10158	5.6
221.06018	4.3
221.09680	3.1
223.07596	4.7
224.08363	1.1
225.09009	1.6
227.10622	15.2
233.09616	1.5
237.08977	1.5
239.07045	1.2
240.07785	1.7
247.81065	1.0
249.08980	1.5
252.07680	1.5
253.08641	4.5
253.12248	7.4
255.10089	11.5
267.10175	4.2
269.08139	2.0
285.11264	8.6
287.12759	24.6
297.11243	1.8
299.12891	1.6
311.12820	11.2
313.14252	23.0
331.15320	44.8
331.19095	2.1
343.15363	2.5
393.48758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98074	0.9
53.03944	1.9
53.25055	0.7
55.01847	1.2
57.03431	12.6
59.73469	0.8
61.02914	3.8
66.65831	0.8
67.05486	0.9
69.03410	6.2
71.01360	1.0
73.02902	19.0
79.05471	6.3
80.59789	0.9
81.03400	1.2
81.07043	1.9
85.02889	5.7
85.06509	1.1
87.36133	1.0
91.05463	13.1
92.09225	1.1
93.07039	7.6
95.04925	4.3
97.02865	6.4
101.05798	1.1
103.05439	15.4
104.06262	0.9
105.07011	25.5
106.04134	1.0
107.04937	28.6
115.03890	4.5
115.05437	6.4
117.06999	4.3
118.04161	2.0
119.04919	4.0
121.06470	15.2
123.04405	1.9
125.05974	1.1
128.06242	1.5
129.06981	5.1
131.04935	11.5
131.08582	3.2
132.05673	4.2
133.06473	23.7
135.08037	6.8
137.05939	11.7
144.05670	1.4
145.06528	1.6
146.07228	3.7
147.04405	1.4
148.05157	6.7
149.05954	16.5
149.09596	1.3
151.03879	2.3
151.07555	8.1
153.05435	1.3
154.72885	1.0
157.06430	1.4
159.04424	1.7
159.08022	1.2
160.05182	2.1
161.05957	100.0
161.09576	23.3
163.07523	26.3
163.08786	1.5
164.08089	1.2
165.09142	1.3
166.06192	1.9
167.07007	58.0
173.95631	1.0
174.06735	4.5
175.07501	12.6
177.05460	11.1
177.09088	27.7
178.06142	1.5
179.06937	3.6
180.07742	1.6
181.08559	17.3
189.09074	55.9
191.07040	9.6
192.07762	4.9
193.08571	52.3
195.10188	1.0
207.06638	1.9
207.10136	58.1
209.08031	11.2
219.10144	4.9
221.11751	2.3
251.06842	1.2
285.11185	1.9
315.12173	1.3
331.15311	1.3
341.13840	7.5
343.15384	5.8
361.16422	25.9
373.16229	6.9
460.32324	1.1
468.70407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
57.03429	2.1
57.50181	1.8
63.47240	1.9
64.92488	2.0
65.03943	1.8
69.03421	8.1
71.04971	4.4
79.05473	3.3
81.07044	5.0
85.02909	17.6
91.05470	28.7
93.07026	4.9
95.04957	4.3
95.08570	2.8
97.02892	3.4
103.05467	19.1
105.06997	13.9
107.04941	34.5
107.08559	3.0
109.06474	2.9
115.05423	3.8
117.07018	2.3
119.04913	20.4
121.06508	9.2
122.03593	2.7
123.04388	2.6
123.08076	3.0
128.06154	3.2
129.06993	4.8
131.04903	33.1
131.08440	2.5
133.02856	4.0
133.06493	12.4
135.04393	2.6
135.08037	8.2
137.05954	100.0
141.22878	2.1
145.06413	2.6
147.04388	26.2
148.05231	2.4
149.05965	15.1
150.06818	2.6
151.07532	41.8
153.01862	3.9
153.60143	2.2
161.05957	98.5
161.09595	23.9
162.06709	4.2
163.07526	53.2
175.07458	16.3
177.09097	13.0
179.07104	6.6
181.08539	8.0
189.09085	57.9
191.07014	4.4
195.08031	7.9
207.10129	53.3
219.10172	12.2
221.05858	2.9
221.09462	2.3
223.07603	2.8
225.09064	3.5
227.10570	16.3
250.58655	2.0
253.12172	3.1
255.10176	13.5
285.11127	4.2
287.12665	15.4
297.11282	3.3
299.12692	4.0
311.12671	9.1
313.10855	3.4
313.14307	20.0
325.14346	2.6
331.15329	52.1
343.15271	3.4
398.67575	1.9
413.88220	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	556.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95799	2.5
52.06715	2.6
54.82083	2.7
55.05503	26.1
56.01851	2.6
57.03422	18.8
57.07071	66.8
60.49843	2.6
67.05502	30.3
68.90854	2.7
69.07050	22.0
71.04979	3.6
71.08619	36.4
75.29805	3.0
75.64209	2.7
79.05477	33.6
80.94833	4.9
81.07047	39.6
83.04955	2.8
83.08608	26.4
85.10183	26.6
85.57579	3.2
89.06014	21.3
91.05455	6.6
93.07027	63.5
94.07320	3.1
95.04955	6.3
95.08588	74.7
96.72242	2.9
97.06495	3.1
97.10161	7.1
99.04417	4.5
105.07015	12.0
106.30495	3.0
107.04929	11.7
107.08588	36.9
109.10123	15.6
117.07000	13.3
119.08549	14.8
121.06465	12.0
121.10127	20.2
133.08606	4.6
134.88361	3.7
135.11673	74.9
145.10115	41.3
163.11154	79.1
163.26549	3.1
181.12131	13.6
199.95485	4.2
227.12755	73.2
283.15302	53.7
283.26282	16.3
300.28873	5.3
313.27322	100.0
320.22293	3.4
371.22702	5.5
521.38373	81.0
556.39899	5.5
556.52966	23.2
580.25360	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	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01852	1.6
56.02934	0.4
57.03420	1.7
61.02912	1.0
67.05479	0.6
68.38197	0.4
69.03410	3.5
71.04974	0.6
73.02906	0.9
73.79663	0.4
74.90929	0.4
79.05465	0.8
81.03396	1.9
81.07023	0.9
85.02885	12.1
91.03922	0.6
91.05466	2.8
93.07017	0.7
94.04144	1.4
95.08578	0.8
97.02882	3.6
99.04437	0.6
103.05428	1.9
105.07002	0.8
107.04942	1.9
109.02808	0.7
109.06482	1.0
109.10085	0.4
109.54242	0.4
111.04453	0.8
117.03339	0.4
117.07007	0.8
119.04945	0.6
121.06499	0.7
122.03627	4.8
125.05972	1.0
127.03893	2.0
128.06221	0.5
129.06990	9.6
131.04893	4.6
131.08568	0.8
137.05954	100.0
138.05457	1.0
143.04922	2.3
143.08556	0.5
144.05672	0.7
145.04915	0.7
145.06503	3.2
147.04384	0.9
149.05948	5.6
151.03886	0.9
151.07489	2.2
153.05444	2.1
155.04820	0.4
157.06461	11.1
158.07268	0.4
159.17348	0.4
160.05142	2.2
161.05968	2.1
162.06789	0.5
162.28831	0.4
163.07530	4.3
167.06950	0.8
174.06723	7.6
175.07509	12.2
177.09071	1.8
179.07007	2.1
185.05905	0.7
187.07523	16.7
189.09064	21.7
191.06972	1.3
191.08559	0.7
199.07619	0.8
201.09152	0.5
202.07758	0.6
203.06921	0.5
203.08557	4.0
205.06868	0.7
205.08578	4.6
205.10248	0.6
211.07535	0.6
217.08571	15.1
219.08104	4.2
219.10060	0.7
220.08844	1.8
231.07973	4.5
232.08817	1.7
235.07291	0.8
235.09583	16.9
236.08244	0.8
237.08931	0.6
240.07930	0.5
247.07561	3.5
248.08224	5.3
249.09123	0.5
251.10707	3.0
253.08333	0.8
253.10593	0.5
259.07544	2.5
260.08148	0.7
261.09109	0.6
263.10626	5.9
264.07788	1.0
265.08643	1.0
276.07852	1.9
277.08691	0.8
279.10098	7.3
281.08005	0.5
283.09595	0.9
285.11179	0.6
291.10089	15.4
292.10849	0.6
293.08047	0.6
296.10303	2.3
297.10892	0.6
299.12747	0.7
305.11560	0.5
308.10361	1.9
309.11304	1.5
311.12680	9.0
323.12708	14.8
325.14282	0.9
329.13776	8.6
341.13739	17.4
347.14771	0.6
359.14899	1.9
398.89099	0.5
530.38580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68795	0.1
55.01875	2.3
55.05509	0.3
57.03431	3.1
59.04987	0.2
61.02917	1.2
65.03928	1.4
65.80214	0.2
67.05495	0.4
69.03423	3.1
69.07059	0.3
71.01346	0.4
71.04996	0.2
71.42097	0.2
73.02906	4.1
79.05499	0.8
81.03400	0.7
81.07050	1.7
83.04944	0.2
85.02899	7.1
85.03428	0.3
86.03219	0.2
87.04459	0.4
91.05469	100.0
92.05798	0.3
92.08719	0.4
92.09291	0.4
93.07038	0.9
95.04959	0.2
95.08615	0.7
97.02888	7.5
99.04424	0.4
103.03945	0.3
105.07020	1.3
107.04946	0.7
107.08601	1.0
109.02879	0.4
109.10148	0.4
111.04444	0.2
115.03911	1.9
117.06999	0.8
119.08572	0.9
121.06486	0.2
121.10138	0.3
122.21070	0.2
123.04498	0.2
123.11705	0.4
127.03905	1.2
128.06207	0.3
129.06973	0.9
131.04890	0.4
131.08504	0.2
132.06496	0.3
133.04962	2.2
133.06453	0.2
133.10121	0.4
135.11702	0.3
137.02370	0.3
137.05981	1.1
143.08583	0.8
145.04942	1.3
145.06438	0.4
145.10075	0.3
147.08139	0.2
149.09558	0.3
151.03880	2.7
151.10988	0.2
159.08031	0.2
161.05954	0.4
167.03371	1.2
171.08057	1.1
175.07518	0.4
176.07904	0.3
189.08929	0.3
191.26729	0.2
195.10124	0.3
203.10655	1.1
204.11058	0.7
221.11711	0.2
227.07036	0.8
244.77571	0.2
245.08075	3.8
330.14124	0.2
366.48602	0.2
375.67111	0.2
376.18283	0.3
492.01114	0.2
555.27972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	4.2
55.05506	0.8
57.03428	9.3
58.91389	0.3
59.04977	0.6
61.02908	6.6
65.03925	1.1
67.05485	1.0
68.94539	0.4
69.03413	15.5
69.07058	3.7
71.01327	1.9
71.04978	1.9
73.02898	27.5
79.05504	0.4
81.03395	2.2
81.07041	4.7
83.05002	0.5
83.08566	0.5
85.02888	28.5
85.06519	1.1
87.04455	1.9
91.03928	1.8
91.05460	100.0
93.07026	2.2
95.05020	0.4
95.08579	2.9
95.65405	0.4
97.02870	20.4
99.04426	1.0
103.03935	0.7
103.05408	0.5
105.07008	2.1
107.08597	2.7
109.02868	2.3
109.10124	2.2
111.08064	0.6
115.03918	7.8
119.08556	1.0
121.10107	2.4
122.03625	0.7
123.08076	0.9
123.11690	2.0
127.03893	6.6
131.04907	0.9
133.04948	5.8
133.10123	1.0
135.11679	0.8
137.05949	18.0
137.13239	0.5
143.08592	0.5
145.04956	5.2
147.04413	0.6
147.11670	1.8
149.02348	0.9
151.03897	0.8
151.11195	0.7
153.12747	0.6
155.03368	0.4
159.11618	0.4
163.06006	1.8
163.07492	0.7
165.12709	0.5
167.03348	4.2
175.07492	2.1
179.07098	0.8
181.08539	0.8
183.13739	0.6
187.07539	0.4
193.04922	0.6
203.03343	0.7
203.10704	1.5
204.11044	0.7
223.05894	0.5
233.04434	2.2
239.06923	0.4
245.08069	4.7
259.08109	0.7
269.08002	2.0
293.08179	0.9
311.09088	1.9
323.09189	3.1
323.25748	0.8
341.10172	2.6
359.10971	3.6
371.11380	0.6
389.12241	0.6
464.46954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01870	5.6
55.05506	0.3
57.03428	8.9
57.65099	0.3
59.04987	0.7
61.02922	3.7
65.03924	1.3
67.05495	0.6
69.03416	11.8
69.07059	0.6
71.01345	2.2
71.04967	0.5
73.02898	11.2
79.05477	0.5
81.03399	2.0
81.07038	2.0
85.02890	23.2
85.06529	0.4
87.04459	1.6
91.05463	100.0
93.07018	1.5
95.08575	1.7
97.02876	15.8
97.10193	0.4
97.10778	0.3
99.04438	1.8
103.03939	1.6
103.05434	0.4
105.07011	2.0
107.08602	0.7
109.02861	1.6
109.10134	1.2
111.08030	0.4
115.03922	5.1
116.98629	0.3
119.08595	0.7
121.10101	0.4
127.03883	4.2
133.02769	0.4
133.04938	5.5
133.06470	0.7
133.10031	0.3
135.04425	0.5
135.11664	0.6
137.05939	3.5
137.13246	1.4
145.04941	4.1
147.04454	0.4
149.02408	0.4
150.13318	0.3
151.03844	0.5
151.07536	2.0
161.06038	0.5
161.13200	0.6
163.03951	0.6
163.06035	1.2
165.09099	0.4
167.03392	1.7
167.07066	0.4
175.07530	0.5
177.09087	2.0
179.14320	0.5
205.12149	0.4
219.10124	2.7
233.04451	0.5
239.07204	0.4
241.07022	0.6
245.08044	6.0
259.08188	0.4
269.08051	1.3
290.83759	0.3
311.09064	0.7
323.09061	0.5
335.09619	0.4
343.43341	0.3
353.10004	0.5
359.11133	0.3
371.11267	0.6
389.12369	0.7
456.60828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
51.48613	0.5
53.03933	3.3
53.04159	0.5
55.01859	2.2
57.03420	0.9
68.99773	1.1
69.03401	0.7
73.02887	0.7
76.56625	0.6
77.03854	0.5
79.05486	0.6
81.03400	1.9
81.07047	0.8
85.02892	5.1
87.14860	0.5
91.05457	1.2
93.03351	2.1
95.04945	10.0
97.02855	0.8
103.05483	0.6
105.03375	100.0
105.04497	2.5
105.06973	0.6
107.04909	3.7
109.02866	3.2
109.10130	1.1
115.05497	0.5
119.04928	2.1
121.02839	7.9
121.10182	0.7
123.04433	1.2
129.06934	0.7
131.04921	0.9
133.02791	0.8
135.04379	3.1
137.05942	1.2
139.03905	0.6
145.02888	0.8
145.06516	1.1
147.04384	4.7
149.02257	0.7
149.05975	0.8
151.03804	1.0
153.01782	0.5
157.06404	0.9
159.04425	2.2
161.02245	1.0
161.05869	0.8
163.03880	1.0
165.01802	2.1
168.92325	0.6
169.01303	0.8
171.04448	2.3
171.08063	0.6
173.02313	2.1
173.05963	2.9
175.00241	0.6
175.03810	4.2
175.07356	0.6
177.01819	4.8
177.05353	0.7
179.03484	0.8
183.02870	0.6
187.03854	4.2
187.07507	0.7
189.01755	9.6
189.05402	0.8
191.03343	2.8
193.01302	0.9
195.02858	13.4
195.04466	0.9
201.01776	7.0
201.05504	3.5
203.03424	2.8
205.01390	0.9
205.04936	1.2
207.02859	8.2
209.05965	0.5
213.05476	1.0
215.03337	7.0
217.04932	1.2
219.02858	13.6
221.00774	3.1
221.04228	1.6
223.02283	1.2
225.03819	1.3
227.03351	1.9
229.04886	3.2
231.02908	6.8
233.04367	4.7
237.05502	2.8
239.03368	1.1
241.04924	0.9
243.02876	8.0
243.06503	2.6
245.04436	1.8
249.03841	2.5
251.07027	0.9
253.04831	0.8
255.02824	3.2
255.06425	8.3
257.04309	2.0
261.03754	7.1
267.02963	0.9
267.06473	7.4
269.04565	1.1
273.04022	4.3
274.10294	0.5
278.03485	0.5
279.06497	8.4
281.04391	3.5
281.07932	0.6
283.05948	2.8
285.03900	3.2
285.07489	4.2
287.05017	0.7
291.05692	0.7
293.07925	2.4
297.03839	2.7
297.07535	5.7
299.05426	0.8
305.07947	1.0
309.03891	2.4
309.07526	8.3
315.04889	0.7
315.08548	0.7
321.03952	1.1
321.07465	14.5
327.05182	0.6
333.07498	5.3
335.09195	1.1
337.07056	0.7
339.04868	1.0
339.08578	8.9
345.07562	2.8
351.08542	12.8
359.09006	1.2
363.08505	10.3
368.60959	0.6
369.09589	3.4
375.08533	9.0
381.09781	5.3
385.09003	0.6
387.08926	6.9
399.10477	3.2
401.10468	0.6
405.09723	6.7
417.09958	4.4
423.10660	3.3
429.09598	1.1
435.10751	4.2
441.11768	3.8
447.10431	2.7
453.11868	8.9
465.11462	2.9
483.12677	2.6
501.13449	2.5
526.75952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51285	4.8
53.03934	9.4
54.82095	5.5
55.05507	47.0
59.05005	4.3
60.88064	4.4
66.67496	5.3
67.05492	49.0
69.03410	7.0
69.07054	12.9
71.04974	57.8
79.05481	50.1
81.07049	76.6
81.54001	5.0
83.04985	41.8
85.06535	27.2
89.12538	4.6
91.05466	91.2
93.07029	100.0
95.04956	43.6
95.08594	46.7
97.06521	10.9
100.62283	5.0
105.07031	44.7
107.08592	30.4
109.06494	27.3
109.10149	8.4
109.87675	5.8
119.08583	28.0
121.06473	5.2
121.10141	6.2
131.08420	8.1
133.10136	7.4
137.09660	8.2
141.09088	7.1
145.10098	19.5
159.11668	6.2
193.08592	24.8
262.67599	5.6
286.20041	62.0
367.48056	6.2
402.85562	6.3
484.51199	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	554.462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06859	2.7
57.07072	50.4
59.76657	3.2
67.05476	5.3
71.08607	29.6
73.06516	5.6
79.05447	4.6
81.07036	8.8
83.08660	4.6
85.10161	20.6
89.06010	100.0
93.07038	19.5
95.08580	6.0
96.75003	3.7
105.07032	6.2
106.13603	3.4
107.08551	5.3
116.76113	3.4
119.08558	5.6
121.10095	4.6
133.08594	29.0
133.10143	4.9
176.91856	3.9
177.11157	15.0
203.17847	4.5
211.24042	4.7
225.04280	6.6
245.47076	4.5
283.17575	5.3
327.19876	4.6
343.32117	5.3
373.28302	4.3
496.97470	4.0
537.43500	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	1.5
57.03428	1.2
59.04995	1.7
64.33582	1.2
65.03936	4.4
67.05494	1.7
68.40815	1.1
69.03401	4.6
69.07068	8.5
73.02881	1.4
75.21089	1.0
79.05480	10.4
80.36365	1.0
81.03394	2.0
81.07047	8.6
83.29647	1.4
85.02903	9.7
85.06542	1.4
90.34820	1.1
91.05466	13.7
93.03394	5.7
93.07033	13.1
94.04179	1.7
95.04958	17.8
95.08588	4.7
97.02876	5.7
100.88657	1.1
103.05454	5.6
105.07018	12.3
107.04945	38.4
107.08575	2.5
109.06513	1.5
109.10150	2.7
111.04443	12.4
115.03889	1.2
115.05446	4.5
115.98631	1.1
117.06992	1.7
119.04931	4.5
119.08586	1.5
121.06447	9.7
121.10106	1.8
122.03622	2.7
123.04399	19.6
123.11732	4.9
124.05199	6.0
125.05958	14.4
128.06206	6.8
131.04936	1.7
131.08501	1.5
133.06468	6.2
135.08020	4.8
135.11687	1.5
137.05963	79.4
139.07454	1.2
140.04663	6.3
142.07698	1.2
143.08546	41.9
145.05014	1.4
145.06476	8.0
145.10130	7.2
147.04382	4.8
149.05974	5.4
149.13235	2.4
151.03912	14.6
151.07521	20.3
152.04590	2.4
153.05443	18.3
155.07018	5.9
157.10197	1.4
158.07263	5.3
159.08121	1.7
162.06764	1.9
163.07454	9.9
165.09128	8.7
166.06245	7.0
167.07011	72.5
168.04097	1.3
171.06528	1.8
171.08018	48.2
172.08791	1.8
173.06020	2.3
173.09637	6.6
175.07437	1.2
175.11203	1.4
177.09134	4.4
181.05084	3.7
181.08560	64.2
183.06519	12.7
188.08307	34.0
189.09045	1.7
193.08746	1.4
195.10112	15.5
201.09175	8.3
203.10655	100.0
211.09624	1.3
219.10197	5.4
221.11702	23.6
233.11784	4.6
251.12666	11.7
272.09134	1.1
280.03436	1.1
293.11664	2.1
334.02917	1.1
357.16919	33.4
375.17816	8.6
451.96109	1.3
522.77539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01850	1.0
57.99257	0.7
58.47890	0.5
59.04978	1.2
61.02914	2.8
62.67874	0.6
65.03925	2.9
69.03398	5.0
69.07069	6.1
75.13255	0.7
79.05476	8.1
81.03405	1.2
81.07027	3.3
84.53605	0.6
85.02889	16.9
91.05454	7.9
93.03384	4.3
93.07012	5.8
94.04227	0.8
95.04950	14.3
97.02888	6.1
103.05453	4.5
105.04549	0.7
105.07021	12.0
106.04120	0.8
107.04939	38.7
109.02905	1.1
109.06477	1.2
110.03626	1.2
111.04430	9.5
115.05469	0.9
117.07026	3.6
119.04973	4.8
120.05667	1.0
121.06479	9.7
122.03609	5.1
123.04413	18.4
124.05183	4.0
125.05953	11.6
127.03888	2.7
128.06201	4.3
129.06958	1.1
131.04889	3.1
131.08542	3.0
133.06461	9.1
135.08041	7.1
137.05959	89.4
138.06454	0.7
140.04648	5.2
143.08549	25.2
145.04936	1.6
145.06497	6.9
145.10107	4.9
147.04399	2.8
147.08064	1.2
148.05215	0.8
149.05949	2.7
151.03897	28.6
151.05008	2.5
151.07526	19.1
152.04637	3.0
153.05450	14.4
154.06265	1.0
155.06979	7.7
157.06529	1.2
158.07251	3.4
159.08012	3.3
161.09579	1.2
162.06647	4.8
163.07515	10.9
165.09077	11.7
166.06172	5.9
167.07007	100.0
171.08012	36.5
172.08710	1.6
173.05939	2.6
173.09596	6.8
175.07629	1.2
175.11131	0.9
177.09087	4.4
179.07030	0.9
180.08702	1.3
181.05000	12.5
181.08557	52.2
183.06535	9.0
186.06725	0.8
188.08286	21.0
189.09131	3.5
191.10655	3.3
195.10132	16.5
201.09116	8.0
203.10648	69.2
211.09665	1.0
219.10120	8.7
221.11691	32.8
222.19864	0.7
223.13385	1.2
233.09554	1.0
233.11716	3.7
251.12732	27.1
273.51364	0.7
325.14447	1.6
357.16916	30.8
375.17929	23.5
384.28809	0.7
392.91934	0.7
483.20816	0.7
535.33215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01857	2.9
55.05497	1.2
57.03429	1.6
59.04997	0.7
60.64919	0.6
61.02910	1.4
67.05506	0.9
69.03418	3.1
69.07053	3.3
71.04974	1.2
73.02888	1.5
79.05466	7.4
81.03405	1.1
81.07026	6.8
81.88652	0.7
85.02899	9.2
85.06373	0.7
91.05470	7.7
92.08673	1.0
93.07020	6.1
95.04967	3.3
95.08586	4.4
97.02870	3.3
97.10143	2.7
103.05450	4.3
105.07015	16.6
107.04939	16.2
107.08566	3.1
109.02841	0.7
109.06500	0.9
109.10126	3.8
115.05435	7.0
117.06989	10.1
119.04927	3.6
119.08565	3.2
121.06474	4.7
121.10139	1.3
123.04477	1.7
123.08028	0.6
123.11703	3.5
125.09523	0.8
127.03908	1.1
128.06194	5.8
129.07028	1.2
130.31477	0.7
131.04903	4.7
132.05655	1.2
133.06473	12.8
135.08046	4.8
135.11682	1.1
137.05965	10.2
143.04945	2.5
143.06018	0.8
143.08554	15.2
144.05667	1.5
145.04951	1.0
145.05376	0.9
145.06479	9.6
145.10086	3.3
146.07272	5.6
147.04367	2.8
147.08025	4.6
147.11687	1.2
149.05983	3.2
149.89424	0.7
151.07532	8.6
152.04657	0.8
153.05418	3.9
157.06500	1.0
158.07367	1.1
159.08060	2.8
159.11668	0.8
160.05180	2.9
160.08775	3.1
161.05937	11.5
161.09579	6.1
162.06750	7.4
163.03854	6.8
163.07518	9.8
165.09117	1.3
167.07002	29.2
167.08415	1.2
171.08029	11.5
172.08801	1.1
173.05986	0.9
173.09685	0.8
174.06610	1.0
175.07509	79.2
175.11142	15.0
176.08063	0.7
177.09042	7.2
178.06209	12.2
179.10634	1.7
180.08746	0.9
181.04942	1.4
181.08560	18.8
187.07497	1.3
188.08275	14.5
189.09090	1.6
191.10614	0.9
193.08580	19.0
193.10149	1.3
194.09372	1.5
195.10130	14.6
203.10640	49.0
221.11681	18.7
237.09009	0.9
251.10524	0.8
265.12186	1.2
267.10239	1.0
303.23135	1.6
311.12656	1.3
321.24286	1.4
329.13812	3.6
339.25085	1.4
357.16907	1.2
375.17947	100.0
376.18402	1.3
405.18924	3.0
554.33435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
53.47104	0.6
59.04982	0.9
61.02913	0.9
61.38375	0.7
65.03922	5.1
67.05483	1.0
69.03414	3.1
69.07050	6.8
69.47057	0.6
70.85603	0.7
79.05473	9.8
81.03412	1.2
81.07034	3.4
85.02883	8.0
91.05466	8.0
93.03368	6.6
93.07022	8.8
95.04962	15.5
95.08604	1.3
97.02863	3.7
97.06520	0.7
103.05470	2.8
105.04501	0.9
105.07005	7.7
107.02817	0.7
107.04947	32.1
109.02883	0.7
109.06511	1.5
110.03705	1.4
110.52219	0.9
111.04430	10.3
111.76427	0.7
115.05404	1.3
117.07002	2.0
119.04907	4.1
119.08527	1.0
121.06474	9.2
122.03608	4.9
123.04411	20.3
124.05187	5.2
125.05976	11.2
128.06219	3.7
129.06981	0.9
131.04904	3.3
131.08560	1.2
133.06493	7.0
135.08035	4.3
137.05959	86.9
138.06830	0.9
140.04645	7.0
143.08551	36.8
145.04965	0.7
145.05377	0.8
145.06458	9.4
145.10089	7.6
147.04414	1.9
147.08028	1.2
148.05133	1.1
149.05980	3.1
151.03880	12.3
151.07518	16.2
152.04675	1.6
153.05440	16.0
155.07018	6.9
155.08284	1.0
158.07217	3.4
159.08084	1.7
160.08836	1.4
161.05898	1.0
161.09546	1.1
162.06734	4.2
163.07547	8.2
165.09067	8.3
166.06229	7.0
167.07007	73.6
171.08018	55.5
172.08749	3.4
173.05954	3.1
173.09576	11.7
175.11102	0.9
177.09084	4.7
179.07088	1.1
180.07787	1.2
181.04961	4.4
181.08559	70.2
183.06487	15.0
184.22527	0.8
188.08286	34.2
189.09050	1.6
191.10628	0.9
195.10129	15.9
201.09090	8.9
203.10643	100.0
204.11023	1.1
211.09634	0.9
219.10150	4.9
221.11685	29.7
221.13751	1.4
223.13332	1.0
233.11740	4.5
251.12712	13.4
269.31570	0.9
293.11523	0.8
325.14160	0.9
357.16931	39.2
375.17786	9.8
406.56561	0.9
423.56778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.2
51.83290	0.2
53.03939	0.4
55.01877	0.5
57.03431	0.4
61.02920	0.5
66.04707	0.3
67.05505	0.3
69.03414	1.8
69.07064	0.4
71.04976	0.2
73.02883	0.3
77.03876	0.2
78.04715	0.8
79.05479	3.4
81.03407	0.9
81.07044	1.0
85.02894	6.4
91.05463	3.3
92.08945	0.4
93.07024	0.4
94.04174	1.1
95.04953	1.1
95.08588	0.8
97.02859	2.3
97.10161	0.2
98.59296	0.2
99.04437	0.3
103.05453	10.3
105.04511	0.2
105.06348	0.3
105.07012	4.5
106.04160	0.4
107.04946	5.5
109.02864	0.4
109.06532	0.8
109.10147	0.3
115.05421	1.6
117.06936	0.7
119.04935	1.7
119.08524	0.2
120.05725	0.3
121.06501	1.0
122.03631	6.0
123.04416	1.8
123.08034	0.8
123.11674	0.3
123.18688	0.2
124.05167	1.6
125.05984	0.5
127.03899	1.1
129.06982	1.0
131.04912	16.0
131.08600	0.2
133.06476	5.6
135.08029	4.8
136.05119	0.2
137.05963	100.0
138.06303	0.4
141.06990	0.4
143.04849	0.4
143.08548	1.1
144.05569	0.3
145.04926	0.8
145.06483	1.5
145.10120	1.6
147.04410	1.0
147.08029	1.6
149.05865	0.3
151.03836	0.3
151.07535	8.7
152.04666	0.4
155.08524	0.2
157.06519	0.9
158.07271	1.6
159.08067	0.8
160.05174	0.7
161.05989	2.4
162.06709	0.3
163.07521	29.7
165.09106	2.0
167.07010	41.4
168.07419	0.2
169.06474	0.3
171.07996	0.8
172.05115	0.2
173.09593	2.9
174.06619	0.2
175.07520	4.2
175.14699	0.2
176.08022	0.2
177.09108	0.4
179.06984	0.8
180.08626	1.4
181.08591	1.2
186.06679	0.4
187.07523	1.4
188.08217	0.3
189.09067	1.6
190.07912	0.2
193.08553	4.8
195.10197	0.2
201.09073	3.6
203.10658	1.0
205.10086	0.7
207.08177	0.3
207.10013	0.3
218.07245	0.3
219.10139	2.2
233.09535	1.4
233.11685	2.3
250.09978	0.3
251.12773	0.4
261.08984	0.4
265.12149	1.1
273.05164	0.2
278.09402	0.3
281.32233	0.2
293.11652	1.1
302.35703	0.2
325.14267	5.2
357.16888	18.1
375.17953	27.5
376.18317	0.5
545.10931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03939	0.5
55.01865	1.1
57.03432	1.1
57.13024	0.2
58.85596	0.2
61.02914	2.2
67.05502	0.3
69.03419	3.9
71.04985	0.3
73.02899	0.5
78.04674	0.4
79.05475	3.4
81.03391	2.2
81.07044	0.9
85.02892	12.5
87.04446	0.3
91.03941	0.3
91.05460	2.5
92.08694	0.4
94.04165	2.1
95.04972	1.0
95.08582	0.2
97.02860	4.2
99.04478	0.4
103.05452	9.9
105.07000	3.9
106.04171	0.5
107.04942	6.8
109.02852	1.6
109.06511	1.0
115.05435	1.5
117.06999	0.9
119.04942	1.2
121.06490	1.0
122.03632	6.4
123.04434	1.6
123.08063	0.9
124.05190	1.6
125.05958	0.2
127.03893	2.1
128.06200	0.3
129.06970	1.0
131.04907	17.4
131.08548	0.3
132.05717	0.4
133.06490	5.4
135.08023	6.1
137.05957	100.0
141.06984	0.5
143.04909	1.2
143.08549	0.5
144.05681	0.3
145.04955	1.1
145.06488	1.5
147.04359	1.4
147.08047	1.2
147.86176	0.2
149.05968	0.4
151.07513	6.8
151.08644	0.3
152.04663	1.1
153.05530	0.2
157.06453	0.5
158.07217	0.4
159.08031	0.4
160.05145	0.8
161.05911	2.0
163.07512	31.7
165.09071	1.2
167.07005	42.5
171.07970	0.4
173.09633	0.3
174.06721	0.4
175.07475	3.5
177.09055	0.4
179.06937	1.7
180.08632	0.4
181.08513	0.5
187.07530	1.5
189.09093	1.7
193.08560	3.8
201.09003	0.8
203.10612	0.9
205.10153	0.3
207.10139	0.5
219.10149	2.2
233.09483	1.3
233.11530	0.7
261.08975	0.9
265.12152	1.1
278.63434	0.2
293.11578	1.0
325.14236	6.0
357.16885	17.7
375.17953	30.0
376.18060	0.3
415.95740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35844	0.4
51.12373	0.4
53.75393	0.4
55.01872	0.6
57.03426	0.8
61.02925	0.9
67.05502	0.7
68.02447	0.5
69.03423	3.4
71.05003	0.7
79.05479	1.1
81.03408	1.8
81.07056	4.6
85.02899	9.1
85.61167	0.5
91.05476	3.5
93.07037	2.9
95.04944	1.0
95.08607	1.3
97.02886	2.5
105.07021	1.3
107.04942	1.1
107.08585	3.1
109.06534	1.0
109.10143	3.0
111.04449	0.8
115.05437	2.6
117.07024	0.7
119.04929	4.7
119.08545	2.6
120.08897	0.5
121.06482	2.2
121.10107	0.6
122.03638	2.7
123.04421	0.6
125.05988	2.5
127.03899	2.2
128.06218	0.6
129.06993	3.7
131.04932	2.4
131.08572	1.0
133.06421	0.8
133.10098	0.9
135.08058	0.6
137.05960	56.2
137.09544	1.0
143.04936	2.5
145.04988	1.0
145.06494	0.6
146.03584	0.9
147.04387	15.9
147.08116	0.6
147.11732	0.6
149.05936	4.6
151.03947	0.8
151.07558	2.2
153.05447	3.9
157.06485	3.7
160.05206	1.1
161.05949	24.0
163.07497	1.3
165.05626	1.3
165.07024	3.7
167.07076	1.2
173.05980	0.6
174.06734	4.3
175.07523	6.4
177.09172	0.7
179.06999	3.2
179.08482	1.7
182.07204	1.2
187.07523	4.6
188.04671	6.9
189.05481	3.5
189.09081	4.4
191.06992	6.2
193.06477	9.9
194.07213	0.9
195.08061	1.1
197.09637	3.1
201.05302	0.7
203.07011	15.5
205.08513	3.7
207.08066	3.5
208.10780	0.6
209.07913	0.6
210.06737	4.5
211.07651	1.1
211.09627	2.3
215.06995	2.6
219.10126	3.3
221.05966	20.2
221.09651	0.8
224.08287	2.5
225.09079	23.6
227.07030	0.7
233.08040	10.3
234.06723	1.1
235.07518	3.4
237.09143	2.1
238.06276	5.1
239.07069	2.3
239.10643	3.6
247.07994	0.6
249.09032	3.5
251.06903	1.8
251.09167	4.4
252.07722	4.3
253.08546	46.4
254.09322	2.1
255.06403	1.2
265.08643	2.6
266.09244	1.1
267.10104	17.0
268.38846	0.5
269.08060	1.0
270.08762	5.7
277.08615	7.7
280.07217	1.3
285.11166	100.0
294.08923	2.5
295.09500	6.7
297.11118	8.1
299.13107	0.6
309.11200	12.0
327.12225	83.6
335.14780	0.6
339.12482	0.9
345.13284	70.0
357.13284	7.5
375.14148	0.8
534.81781	0.6
554.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01879	0.9
55.05506	13.9
56.96563	1.2
57.03432	1.0
57.07078	6.0
58.74316	0.7
59.04997	2.1
61.77316	0.8
67.05496	13.6
69.03422	6.9
69.07060	38.6
71.04986	5.7
71.08612	1.6
73.02879	0.8
74.97633	0.7
79.05479	11.9
81.03394	1.1
81.07044	100.0
83.04973	7.0
83.08612	11.9
85.02898	5.8
85.06535	13.3
89.98642	1.0
91.05448	9.9
93.07027	36.0
95.04964	4.7
95.08594	50.8
97.02878	1.0
97.06525	6.4
97.10156	3.8
99.04459	4.9
99.08085	8.3
101.06015	1.3
105.07021	22.9
107.04950	0.9
107.07870	1.4
107.08586	36.0
108.15080	1.2
109.06509	10.1
109.09406	1.0
109.10141	26.8
109.10842	1.0
111.08101	3.5
111.11713	5.7
112.67007	0.8
113.09656	0.9
115.32298	0.9
117.07002	1.9
119.08572	13.1
119.20956	0.9
121.05210	0.8
121.06530	1.2
121.10129	21.5
123.08055	6.6
123.11701	19.7
125.09636	1.3
127.07564	5.5
131.08517	6.0
133.10095	12.0
135.02142	0.8
135.08083	1.3
135.11682	28.7
136.99155	0.8
137.09627	4.0
137.13237	16.1
139.07588	1.8
139.11211	1.2
142.07677	1.0
143.08557	1.9
145.10133	7.2
147.11684	31.2
149.09641	3.6
149.13248	26.0
151.11159	8.4
151.14816	1.1
153.12778	3.9
157.10155	3.4
159.11685	7.3
161.13200	11.3
163.11201	1.7
163.14848	3.4
165.12744	11.1
173.13237	1.4
175.11189	4.6
175.14825	1.2
177.12749	11.2
177.16357	1.2
179.14195	1.1
181.12267	1.1
183.13898	0.9
189.16299	0.9
191.14371	1.0
191.18121	1.0
193.12204	9.2
195.13783	28.7
203.17966	1.7
205.19582	3.5
207.13794	1.3
213.14796	19.9
221.18887	1.2
229.14339	5.2
261.22147	1.0
263.20035	1.8
283.24237	1.9
291.26926	1.3
300.07935	0.9
301.25232	1.9
319.26282	37.2
337.27301	31.4
337.31067	1.6
355.28384	26.8
373.29431	22.7
397.56860	1.0
434.19675	1.0
454.30225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.4
53.03942	0.4
55.01862	2.1
55.05502	14.0
56.96562	0.4
57.03429	3.3
57.07059	6.8
59.04983	3.2
61.02900	0.8
67.05488	16.5
68.90556	0.4
69.03412	5.2
69.07051	46.4
70.08183	0.4
70.95172	0.4
71.04964	3.5
71.08611	2.0
72.58227	0.4
73.02897	2.2
73.06516	0.8
79.05471	13.3
81.03400	2.7
81.07034	100.0
82.07352	0.6
83.04966	6.3
83.08601	14.0
85.02889	10.4
85.06525	15.3
89.81398	0.5
91.05456	9.5
93.07021	36.8
95.04945	3.2
95.08581	61.7
97.02859	3.8
97.06517	6.7
97.10121	4.5
99.04422	6.1
99.08068	6.3
101.05991	1.1
105.07007	26.1
106.07333	0.5
107.04935	2.8
107.08575	39.4
108.08936	0.6
109.02869	0.9
109.06487	9.4
109.10139	35.1
111.08063	5.0
111.11692	6.9
113.09651	0.5
114.37160	0.5
115.03873	0.6
115.07524	0.7
117.07021	2.5
119.04919	1.9
119.08562	16.2
121.06498	4.7
121.10120	24.9
122.10475	0.5
123.04459	0.6
123.08035	8.0
123.11675	23.8
123.72680	0.5
125.06006	1.0
125.09618	1.0
127.03905	1.2
127.07540	6.1
127.11140	0.9
128.06267	0.8
129.06963	2.6
131.04941	0.5
131.08551	5.0
133.04950	0.8
133.06512	0.9
133.10101	14.9
135.08029	2.0
135.11668	31.7
137.05965	2.0
137.09634	2.7
137.13242	17.9
139.07556	0.8
139.11157	3.8
141.09094	0.8
143.08537	2.1
145.04926	0.8
145.10106	6.2
147.04369	5.1
147.08098	0.6
147.11659	35.0
149.09619	3.9
149.13240	24.8
151.07562	0.6
151.11160	13.6
151.14803	1.9
153.09116	0.8
153.12753	5.8
155.14325	0.5
157.06526	0.7
157.10103	1.8
159.08061	0.8
159.11661	9.3
161.05969	0.9
161.09602	2.6
161.13208	15.6
163.11156	2.6
163.14815	6.5
165.12691	14.1
165.16374	0.9
167.06989	18.7
167.10689	0.7
167.14314	2.3
169.12219	0.7
171.11621	2.9
173.13245	2.6
175.07510	0.7
175.11079	4.5
175.14793	2.4
177.09096	3.2
177.12682	8.4
177.16351	2.7
179.10640	0.9
179.14247	1.9
181.12190	2.0
183.13803	1.0
185.13155	0.7
187.14880	0.6
187.52695	0.5
189.09065	3.4
189.12743	2.4
189.16406	2.4
191.06898	0.6
191.17934	1.0
193.08562	0.8
193.12210	11.2
193.15808	0.8
195.13757	15.1
199.14841	0.8
201.16402	0.8
203.10703	0.5
203.17876	3.0
205.19496	4.2
207.13719	4.0
207.17375	0.9
209.15364	2.7
211.13324	0.7
213.14755	8.5
213.16287	0.7
221.15318	0.6
221.19009	2.0
223.16902	0.6
223.20419	1.8
229.14236	6.8
231.17450	0.9
241.21605	2.7
249.18306	1.0
259.24170	0.5
261.22134	1.0
263.20023	2.7
273.25754	0.6
279.23215	1.1
283.24231	2.6
301.25235	3.1
309.21091	0.5
319.26254	37.2
320.26590	0.8
337.27289	41.4
343.15424	3.8
355.15305	2.9
355.28339	34.3
373.29401	32.3
422.72217	0.5
551.00781	0.5
553.26257	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01867	5.9
55.05505	4.2
57.03431	12.2
57.07075	2.2
59.04993	0.9
61.02912	5.7
67.05495	8.5
69.03065	0.8
69.03419	16.2
69.07050	7.0
71.01350	2.0
71.04985	0.9
73.02486	0.6
73.02899	17.5
73.03285	0.7
79.05475	5.4
81.03413	3.4
81.07036	25.5
83.08626	2.9
83.55705	0.4
84.41685	0.4
85.02892	63.4
85.06517	0.8
87.04459	2.9
91.03941	3.0
91.05466	2.4
91.44807	0.4
91.57657	0.3
93.07023	26.1
95.04936	0.8
95.08587	21.7
97.02872	25.9
97.10143	3.5
99.04425	3.0
103.03936	2.7
105.07005	1.8
107.08578	26.0
109.02878	4.9
109.06496	1.0
109.10143	24.1
111.11690	0.5
115.03912	13.9
119.08559	1.1
121.10127	13.8
123.11686	99.6
124.11991	0.8
127.03888	15.9
127.11127	0.7
133.04936	19.2
133.10115	2.0
135.07903	0.5
135.11673	49.2
137.13287	0.8
145.04941	22.3
147.11685	2.4
149.13240	100.0
150.13564	0.6
151.11133	0.9
159.11673	0.5
163.05980	16.8
163.14748	3.7
177.16373	0.6
181.12239	0.5
182.79402	0.4
193.12239	0.6
205.19489	75.8
217.06946	0.6
223.06024	1.9
223.16844	2.7
230.14688	0.5
241.06958	2.2
259.08069	9.4
277.09116	2.7
295.10205	25.4
313.11377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
53.03934	1.6
55.01860	8.8
55.05501	14.2
56.96549	1.5
57.03432	18.8
57.07053	9.4
59.04969	2.0
60.60251	1.4
61.02905	8.0
67.05494	29.5
69.03417	24.0
69.07052	25.6
71.01334	2.2
71.04974	2.3
73.02912	13.2
79.05471	23.7
81.03397	2.3
81.07040	98.3
83.04967	6.1
83.08595	14.5
85.02888	38.7
85.06520	3.7
87.04441	3.2
90.30758	1.4
91.05453	17.5
92.08952	1.7
93.07019	53.5
95.04942	8.8
95.08010	2.7
95.08594	67.2
97.02862	18.4
97.06499	8.8
97.10141	3.6
99.04437	1.9
103.03880	1.8
103.21343	1.5
105.07013	24.9
107.04903	2.2
107.08580	91.1
107.09304	3.5
108.08897	1.3
109.02875	3.0
109.06490	6.2
109.10143	55.0
111.08027	3.7
113.09623	20.5
113.42072	1.6
115.03902	8.1
116.01939	1.5
117.06977	6.1
119.04918	2.4
119.08567	14.4
121.06493	6.0
121.10132	65.9
123.08031	2.6
123.11697	52.2
125.06000	13.4
125.09627	4.9
127.03863	9.0
131.08514	7.0
133.04933	6.7
133.10081	11.0
134.10353	1.6
135.08023	3.7
135.11674	26.4
137.05910	2.7
137.09627	3.7
137.13245	6.3
139.07501	8.4
139.11148	1.9
143.08481	1.8
145.10077	11.8
147.04352	13.7
147.11641	12.9
148.12077	1.8
149.09607	8.4
149.13266	26.1
151.11157	2.7
151.96443	1.5
153.09062	7.7
154.84972	1.9
155.10660	1.7
157.10075	1.6
159.11668	5.4
161.13214	7.4
163.11169	6.2
163.14807	41.0
167.07018	1.7
167.10577	3.6
175.14720	2.3
177.16356	71.3
179.17818	2.2
181.12239	2.8
187.14795	11.3
193.12254	1.7
203.17938	8.5
204.18225	8.3
205.15857	34.8
205.19514	2.8
223.16887	100.0
241.18063	16.0
301.21368	2.2
319.22720	5.9
337.23657	6.6
461.57840	1.8
523.25159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05508	4.3
57.03423	7.2
57.07074	1.5
59.05013	0.5
61.02913	3.8
61.76826	0.5
63.75457	0.6
63.79550	0.5
67.05500	5.3
69.03422	10.2
69.07062	5.7
73.02901	10.8
79.05464	5.3
81.03404	1.4
81.07043	23.4
82.07337	0.7
82.50456	0.6
83.04974	0.9
83.08595	1.5
85.02897	37.3
85.06519	0.8
87.04449	2.5
88.10947	0.6
91.03951	0.9
91.05458	3.7
92.08645	1.5
93.07034	16.4
95.04945	1.5
95.08588	14.1
97.02869	18.0
97.06502	0.8
97.10160	3.0
99.04436	1.3
103.03882	0.9
105.07032	3.2
107.08587	17.3
109.02878	4.1
109.06460	0.6
109.10146	16.8
115.03936	7.2
119.08589	3.1
121.10125	8.6
123.11690	100.0
127.03893	10.8
129.06944	0.9
131.08597	0.8
133.04955	10.8
133.10092	1.5
135.11678	49.1
145.04968	13.3
145.10133	2.7
145.39735	0.9
147.04375	1.1
147.11693	3.3
149.09627	0.8
149.13239	25.0
151.11111	1.4
154.80013	0.6
157.10118	0.6
163.05991	8.3
163.14783	1.4
175.11188	0.8
187.14801	0.8
189.59077	0.6
205.19496	49.3
217.07053	0.8
217.15926	0.8
219.10156	1.4
223.05939	0.7
223.16841	1.1
241.07141	0.8
259.08142	5.6
277.09241	1.1
295.10220	12.6
319.22479	1.1
335.25797	0.8
336.26025	0.8
337.23749	1.1
354.26999	0.8
553.26910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05502	20.7
57.03426	12.6
57.07063	7.8
59.04992	5.1
61.02907	2.4
64.39154	1.1
67.05499	24.5
69.03419	13.8
69.07055	62.4
71.04980	8.2
71.54424	1.4
71.67942	1.1
73.02897	6.0
79.05481	18.0
81.07040	100.0
83.04969	12.0
83.08607	17.0
85.02888	24.2
85.06526	9.2
86.10255	1.3
87.04461	1.3
91.05454	13.9
92.08678	1.7
93.07022	42.3
93.07570	2.4
95.04950	7.3
95.08588	46.7
97.02869	10.0
97.06524	9.9
97.10155	3.0
99.04457	1.9
99.08080	6.6
103.03912	1.3
105.07014	61.9
107.08580	51.1
108.08901	1.2
109.06502	16.4
109.10141	49.0
111.08090	2.8
111.11721	14.6
112.86018	1.1
115.03917	2.7
117.07008	4.7
119.08560	37.8
121.10124	31.0
123.08051	9.6
123.11686	27.7
125.09563	2.8
127.03877	2.9
127.07523	4.7
127.11187	12.1
129.07030	1.5
131.08554	5.1
133.04938	2.3
133.10118	32.4
135.08002	2.3
135.11674	26.3
137.09584	6.8
137.13231	6.6
139.11153	6.3
143.08612	2.3
145.10098	9.3
147.04501	1.4
147.11671	66.1
149.09586	9.1
149.13266	8.2
151.11172	13.3
153.12691	2.8
155.08652	1.2
157.10132	3.0
159.11684	7.6
161.11928	2.0
161.13220	36.5
162.13538	1.6
163.05994	1.3
163.11185	3.0
163.14818	6.4
165.12735	30.8
171.11586	3.8
175.11197	6.6
175.14838	2.7
175.99823	1.1
177.12708	1.7
177.16359	1.9
179.14276	6.4
184.07191	1.4
189.12767	1.5
189.16385	2.6
191.18044	1.5
193.12244	15.1
201.16385	5.1
203.17934	29.5
207.13739	13.8
219.17436	1.9
221.19019	20.9
229.14337	8.3
237.18495	6.2
239.20041	16.7
243.15875	12.1
255.19493	7.1
281.22897	1.7
281.55780	1.4
289.25156	1.8
299.23648	2.0
317.24805	9.5
335.25739	31.9
347.41989	1.3
353.26813	63.9
353.31003	2.4
371.27859	7.8
409.99390	1.4
482.25269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01862	4.8
55.05505	21.9
56.56491	0.9
57.03431	8.4
57.07063	6.9
59.04975	5.5
61.02931	1.4
63.58198	0.9
66.44319	0.9
67.05490	26.5
69.03416	13.0
69.07054	73.3
71.04980	8.4
73.02909	8.6
77.91708	0.9
79.05473	18.3
81.03414	1.1
81.07037	100.0
83.04971	10.9
83.08599	17.3
85.02890	20.7
85.06505	8.1
89.94302	1.2
91.05459	13.0
92.69701	1.1
93.07024	43.3
95.04926	7.7
95.08585	52.7
97.02881	8.8
97.06506	12.4
97.10154	5.7
99.04450	2.1
99.08045	7.6
105.07010	61.9
107.08575	45.7
109.02882	1.4
109.06490	23.0
109.10139	52.4
109.10851	2.3
111.08065	6.2
111.11710	12.9
113.09560	1.3
115.03909	4.3
117.06994	1.4
119.08563	43.7
121.06495	1.8
121.10117	32.0
123.08057	12.7
123.11682	30.3
125.09582	5.0
127.03928	2.4
127.07558	3.8
127.11169	12.5
131.08534	6.0
133.04953	4.6
133.06487	1.6
133.10109	25.7
135.08008	1.7
135.11676	22.4
137.05988	1.4
137.09599	4.7
137.13246	5.4
139.11153	7.0
143.08562	1.5
145.04973	1.5
145.10085	12.7
147.11668	70.8
149.09612	8.1
149.13235	10.2
151.07588	1.3
151.11162	12.3
153.12701	4.3
157.10068	4.3
157.12228	1.5
159.11606	8.8
161.13229	39.1
163.11182	5.0
163.14812	9.3
165.12715	33.2
171.11606	5.7
173.13213	2.1
175.11156	6.0
175.14821	2.3
177.16277	1.4
179.14288	7.0
184.07310	1.1
187.14876	2.3
189.12723	4.4
189.16347	2.6
191.17873	1.9
193.12213	23.4
195.13803	2.0
201.16339	2.2
203.17918	21.7
205.15849	1.3
207.13818	13.1
207.17488	1.2
213.16335	1.4
219.17422	5.1
221.18970	20.2
229.14262	9.9
237.18477	7.3
239.20013	13.2
243.15790	15.2
255.19521	10.8
281.22516	1.4
299.23712	5.5
317.24692	14.7
335.25720	40.1
353.22427	2.3
353.26773	68.5
365.23029	1.2
371.27774	11.1
551.41467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
55.05731	0.2
56.99898	0.3
57.07066	0.8
67.05497	3.3
69.03413	1.4
69.07056	2.2
71.04956	0.6
79.05460	3.5
81.07047	6.2
83.04960	0.5
83.08593	1.2
85.06554	0.3
89.71322	0.3
91.05450	5.2
92.09296	0.4
93.06480	0.6
93.07029	8.5
95.04946	2.5
95.08587	4.9
97.06489	0.8
99.04417	0.4
103.05450	36.4
105.07011	8.2
107.04977	0.5
107.08585	5.0
108.13512	0.3
109.06498	2.0
109.10153	2.2
111.08095	0.4
115.05449	0.4
117.07000	3.9
119.08559	8.5
119.99014	0.3
121.06470	1.4
121.10139	3.6
123.08041	0.7
123.11684	0.3
125.05961	0.5
128.06206	0.6
129.07002	2.0
130.07770	0.4
131.04906	100.0
131.08528	3.7
132.05209	0.7
133.10101	3.6
135.08052	1.7
135.11697	1.6
137.05992	0.4
141.06935	0.5
142.07729	0.4
143.08527	2.9
145.06483	0.4
145.10112	5.7
147.08040	0.6
147.11665	2.4
149.09607	1.7
155.08524	1.9
156.09317	0.6
157.10097	2.4
159.08098	0.5
159.11659	2.1
161.09604	1.3
161.13254	3.5
167.08563	0.6
169.10081	1.8
171.11647	2.4
173.09599	1.4
173.13184	2.3
175.11089	0.5
175.14771	1.6
181.10095	0.7
183.11681	0.7
185.13173	0.5
187.11150	0.5
187.14787	0.5
189.12743	1.8
195.11740	0.5
197.09624	0.4
197.13245	0.7
199.14793	1.4
201.16310	0.7
207.13719	0.5
209.13240	0.5
211.14758	0.4
213.16223	0.4
215.14319	0.5
225.16512	0.4
281.18695	0.4
301.79590	0.4
340.38797	0.3
349.25128	1.4
367.26230	4.0
385.27249	2.6
492.68500	0.3
515.31519	22.0
516.31238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01862	4.1
55.05504	4.0
56.81544	0.5
57.03432	9.9
57.07057	2.5
59.04992	0.7
61.02914	4.9
67.05493	8.5
69.03417	12.8
69.07054	7.7
71.01356	2.2
71.04977	2.7
73.02898	11.9
75.91280	0.5
79.05486	5.8
81.03391	2.9
81.07035	19.5
81.07472	0.9
83.04969	1.1
83.08585	2.5
85.02892	38.4
85.06522	0.6
87.04450	1.4
91.05460	8.4
93.07033	14.5
93.07575	1.1
95.04954	0.9
95.08585	28.7
97.02878	16.9
97.10149	3.3
99.04448	1.5
99.08091	1.1
103.03925	2.7
105.07021	29.6
107.08587	14.7
109.02868	5.1
109.10144	24.7
111.04429	0.7
111.11713	3.2
111.42509	0.7
115.03919	9.1
115.07352	0.7
117.07005	1.1
119.08555	25.8
121.10124	19.2
123.11692	12.1
127.03893	11.4
131.08539	1.4
133.04938	8.6
133.10110	17.6
135.08023	0.7
135.11661	11.5
137.05948	0.9
137.09628	0.8
137.13187	4.2
139.11174	5.1
145.04936	10.9
145.10101	3.4
147.11670	61.6
149.13249	1.3
153.01794	0.7
159.11697	1.4
161.13239	10.5
163.06003	5.1
163.14827	3.2
165.12671	1.2
170.41002	0.7
175.14766	4.5
191.17964	3.0
193.19556	1.1
195.12010	0.7
197.11772	0.8
203.17929	100.0
204.18393	0.7
221.18971	50.4
239.20013	9.3
241.07072	2.3
259.08038	3.4
295.10199	4.9
383.24350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05504	2.0
58.37387	0.7
60.05642	0.9
62.84035	0.6
65.37100	0.8
67.05482	3.5
69.07061	12.8
74.09695	5.2
75.32168	0.7
79.05480	5.0
81.07040	6.0
83.08609	12.2
86.92723	1.0
91.05457	7.6
93.07024	13.6
95.04965	1.9
95.08573	6.7
96.03381	0.9
105.07008	12.5
107.04914	1.3
107.08601	10.5
109.06542	2.7
109.10138	4.1
111.08058	1.0
115.05427	1.6
117.06969	7.1
118.89999	0.8
119.08554	7.3
121.06483	65.4
121.10098	4.7
130.07776	2.0
131.08572	6.9
133.10123	3.6
135.08037	100.0
135.11693	1.7
138.49287	0.7
143.08514	1.5
145.10112	52.4
147.11703	3.5
149.09633	5.0
156.09341	0.9
157.10095	0.8
158.10892	1.7
159.11649	12.2
161.09660	1.3
163.11142	1.6
170.97995	0.9
189.16342	1.0
193.15765	0.8
198.58176	1.0
201.16360	48.7
203.17891	1.1
217.15836	1.3
219.17438	17.6
261.18399	1.5
303.05029	0.8
401.67123	1.2
490.63785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
53.09076	1.1
54.78241	1.0
55.01867	11.0
55.05491	7.4
57.03426	23.8
57.07046	1.8
59.04984	2.3
61.02908	9.3
61.91383	1.1
63.07435	0.9
67.05493	12.6
69.03070	1.6
69.03416	29.3
69.07055	15.2
71.01340	2.5
71.04963	5.2
72.04493	1.7
73.02901	29.2
79.05468	9.3
81.03394	3.0
81.07037	26.0
83.04935	2.1
83.08604	5.9
85.02894	67.9
85.06532	2.4
87.04449	5.3
91.03947	1.6
91.05457	17.9
93.07025	25.6
94.07380	1.3
95.04947	2.7
95.08584	42.2
97.02869	34.1
97.10111	1.2
99.04439	2.4
100.33432	1.2
103.03928	5.0
105.07014	54.2
107.08583	36.2
109.02869	2.9
109.10138	29.8
110.36800	1.1
111.08047	2.3
115.03898	14.2
116.84605	1.1
117.06981	2.1
119.08556	33.0
121.10119	23.2
123.08041	2.6
123.11652	9.4
127.03899	12.7
129.64873	1.3
131.04909	1.2
131.08562	2.9
132.06558	1.5
133.04935	15.3
133.10107	39.0
135.11661	2.9
145.04897	15.8
145.10103	4.7
147.11668	77.6
149.13229	5.9
151.11157	1.5
159.11697	4.8
161.13228	19.5
163.05965	6.7
163.07199	1.2
163.14783	7.4
165.12692	5.3
175.14767	9.1
184.81447	1.2
185.13043	1.5
201.16248	2.1
203.14265	2.4
203.17921	100.0
219.17590	2.2
221.15482	2.4
221.18958	26.1
241.06990	1.7
259.08075	5.4
288.74677	1.3
295.10239	5.0
365.23184	2.3
401.06461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01104	1.5
53.03941	3.3
54.29391	1.7
55.01866	3.1
55.05511	21.8
55.07073	1.6
56.96572	1.9
57.03426	14.3
57.07066	4.6
58.34514	1.7
59.04980	9.4
59.72369	1.4
60.27106	1.6
61.02906	8.2
67.05492	61.6
69.03415	24.6
69.07059	21.9
71.04965	7.9
71.30061	1.6
72.08472	2.1
73.02900	15.1
79.05479	41.8
81.03391	9.1
81.06597	3.6
81.07039	68.8
83.04964	13.0
83.08595	3.5
84.04491	9.5
85.02893	37.7
85.06512	8.1
91.05455	42.5
92.09287	1.9
93.07022	96.2
95.04969	14.6
95.08587	100.0
96.54395	1.7
97.02880	20.6
97.06497	9.3
99.04424	2.6
105.06364	3.6
105.07019	73.5
107.04932	2.7
107.08576	97.3
109.06490	10.9
109.10146	50.3
111.08082	7.7
117.07005	16.8
119.08558	69.7
121.06454	4.7
121.10114	65.4
123.08012	15.9
123.11684	14.5
125.09598	10.8
126.05453	3.9
127.03896	3.8
129.06961	2.0
130.07761	3.9
131.08545	38.0
133.04938	8.8
133.10121	38.6
135.08067	3.4
135.11668	31.0
137.09610	13.9
138.05473	3.6
143.08537	7.7
144.09360	2.4
145.04900	2.9
145.10117	71.4
147.11650	24.8
149.09578	8.4
149.13280	3.3
151.11134	14.3
157.10097	6.9
159.11664	46.4
161.13216	52.3
163.11174	2.4
173.13239	16.4
175.14798	3.9
177.12656	2.2
179.14191	3.6
191.17989	8.7
201.16364	72.8
203.17946	2.6
204.08904	2.4
219.11649	3.3
219.17422	56.9
223.44551	2.0
237.18475	14.0
277.17441	3.0
293.17227	2.8
351.25278	3.6
369.26407	2.7
454.30026	2.1
517.22522	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	548.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	0.8
55.01860	4.3
55.05497	3.4
57.03428	7.4
57.07057	1.6
58.22835	0.7
59.04992	1.5
61.02911	3.2
67.05495	11.8
68.28500	0.7
68.84763	0.7
68.92067	0.7
69.03407	9.1
69.07055	7.4
71.01322	1.1
71.04935	1.1
72.08150	0.8
73.02898	10.6
79.05481	7.6
81.03376	1.2
81.07034	15.3
83.04968	1.3
83.08595	1.2
85.02895	15.6
86.09707	1.4
87.04440	0.8
91.05453	11.2
92.64761	0.9
93.07015	14.8
95.04984	2.4
95.08586	13.7
95.81277	0.8
97.02436	0.6
97.02880	9.0
97.06492	1.2
97.10153	0.8
105.07010	26.1
107.08573	13.0
109.06472	1.5
109.10136	50.8
111.08019	1.1
115.03918	1.9
117.06989	16.4
119.08545	22.1
121.10098	9.0
123.11664	5.7
127.03892	3.8
129.06961	1.4
130.07767	3.3
131.08537	20.3
133.04927	4.8
133.10114	9.2
135.08018	1.5
135.11687	4.1
137.09550	0.9
142.07730	1.4
143.08543	3.0
144.09363	1.3
145.04955	3.1
145.10101	46.9
147.11624	6.1
149.09558	0.9
149.13138	1.0
157.10123	3.2
158.10799	1.3
159.11662	28.3
161.13263	6.8
163.06042	0.9
163.11188	2.9
173.13248	7.4
175.14709	1.1
177.08856	3.3
191.17993	1.4
201.16348	100.0
203.17928	5.6
215.87794	0.8
219.17380	15.6
237.18462	3.3
252.45926	0.8
277.17477	1.2
293.17133	11.5
294.14279	0.9
294.17441	5.8
333.20502	3.1
363.21732	1.1
472.58688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57992	0.9
53.03934	5.7
53.88983	1.0
55.01864	11.5
55.05502	16.9
57.03431	14.2
57.07057	2.3
59.04984	5.4
61.02911	7.3
65.03946	1.8
67.05493	40.4
69.03120	1.4
69.03417	24.2
69.07051	19.0
71.04980	14.8
73.02901	20.7
79.05476	35.8
81.03392	1.8
81.07038	98.1
83.04967	8.1
83.08613	8.9
85.02888	44.9
85.06520	5.2
87.53915	1.4
91.05466	37.9
93.07024	80.6
95.04939	10.3
95.08009	2.1
95.08588	49.6
97.02869	22.1
97.06502	7.0
97.10157	2.3
99.04429	2.2
103.05443	1.7
105.07013	83.6
107.04945	2.6
107.07866	2.2
107.08579	56.4
109.06499	12.3
109.10136	54.1
111.08047	8.8
115.03891	9.5
117.06998	20.1
119.08553	61.2
121.06482	11.5
121.10117	41.5
123.08042	6.7
123.11688	14.6
125.09637	6.8
127.03913	7.5
127.11141	11.4
129.07001	6.0
130.07770	6.5
131.08539	40.1
133.04944	9.8
133.10103	35.3
135.08008	12.9
135.11682	15.2
137.09576	6.0
143.08536	3.2
144.09315	3.2
145.04939	9.7
145.10109	100.0
147.11670	12.0
149.09581	3.3
149.13243	5.1
151.11160	14.4
155.07249	1.3
157.10107	5.0
158.10814	1.5
159.11661	56.3
161.13220	36.3
163.06015	4.8
163.11121	11.4
171.11711	1.9
173.13234	11.6
175.14803	7.2
177.12689	2.1
187.42474	1.5
191.17976	3.2
199.14711	1.9
201.16356	65.5
201.18208	2.8
219.17415	60.5
235.23511	1.3
237.18420	13.7
246.12376	1.3
275.12509	1.4
277.17703	3.2
278.17953	2.0
293.17258	2.9
569.28265	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01854	8.6
55.05505	13.0
57.03206	1.3
57.03436	19.2
57.07053	1.4
58.60791	1.6
59.04992	2.4
59.30826	1.3
61.02904	8.5
64.42605	1.5
66.56048	1.3
67.05491	38.9
69.03415	23.2
69.07049	26.5
69.82429	1.5
71.01336	2.1
71.04975	9.2
73.02912	19.1
74.68911	1.3
77.43137	1.4
79.05471	37.9
81.03398	3.4
81.07037	100.0
83.04964	8.2
83.08608	3.6
85.02890	45.5
85.03367	3.0
85.06529	3.0
85.45915	1.5
86.93989	1.5
87.04451	2.9
91.05462	34.1
93.07023	70.8
95.04411	1.8
95.04938	13.4
95.08582	51.8
97.02883	25.2
97.06513	7.9
97.10180	1.9
99.04418	2.1
99.08099	2.1
105.07012	86.3
107.07864	3.1
107.08576	61.7
109.02867	2.7
109.06494	10.3
109.10133	42.2
111.08060	8.3
115.03917	10.0
115.05418	2.5
117.02253	1.4
117.07013	23.0
119.08553	44.0
119.09386	2.1
121.06470	30.3
121.10112	38.5
123.08044	8.0
123.11697	8.4
125.09602	8.2
126.05508	3.2
127.03876	8.3
127.11173	8.8
129.06956	5.6
130.07764	6.3
131.08546	39.0
133.04955	9.8
133.10107	30.4
135.08044	39.3
135.11664	17.1
136.27980	1.5
136.59108	1.6
137.09589	3.7
138.05481	8.7
142.07753	1.6
143.08543	3.5
144.09312	6.4
145.04961	6.4
145.10106	81.5
147.11687	11.8
149.09650	3.4
149.13220	5.9
151.11194	14.1
157.10110	3.6
159.11652	54.8
161.13237	36.8
163.05998	2.0
163.11160	10.0
173.13231	13.3
175.14745	9.9
191.17857	2.7
192.10826	1.6
201.16354	53.4
204.08585	2.1
219.17410	62.6
237.18494	12.9
245.99268	1.6
285.21991	1.7
333.24020	2.1
351.25323	3.5
439.82791	1.6
488.63187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.8
53.03931	3.4
55.01871	3.0
56.89802	0.6
57.03421	3.0
61.02910	5.7
69.03417	45.9
70.06567	0.7
71.78082	0.7
73.02881	1.0
78.04718	0.9
79.05486	2.9
81.03412	5.2
82.62410	0.7
85.02892	36.5
85.58585	0.7
87.04475	0.8
91.05457	2.9
95.01312	9.2
95.04942	11.9
97.02865	11.6
97.06504	1.1
99.04444	1.6
103.05429	0.9
105.07035	3.0
107.04958	10.6
109.02869	1.8
115.03963	1.3
116.06239	1.4
119.04920	5.0
123.04406	17.8
125.05981	8.2
127.03886	4.9
131.04926	7.8
133.06488	3.8
133.10028	0.8
134.07211	0.9
135.08026	5.7
137.05966	4.9
140.04671	18.0
141.52359	0.7
145.04971	3.0
147.04422	4.4
151.07526	4.6
153.05446	9.4
155.07018	33.2
161.05972	1.7
163.07545	15.1
165.05412	1.0
165.80757	0.7
167.07004	77.2
169.04984	1.1
169.06451	0.7
171.08051	1.2
173.08168	1.1
175.07567	1.5
179.06984	8.9
180.07794	10.8
181.04939	1.7
187.07483	1.2
189.05446	1.5
193.08557	1.0
194.09354	81.4
195.10086	12.3
199.07614	1.5
200.08253	0.8
201.05405	0.8
201.09084	1.2
203.07118	1.2
205.08615	1.3
211.09616	1.2
215.05443	8.0
215.07115	0.7
221.08075	2.9
223.09581	0.9
227.07019	3.3
229.08527	1.2
233.08051	1.3
243.60686	0.7
252.22269	0.8
257.08258	1.0
261.11234	0.9
271.09692	0.9
289.10657	4.2
336.64249	0.8
341.80875	1.0
369.11740	100.0
377.37415	0.8
454.57144	0.8
560.21411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21243	0.9
53.03928	2.0
53.34723	0.9
54.55361	0.8
55.01865	20.3
55.05487	5.6
56.96532	1.0
57.03426	52.7
59.04984	2.5
61.02640	1.3
61.02914	24.3
67.05487	9.7
69.03414	68.3
69.07041	2.5
70.96322	1.0
71.01341	7.6
71.04962	4.3
73.02899	100.0
79.05467	10.0
81.03416	10.8
81.07037	58.4
83.04955	2.4
85.02885	99.6
85.06508	1.0
85.58242	1.0
87.04419	7.5
87.47923	1.0
91.03944	2.3
91.05450	9.4
91.92845	1.0
92.09283	1.7
93.07024	20.9
95.04951	7.7
95.08585	30.3
96.04469	1.0
97.02867	82.4
97.10146	1.1
98.06040	1.0
99.04395	5.7
103.03926	4.4
105.07019	22.8
107.08573	18.4
109.02861	7.3
109.10123	8.2
111.08054	1.2
112.72057	1.0
113.06007	1.2
115.03902	39.0
117.06979	1.5
119.08554	37.1
121.06503	1.9
121.10123	6.9
123.08008	1.3
123.11666	7.4
127.03883	24.5
131.08546	4.5
133.04933	26.2
133.10080	17.4
135.08041	1.9
135.11687	8.9
143.08554	2.0
144.06598	1.9
145.04929	19.3
145.10104	4.9
147.08014	2.1
147.11653	9.5
153.09158	1.7
157.10069	5.7
159.11601	10.9
161.09566	2.3
161.13216	22.8
163.05983	5.3
171.11615	2.1
173.13286	1.7
189.16344	41.4
193.05009	1.3
217.15831	14.8
223.06033	2.5
234.80922	1.2
235.16870	23.1
241.06992	5.6
259.08078	4.3
301.18027	1.4
313.17975	1.5
331.18942	2.3
545.33783	1.9
546.34375	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	546.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01867	20.0
55.05496	8.2
56.96547	1.0
57.03430	50.3
57.07061	2.1
59.04976	6.2
60.04498	1.4
61.02916	14.2
64.33531	1.2
67.05499	13.1
69.03417	47.1
69.07067	8.9
70.35600	1.1
71.01333	9.8
71.04969	7.0
73.02901	73.0
79.05472	12.9
81.03388	7.3
81.07041	53.3
82.95752	1.2
83.04958	5.8
83.08588	5.1
85.02891	87.1
85.06525	1.7
87.04441	7.7
90.38023	1.4
91.03932	1.5
91.05025	1.1
91.05463	15.7
93.07025	35.7
95.04935	10.1
95.08584	29.5
97.02868	70.7
97.06487	2.5
97.10146	2.2
99.04415	8.7
103.03954	4.7
105.07012	30.2
107.08571	18.1
109.02873	6.3
109.06509	5.7
109.10148	12.9
111.04431	4.8
111.08054	2.1
115.03904	33.8
116.30669	1.1
117.07015	2.4
119.08534	24.7
121.06480	5.0
121.10107	8.6
123.04366	5.4
123.08006	2.1
123.11684	12.7
125.05992	2.0
125.09585	1.3
127.03873	17.7
129.07014	1.3
131.08551	5.2
133.04935	20.9
133.06476	5.0
133.10101	24.3
135.08002	1.5
135.11662	8.9
137.05922	6.0
137.09563	2.4
139.07471	2.3
143.08485	1.9
144.06554	1.7
144.18698	1.4
145.04933	20.2
145.10121	2.0
147.08014	2.1
147.11684	10.6
149.09598	2.3
149.13304	1.3
151.07520	2.2
151.11189	1.4
153.09082	2.1
157.10123	5.6
159.08002	1.3
159.11684	2.5
161.09573	5.6
161.13260	12.9
163.05980	4.9
173.13100	1.6
177.08823	1.4
179.10634	2.2
189.16357	31.6
193.05119	1.3
199.11740	1.1
212.79277	1.4
217.15869	18.5
223.05980	2.6
233.15244	1.4
234.03484	1.2
235.16887	100.0
241.07077	1.8
259.08032	4.8
261.14487	1.3
275.16083	4.9
277.17761	6.8
278.18094	1.7
291.15781	2.3
293.16998	1.6
313.17792	1.9
331.18954	2.1
339.81085	1.2
349.19977	2.4
487.09076	1.3
545.34674	8.6
546.35291	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	547.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36076	1.4
54.81241	1.2
55.01834	1.5
55.05497	7.2
56.96555	6.9
57.03426	2.5
58.24052	1.2
58.26309	1.3
64.32919	1.8
67.05489	7.2
69.03419	3.9
69.07053	8.8
70.79102	1.4
73.02917	2.6
75.36491	1.6
77.75086	1.3
79.05468	8.9
81.07040	22.1
83.08626	2.3
85.02892	10.8
91.05455	10.5
93.07024	17.1
95.04930	3.2
95.08593	21.4
97.02844	3.5
98.97580	1.9
104.24230	1.4
105.07008	22.3
107.08575	26.6
109.06486	2.1
109.10146	11.6
115.03918	2.1
116.98608	1.9
117.07009	2.2
119.08572	23.6
121.10103	8.7
131.08556	3.5
133.10124	20.1
133.70692	1.5
135.08044	1.6
135.11679	10.4
140.61188	1.6
143.08571	2.9
145.10144	7.3
147.11661	13.8
157.10167	6.5
159.11700	3.6
161.09584	6.7
161.13240	7.2
177.08841	20.8
179.10699	1.8
189.16350	21.8
199.14796	7.1
200.15067	2.2
201.04295	1.9
205.12024	3.8
213.09573	2.3
217.11998	2.5
217.15866	9.2
218.16116	2.8
219.17453	2.9
220.83269	1.6
221.11504	2.2
235.16902	3.8
261.14603	55.4
276.16980	2.3
277.14615	2.9
277.17719	95.1
293.17203	100.0
327.63043	1.6
442.11899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
53.03939	5.8
53.28944	1.4
55.01872	3.6
55.05505	40.5
57.03428	16.5
57.07063	2.4
61.32397	1.7
65.03915	2.8
66.11456	1.3
67.05493	82.1
69.03410	6.7
69.07057	18.7
71.04988	6.5
79.05476	90.3
81.03404	58.1
81.07040	74.3
83.04967	12.8
83.08610	28.5
85.02889	31.4
85.06509	2.1
89.06019	2.7
91.05461	55.4
93.07027	77.8
95.04950	35.7
95.08582	42.2
97.02892	2.2
97.06501	2.8
97.10149	7.9
105.07008	47.3
105.07666	2.7
107.04936	6.2
107.08581	31.3
109.06477	8.3
109.10145	14.5
111.08074	7.2
113.05997	3.1
117.07017	9.3
119.08566	35.0
121.06488	3.0
121.10130	27.0
123.08086	3.0
123.11735	3.0
125.09634	2.4
129.06972	12.3
129.89140	1.6
131.08548	24.0
133.06448	2.6
133.10106	18.9
135.11665	11.5
142.07767	2.3
143.08569	2.9
145.10085	12.2
147.08043	2.9
147.11661	18.1
149.09625	6.9
149.13245	3.0
157.10094	11.6
159.01001	1.7
159.11638	3.5
161.13234	3.4
171.11740	2.9
173.13228	7.0
175.11107	10.3
177.08902	3.7
183.11668	2.0
185.13211	2.0
193.12308	17.5
199.14700	1.9
211.13248	25.2
215.14023	2.3
233.11394	2.1
233.15103	1.8
245.15050	2.0
249.08360	1.9
259.16632	2.7
261.14621	2.4
267.15897	8.1
275.16306	11.6
277.14136	2.0
277.17648	2.7
309.16382	2.7
335.25751	7.0
346.11224	1.7
435.32568	1.8
527.37555	12.2
545.38660	100.0
546.39288	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	546.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69476	1.0
53.03929	2.0
54.82230	1.1
55.01867	14.0
55.05500	5.0
57.03430	27.8
59.04983	2.9
61.02919	18.7
67.05481	8.1
69.03072	1.5
69.03419	42.6
69.07045	2.9
71.01326	6.2
71.04961	2.4
73.02898	100.0
76.35960	1.0
79.05472	6.8
81.03394	12.9
81.07038	27.7
83.04958	1.9
83.08621	1.1
85.02890	82.6
85.06516	1.3
87.04467	8.4
87.20606	1.1
91.03931	1.3
91.05457	9.1
93.07019	13.6
95.04940	7.8
95.08585	15.0
97.02868	66.5
98.06012	1.3
98.99601	1.0
99.04416	5.0
103.03918	2.4
105.07011	18.3
107.04929	1.3
107.08564	9.8
109.02856	6.4
109.06478	1.9
109.10150	2.2
115.03905	28.4
117.07030	1.8
119.08551	19.4
121.06416	1.5
121.10081	2.3
123.11658	5.3
127.03884	18.1
131.08505	7.0
133.04932	22.2
133.10103	11.2
135.08041	2.3
135.11676	6.6
138.09943	1.3
144.83929	1.4
145.04959	16.1
145.10056	2.7
147.07990	1.8
147.11691	7.3
149.09644	1.4
157.10106	5.3
159.07979	1.5
159.11678	9.3
160.12471	1.3
161.09569	2.2
161.13254	6.6
163.05971	6.5
175.11119	1.3
183.11491	1.6
189.16339	22.8
211.14865	1.4
217.15857	6.1
223.05962	2.8
235.16847	11.1
241.07025	1.8
259.08099	4.8
275.16095	1.7
276.10648	1.3
277.17685	14.9
278.17993	4.9
291.15686	8.5
292.15842	2.5
301.17615	1.9
313.17828	2.1
331.18964	2.1
349.19928	2.1
349.23749	2.2
399.63495	1.3
443.94553	1.5
545.34009	1.9
546.33990	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
54.81395	4.4
55.01862	5.5
55.05510	49.5
57.03418	19.7
57.07088	3.3
59.05001	3.5
67.05494	94.7
69.03403	7.1
69.07056	22.5
79.05480	91.8
80.02364	3.8
81.03405	71.8
81.07037	91.7
81.95558	3.6
83.04979	14.2
83.08605	28.9
85.02893	30.5
86.09682	4.5
87.30250	3.1
89.61401	3.3
91.05458	79.4
92.20076	3.5
93.07017	85.0
95.04944	38.1
95.08580	63.2
97.06495	6.1
97.10133	5.5
105.07018	55.7
107.04932	7.9
107.08574	38.4
109.06493	6.6
109.10133	24.3
111.08084	14.1
114.91077	3.2
115.87115	3.7
117.06995	8.0
119.08564	41.9
121.10122	34.6
123.08083	3.9
123.11701	4.7
129.06985	21.4
131.08537	27.4
133.10103	27.7
135.11612	6.2
145.10132	25.7
147.11656	28.0
149.09538	3.9
157.10114	17.9
159.11667	6.9
161.13171	4.5
169.09958	3.4
175.11143	7.5
177.08859	23.3
180.52094	3.6
184.07178	6.6
187.11070	4.1
193.08354	23.3
193.12164	29.2
211.13173	33.5
215.14006	4.6
219.13811	4.5
233.11420	14.1
233.15123	4.5
245.15187	14.5
257.35599	3.7
260.17584	4.0
261.14520	34.2
261.22034	4.0
267.15875	17.7
275.16147	38.4
276.16870	5.8
277.14191	15.1
277.17581	7.0
291.15714	5.8
293.17239	25.0
309.16702	7.6
321.60809	3.8
335.25833	7.4
377.22858	6.1
435.32431	4.4
453.33673	7.9
478.66156	4.5
527.37555	14.3
545.38007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
54.81933	2.9
55.01865	3.0
55.05504	44.7
57.03430	18.3
65.03928	3.9
66.88731	3.3
67.05499	90.7
69.03416	4.5
69.06729	3.3
69.07059	29.8
71.04984	6.3
79.05475	100.0
81.03411	63.4
81.07038	95.4
81.07478	5.5
83.04974	17.7
83.08612	25.8
84.16248	3.1
85.02897	27.5
91.05463	74.6
91.05999	4.1
93.07024	84.5
93.80128	3.0
95.04946	40.9
95.08596	51.0
95.96259	2.7
97.06504	12.1
97.10182	5.7
105.07026	63.3
107.04913	3.4
107.08587	39.9
109.10154	17.8
111.08058	4.5
117.07014	14.1
118.55972	3.3
119.08563	32.3
121.10137	25.3
123.08016	5.7
123.11670	3.4
129.06990	14.7
131.08527	25.9
133.10112	18.2
135.11676	13.9
140.27986	3.0
143.08632	3.9
145.10126	12.7
147.11678	24.5
149.09503	4.7
157.10133	12.5
159.11655	7.2
161.13373	5.6
173.13263	3.5
175.11183	5.4
177.08858	20.7
184.05676	3.1
193.08434	5.0
193.12222	27.2
211.13199	26.8
233.11435	4.0
245.15129	5.0
259.16687	7.4
261.14572	13.6
261.22104	4.2
275.16077	36.7
277.14026	6.5
291.15659	4.7
293.17212	13.9
309.16635	5.3
335.25653	5.8
459.93573	3.3
483.63147	3.2
499.32489	4.0
527.37555	12.1
545.37860	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	545.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.2
55.05504	1.0
56.74513	0.4
56.96541	0.8
57.03413	2.7
59.04960	0.6
61.02893	0.7
64.13351	0.6
67.05481	2.4
69.03403	3.1
69.07040	3.0
71.01330	0.5
71.04983	0.7
71.62267	0.5
73.02892	1.9
76.01157	0.5
79.05462	2.9
81.03384	0.7
81.07044	8.1
81.75961	0.5
83.04950	0.6
83.08607	0.6
85.02882	5.7
85.06531	0.7
89.80767	0.5
91.05460	7.1
92.05812	0.8
93.07017	4.7
93.27396	0.5
95.04943	2.0
95.08579	5.2
97.02869	2.8
97.06486	0.6
98.97554	2.0
99.04459	0.5
105.06992	3.9
107.04931	3.0
107.08556	5.0
109.06513	1.0
109.10140	4.0
110.42313	0.5
115.55982	0.6
116.98596	0.9
119.08554	3.4
121.06442	0.9
121.10155	2.3
123.08057	0.5
123.11654	0.8
125.05898	0.6
127.03894	0.8
131.08585	2.0
133.04910	0.6
133.10130	1.0
134.99702	0.8
135.11647	0.6
137.05945	1.2
137.09569	0.8
137.13251	0.6
139.03816	0.5
141.06953	0.5
142.07762	3.1
143.08560	2.2
143.09630	0.5
145.10121	1.2
147.08055	0.5
147.11688	0.7
149.09616	0.6
151.07478	0.9
153.05560	1.0
157.10101	18.1
158.10419	4.9
158.99615	1.0
159.11681	2.9
161.02931	0.5
163.11171	0.7
165.09048	0.9
167.07051	1.1
169.08649	0.5
169.10132	2.1
170.10558	0.5
171.11638	1.0
177.00681	1.0
177.09114	0.7
185.04221	0.9
187.14735	0.6
197.13249	4.4
198.13538	1.0
199.14827	3.6
200.15125	0.7
203.04008	0.6
215.14368	3.6
233.15256	0.9
251.06865	1.9
277.17737	9.3
282.15717	1.7
291.15613	12.1
293.17191	0.5
317.08417	12.3
327.77191	0.6
491.30063	0.9
544.31873	0.8
545.16180	100.0
545.32941	9.5
546.16217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
54.81395	4.4
55.01862	5.5
55.05510	49.5
57.03418	19.7
57.07088	3.3
59.05001	3.5
67.05494	94.7
69.03403	7.1
69.07056	22.5
79.05480	91.8
80.02364	3.8
81.03405	71.8
81.07037	91.7
81.95558	3.6
83.04979	14.2
83.08605	28.9
85.02893	30.5
86.09682	4.5
87.30250	3.1
89.61401	3.3
91.05458	79.4
92.20076	3.5
93.07017	85.0
95.04944	38.1
95.08580	63.2
97.06495	6.1
97.10133	5.5
105.07018	55.7
107.04932	7.9
107.08574	38.4
109.06493	6.6
109.10133	24.3
111.08084	14.1
114.91077	3.2
115.87115	3.7
117.06995	8.0
119.08564	41.9
121.10122	34.6
123.08083	3.9
123.11701	4.7
129.06985	21.4
131.08537	27.4
133.10103	27.7
135.11612	6.2
145.10132	25.7
147.11656	28.0
149.09538	3.9
157.10114	17.9
159.11667	6.9
161.13171	4.5
169.09958	3.4
175.11143	7.5
177.08859	23.3
180.52094	3.6
184.07178	6.6
187.11070	4.1
193.08354	23.3
193.12164	29.2
211.13173	33.5
215.14006	4.6
219.13811	4.5
233.11420	14.1
233.15123	4.5
245.15187	14.5
257.35599	3.7
260.17584	4.0
261.14520	34.2
261.22034	4.0
267.15875	17.7
275.16147	38.4
276.16870	5.8
277.14191	15.1
277.17581	7.0
291.15714	5.8
293.17239	25.0
309.16702	7.6
321.60809	3.8
335.25833	7.4
377.22858	6.1
435.32431	4.4
453.33673	7.9
478.66156	4.5
527.37555	14.3
545.38007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60911	0.5
54.53519	0.6
64.00317	0.7
68.03848	0.6
68.53013	0.7
70.09756	0.6
74.09698	100.0
84.35809	0.6
92.09378	1.3
97.54110	0.6
100.34846	0.6
105.06965	0.8
115.59596	0.7
116.71314	0.7
119.08540	0.9
145.10130	1.2
158.24297	0.7
161.09598	0.9
201.16405	1.0
270.67783	0.8
277.62631	0.8
284.36688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81367	1.2
55.05485	1.4
57.33354	0.8
59.79653	0.9
65.03917	6.5
67.05482	2.1
69.03413	1.7
73.02900	1.7
77.82182	0.9
79.83693	1.2
83.04958	6.7
85.02882	1.8
91.98550	1.2
93.03384	14.7
95.04948	10.3
97.02869	1.1
105.00342	1.2
106.77216	1.1
107.03460	1.8
110.24480	1.1
111.04406	4.8
121.02837	55.3
125.04468	4.3
127.03864	1.2
139.03876	2.1
141.03873	1.4
145.03432	1.8
147.04936	1.3
151.02382	1.4
153.03926	6.7
157.03409	2.4
157.97440	1.2
158.99600	1.2
159.04977	2.2
161.00890	1.4
169.03429	24.2
171.01286	1.5
171.04993	24.9
172.95357	1.3
173.02937	1.4
179.01819	7.6
183.19812	1.0
187.04469	11.9
189.02306	1.4
189.06090	1.3
191.03781	1.3
195.01385	1.9
197.02921	79.9
215.03967	63.4
219.01857	1.3
227.05428	1.3
233.04951	9.2
239.03888	1.4
245.06548	6.2
247.04457	1.5
249.06027	1.8
261.06015	2.2
263.07632	5.4
265.05667	1.4
271.04471	6.3
272.06638	2.0
273.06027	5.4
275.06406	1.4
289.05496	8.5
291.07068	6.4
299.03900	17.6
307.06537	5.9
309.04468	4.5
309.08121	4.6
317.04916	13.6
325.07672	1.9
327.05463	1.7
335.05991	14.4
353.07266	9.6
371.07983	16.5
372.93161	1.3
389.09207	100.0
400.23785	1.1
412.10739	1.8
545.12909	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	543.329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81858	0.3
55.05484	0.3
56.48227	0.2
56.96550	0.4
58.22696	0.2
61.35356	0.2
62.55642	0.2
67.05477	0.4
69.07042	0.4
76.99197	0.3
79.05453	0.4
81.07029	1.6
83.04993	0.4
85.02884	0.5
91.03819	0.3
91.04686	0.3
91.05426	0.4
93.07016	1.4
95.08576	1.2
96.08954	0.4
105.07011	1.6
107.08571	0.5
107.42734	0.3
119.08524	0.7
121.06483	0.3
123.04134	2.2
126.62862	0.3
132.08978	0.3
137.05875	2.3
142.68285	0.4
167.31421	0.3
261.01004	0.4
273.14560	3.1
275.16116	100.0
276.16382	0.5
291.15613	4.6
293.17160	0.4
321.01251	0.4
334.02817	0.3
365.17120	0.3
401.36041	0.3
543.32288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60255	0.7
55.05492	1.9
56.96546	1.0
57.03418	0.7
59.04973	0.9
63.03827	0.7
67.05495	3.6
67.92998	0.8
69.07050	1.7
71.04961	1.1
77.77045	0.7
79.05485	3.8
79.82006	0.9
81.07044	5.2
85.06566	1.2
91.05473	4.5
93.07021	6.9
95.04922	3.2
95.08588	4.6
97.06528	1.3
105.07016	5.3
107.08569	5.1
108.93784	0.9
109.06499	1.9
109.10152	1.9
117.06988	1.4
119.08581	4.0
121.10159	1.8
122.90707	0.9
131.08563	1.1
133.06241	1.2
133.10049	2.9
135.08005	1.6
135.11700	1.5
145.10129	3.9
177.08842	1.6
177.12869	1.0
189.08917	1.8
203.10416	21.9
208.02736	1.0
215.13855	1.2
239.09660	0.9
247.13010	100.0
263.12573	1.7
275.16150	71.8
285.58734	1.0
289.14340	1.3
291.15665	20.4
357.42728	0.8
485.95618	1.1
522.72882	0.9
543.33057	17.6
553.04346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
56.55888	0.3
69.03413	0.6
79.05479	0.5
80.30343	0.3
83.52938	0.3
83.57950	0.3
85.02885	2.5
91.05455	3.1
93.06998	0.3
95.04942	0.6
97.02901	0.4
102.04675	0.3
103.05444	26.6
105.07000	0.7
106.86029	0.3
107.04981	0.9
118.15535	0.4
119.04926	2.8
119.08543	0.7
121.06467	2.1
122.03643	0.7
123.04399	1.8
124.05164	0.6
129.06966	1.6
130.04121	1.1
130.65028	0.3
131.04900	100.0
133.06439	0.6
135.04350	0.3
137.05948	21.8
147.04384	31.9
147.08022	5.3
147.91808	0.3
149.05952	4.4
150.06734	0.7
151.07526	3.9
157.06454	0.5
161.05933	2.5
162.06735	3.3
163.07504	35.3
165.06949	0.4
175.07510	15.1
177.05408	0.4
179.07018	1.3
183.88957	0.3
193.06592	0.5
193.08557	11.0
195.08032	1.5
205.08534	0.5
210.06801	0.5
213.08969	0.5
221.05948	0.7
223.07477	0.6
239.06975	0.4
240.75421	0.4
241.08446	0.5
251.07120	0.4
253.08551	0.7
270.08676	0.4
271.09497	2.4
273.11188	0.5
291.72940	0.3
297.10989	0.4
299.12836	2.7
311.12619	0.5
317.13803	9.4
468.33722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03432	1.0
59.98602	0.5
61.02913	0.9
67.05491	1.1
69.03414	6.3
71.54253	0.5
79.05481	1.4
81.03392	3.2
81.07022	1.4
85.02895	7.0
91.05460	8.4
92.92194	0.6
93.07030	1.3
94.04160	0.7
95.04945	2.4
97.02865	3.4
99.04438	0.7
99.21877	0.6
99.30390	0.7
102.04626	1.1
103.05444	26.5
105.07002	6.2
107.04938	3.1
109.02843	1.2
109.10165	2.9
111.46125	0.7
117.06966	1.1
119.04927	6.9
119.08510	1.3
121.06482	9.1
122.03644	3.5
123.04404	10.9
124.05186	0.7
127.03909	3.1
129.06973	1.6
130.04103	1.4
131.04898	100.0
133.02835	5.9
133.06464	4.8
135.04381	2.6
135.07997	0.7
137.05954	53.5
137.09590	4.8
138.09923	2.9
141.06987	0.7
145.06464	0.7
146.03575	0.8
147.04384	53.3
147.08008	10.5
149.05946	17.3
150.06725	5.1
151.07495	14.3
153.05417	1.1
157.06570	1.2
161.05949	9.2
162.06721	16.6
163.07506	41.9
165.05466	1.3
165.09099	3.6
166.09540	0.8
167.06984	3.0
175.07501	24.4
177.05437	3.8
177.09100	1.3
179.07037	6.9
187.07468	1.3
189.09081	0.7
191.06999	1.1
193.06766	1.2
193.08540	18.9
195.08063	2.5
205.08528	7.7
210.06645	0.8
211.07544	0.7
221.06085	0.8
223.07541	0.9
225.09171	0.8
229.08470	0.7
235.07373	0.8
239.07074	0.8
241.08575	0.8
251.06923	1.1
253.08820	0.9
253.12207	0.9
267.10065	0.8
270.08817	0.7
271.09546	4.1
283.09625	1.4
293.27182	0.7
297.11249	3.5
299.12756	7.5
311.12878	0.9
317.13724	13.0
329.13785	5.5
559.71790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56281	0.8
52.44572	0.8
55.05482	1.1
56.96560	51.2
59.25676	0.7
67.05490	3.0
69.03369	1.2
69.07044	1.3
69.59911	0.8
79.05451	2.1
81.07047	7.8
81.74435	0.7
82.07355	1.2
82.25764	0.7
90.70795	1.0
91.05434	4.8
93.07008	7.1
95.04891	1.5
95.08573	4.1
97.06492	0.9
98.97539	1.8
102.01351	0.8
103.00677	1.2
105.07030	8.8
106.07361	0.8
107.08601	6.1
109.10115	2.1
115.00684	12.0
116.98568	2.0
117.06982	1.9
119.08534	5.4
121.01694	1.2
121.10100	2.0
121.24036	0.8
131.04823	1.1
131.08516	4.5
132.08821	1.0
133.01715	11.7
133.10071	4.2
134.99649	1.3
135.03279	0.9
135.07961	0.8
135.11682	1.0
136.12000	0.9
145.10045	3.3
146.08595	0.9
147.11603	1.2
151.02747	1.7
159.11678	1.6
161.04823	1.0
163.11060	1.2
177.08812	1.6
217.11969	1.0
223.09949	3.4
225.07657	1.4
233.04765	0.9
233.11339	2.1
237.07899	1.7
237.11443	1.0
241.07265	1.0
247.09991	1.4
251.05771	1.0
251.09506	4.1
261.14349	1.2
263.09399	4.5
263.13177	1.4
265.07248	1.1
265.10986	12.9
265.14563	8.3
266.08047	1.1
267.09033	1.7
267.12506	1.8
269.10431	6.0
273.11533	1.4
273.14395	1.4
275.15958	2.0
279.12582	1.3
281.10464	2.1
281.14307	1.0
283.12039	12.8
283.15674	15.8
284.09189	1.0
285.09955	1.3
291.12598	7.7
291.15445	2.7
309.13721	67.1
310.13699	1.5
327.14734	100.0
328.14996	1.3
345.15665	1.8
350.16043	1.2
381.79129	1.0
384.41092	0.9
393.07355	0.9
507.27609	6.7
525.28687	24.1
543.29755	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55898	0.6
55.05492	3.0
56.96550	16.2
65.03923	0.6
67.05489	2.6
69.03423	0.6
69.07050	1.4
71.04974	1.3
79.05470	3.0
81.07046	6.9
83.04958	0.8
84.96020	1.3
91.05463	3.8
93.07019	6.8
94.07325	0.7
95.04916	1.5
95.08576	3.4
97.06504	0.7
98.97549	16.8
105.06996	5.4
106.07378	0.8
107.08545	5.5
108.08936	0.8
109.06524	0.9
109.10139	2.8
111.08043	0.7
116.98588	14.9
116.99351	0.9
117.07021	1.2
119.08562	4.8
121.06500	0.9
121.10101	1.4
123.11688	0.8
131.08530	3.1
133.06302	0.6
133.10117	2.9
134.99638	10.0
135.11678	0.8
135.97260	0.6
136.02956	0.6
137.09627	0.7
140.00156	0.8
141.06960	0.6
143.08530	0.6
145.10086	1.0
147.11684	0.7
149.09650	0.9
153.00745	0.7
155.57857	0.6
157.10123	0.8
160.11923	0.6
161.13245	1.0
173.93018	0.6
177.08861	0.9
177.16434	0.6
187.14749	0.8
191.07420	0.8
203.10378	0.7
204.43690	0.8
205.15851	0.7
209.08409	9.5
215.10927	1.0
223.10075	3.0
225.07982	2.4
227.09482	1.0
231.10501	0.9
233.08440	2.6
233.12029	24.8
235.09987	3.1
237.07933	1.0
241.07451	2.2
245.08463	0.7
247.09959	3.5
249.11617	5.0
251.13133	49.9
252.13515	0.7
255.08957	4.6
261.11447	1.0
261.14331	1.1
265.07526	1.1
265.11063	4.4
267.12582	6.9
269.14178	4.9
273.10031	0.9
275.16135	0.8
279.09018	2.6
279.12619	3.9
283.08502	0.6
283.12158	3.4
285.13638	3.4
289.14081	2.3
291.15829	2.1
296.09348	0.7
297.10361	2.5
297.13657	43.7
305.13614	0.7
307.15161	0.7
315.14709	46.0
320.15164	0.7
321.13620	21.6
323.17114	0.8
333.15698	0.8
339.14713	100.0
339.83624	0.7
357.15735	9.5
362.16238	2.6
393.78394	0.7
483.27652	4.2
501.28958	6.7
506.01544	0.6
524.46838	0.6
525.31488	1.0
541.86835	0.7
543.32654	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31470	0.3
56.26683	0.3
66.69408	0.4
73.83856	0.3
76.56042	0.4
135.27190	0.4
182.54202	0.4
188.41663	0.4
244.62511	0.4
270.05139	0.4
273.92996	0.4
325.38229	0.4
338.45227	0.5
369.35968	0.5
381.07803	10.0
392.44656	0.4
543.13116	100.0
544.13806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55898	0.6
55.05492	3.0
56.96550	16.2
65.03923	0.6
67.05489	2.6
69.03423	0.6
69.07050	1.4
71.04974	1.3
79.05470	3.0
81.07046	6.9
83.04958	0.8
84.96020	1.3
91.05463	3.8
93.07019	6.8
94.07325	0.7
95.04916	1.5
95.08576	3.4
97.06504	0.7
98.97549	16.8
105.06996	5.4
106.07378	0.8
107.08545	5.5
108.08936	0.8
109.06524	0.9
109.10139	2.8
111.08043	0.7
116.98588	14.9
116.99351	0.9
117.07021	1.2
119.08562	4.8
121.06500	0.9
121.10101	1.4
123.11688	0.8
131.08530	3.1
133.06302	0.6
133.10117	2.9
134.99638	10.0
135.11678	0.8
135.97260	0.6
136.02956	0.6
137.09627	0.7
140.00156	0.8
141.06960	0.6
143.08530	0.6
145.10086	1.0
147.11684	0.7
149.09650	0.9
153.00745	0.7
155.57857	0.6
157.10123	0.8
160.11923	0.6
161.13245	1.0
173.93018	0.6
177.08861	0.9
177.16434	0.6
187.14749	0.8
191.07420	0.8
203.10378	0.7
204.43690	0.8
205.15851	0.7
209.08409	9.5
215.10927	1.0
223.10075	3.0
225.07982	2.4
227.09482	1.0
231.10501	0.9
233.08440	2.6
233.12029	24.8
235.09987	3.1
237.07933	1.0
241.07451	2.2
245.08463	0.7
247.09959	3.5
249.11617	5.0
251.13133	49.9
252.13515	0.7
255.08957	4.6
261.11447	1.0
261.14331	1.1
265.07526	1.1
265.11063	4.4
267.12582	6.9
269.14178	4.9
273.10031	0.9
275.16135	0.8
279.09018	2.6
279.12619	3.9
283.08502	0.6
283.12158	3.4
285.13638	3.4
289.14081	2.3
291.15829	2.1
296.09348	0.7
297.10361	2.5
297.13657	43.7
305.13614	0.7
307.15161	0.7
315.14709	46.0
320.15164	0.7
321.13620	21.6
323.17114	0.8
333.15698	0.8
339.14713	100.0
339.83624	0.7
357.15735	9.5
362.16238	2.6
393.78394	0.7
483.27652	4.2
501.28958	6.7
506.01544	0.6
524.46838	0.6
525.31488	1.0
541.86835	0.7
543.32654	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	542.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01869	0.9
55.05502	23.7
57.03426	7.9
57.07061	5.5
61.02923	0.7
64.27856	0.6
65.03923	0.7
67.05490	28.5
69.03419	5.2
69.07053	41.4
71.04972	3.8
71.08603	1.4
73.02900	3.5
73.06518	0.8
75.04459	0.7
77.28686	0.5
79.05466	11.2
81.07037	45.6
83.04961	2.6
83.08598	25.8
83.09093	1.0
85.02879	9.2
85.06502	4.0
85.76891	0.5
86.03202	0.7
86.39905	0.5
91.05463	20.0
92.05808	2.7
93.07024	15.9
95.04940	1.2
95.08585	43.9
97.02870	3.8
97.06506	5.5
97.10145	18.8
99.08060	3.2
105.07023	8.3
107.04929	1.3
107.08571	14.2
109.02852	0.6
109.06493	1.2
109.10134	21.5
109.10851	1.0
111.08086	2.3
111.11704	7.2
113.09637	1.2
115.07571	0.5
116.98598	0.6
117.06983	0.7
119.08557	11.2
121.10110	19.7
123.08060	2.7
123.11677	8.1
125.09589	2.3
125.13258	0.9
127.03875	0.8
133.10104	13.0
135.11681	15.6
137.09579	2.7
137.13237	4.1
139.11150	3.9
145.04970	0.6
147.11652	9.0
149.13226	3.4
151.11176	4.0
151.14832	2.1
153.12683	2.6
161.13213	7.9
165.12682	2.1
175.14789	3.1
179.14261	1.3
193.19539	0.8
196.08572	0.7
217.19481	12.3
235.20528	9.2
253.21605	8.2
281.15082	2.3
309.24301	4.7
309.27237	0.6
327.25223	100.0
345.26294	26.3
363.27252	2.1
496.27271	0.7
507.31372	1.0
542.30396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.79313	0.4
54.48291	0.5
54.82011	0.5
55.01864	1.6
55.05505	25.9
57.03433	8.2
57.07066	5.9
61.02911	0.6
67.05492	29.5
69.03418	4.1
69.07055	43.1
70.07401	0.6
71.04978	3.6
73.02904	4.4
74.46315	0.6
79.05474	10.9
81.03374	1.1
81.07040	46.0
82.07394	0.7
83.04955	3.3
83.08606	25.8
85.02888	9.4
85.06533	3.9
91.05466	21.0
92.05808	4.0
93.07025	19.9
95.04955	1.6
95.08585	43.0
96.08932	0.6
97.02879	4.6
97.06512	7.7
97.10155	19.5
98.97555	0.8
99.00835	0.6
99.04395	0.6
99.08078	3.0
99.90478	0.6
101.05985	0.6
105.07011	11.0
106.07376	0.6
107.04947	6.0
107.08574	16.4
108.05280	2.9
109.06528	2.8
109.10140	22.3
111.08073	3.9
111.11681	6.6
112.51894	0.6
113.09656	0.9
117.94365	0.7
119.08564	12.0
121.10124	18.4
123.08054	3.1
123.11673	10.3
125.09617	3.7
125.13235	0.9
127.03849	1.0
131.08585	1.0
133.10114	12.6
135.11673	19.0
137.05969	1.3
137.09601	3.1
137.13290	4.6
139.11198	4.2
142.45213	0.6
145.04985	0.8
145.10126	1.3
147.04330	0.6
147.11639	8.0
149.13293	5.0
151.11163	2.8
151.14821	2.9
153.12755	2.6
161.13228	10.1
163.14809	0.8
165.12726	2.4
175.14827	3.6
177.16391	0.7
179.14333	3.2
179.18050	0.6
182.92079	0.6
193.19490	1.5
217.19479	12.1
235.20522	8.2
253.21561	7.7
309.24176	2.8
309.27530	0.8
327.25232	100.0
345.26266	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	542.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
52.36341	0.1
63.49417	0.1
69.03426	0.1
79.05473	0.8
85.02886	0.6
91.05460	0.7
93.06984	0.9
97.02897	0.1
103.05442	5.1
107.04928	2.4
119.04916	1.5
120.08075	100.0
121.06472	0.2
121.08424	0.2
127.03875	0.2
131.04890	2.8
135.04362	0.8
137.05934	0.8
138.08827	0.1
140.74727	0.1
141.07085	0.1
147.04385	2.0
149.05949	2.3
151.07549	0.2
164.96831	0.1
166.08594	27.0
167.06978	0.6
167.08908	0.1
179.06984	1.3
230.80368	0.1
237.81917	0.1
251.88016	0.1
332.76837	0.1
493.48911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.54446	0.3
55.01857	2.6
55.05506	1.8
57.03424	2.0
57.11832	0.2
58.90362	0.2
58.93204	0.3
59.84872	0.2
60.56008	0.2
61.02916	2.2
65.03918	0.3
67.05489	13.2
69.03413	5.5
69.07058	0.6
71.04970	1.7
73.02901	0.7
79.05479	1.4
79.71450	0.3
81.03391	2.4
81.06591	0.6
81.07037	9.8
83.04972	0.3
85.02888	19.6
85.06522	1.1
87.04449	0.6
91.03927	0.6
91.05452	1.2
93.07005	3.0
93.07468	0.3
95.04935	3.0
95.08582	8.3
97.02874	6.7
97.06519	0.6
97.86990	0.3
99.04449	3.3
99.08063	0.7
105.97433	0.3
107.08589	1.3
108.89325	0.3
109.02865	2.2
109.06499	1.4
109.10138	66.9
110.10536	0.3
111.04389	1.0
113.05954	0.3
115.03913	0.4
119.08538	4.6
119.31133	0.3
120.48436	0.3
121.10085	2.5
123.08053	0.3
125.05970	6.8
127.03898	4.1
137.09592	100.0
138.09979	0.5
145.04945	4.4
147.07994	1.6
155.10640	29.6
163.05968	1.1
165.09074	43.5
177.09113	0.4
180.08698	0.3
183.10115	15.5
201.11183	69.8
219.12331	1.8
247.03984	0.3
263.12668	0.3
327.14307	1.1
345.15317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66122	1.5
51.55215	1.2
53.03931	7.8
55.01859	7.9
55.05507	22.3
57.03417	1.7
57.07060	8.9
58.93113	1.6
59.04988	3.0
67.05500	29.1
69.03392	6.1
69.07048	24.7
71.04976	19.8
76.45774	1.8
79.05474	38.4
81.07034	66.9
83.04955	13.0
83.08588	7.3
85.06544	14.2
91.05458	53.8
93.07019	100.0
95.04955	20.4
95.05484	2.3
95.08581	49.8
97.06509	9.6
97.10180	2.6
99.04437	3.7
101.05951	1.9
105.04542	2.6
105.07009	74.8
107.08574	66.0
109.06475	14.2
109.10134	51.1
109.33192	1.8
111.07407	2.0
111.08075	17.2
117.06968	14.1
119.08558	67.5
121.06489	3.2
121.10116	40.2
123.08046	8.8
123.11691	8.4
125.09608	14.4
127.11157	14.6
129.07004	3.1
130.07747	2.3
131.08525	18.8
133.10103	33.2
135.08012	6.8
135.11668	22.4
137.09581	8.7
143.08502	6.6
144.09322	2.0
145.10095	43.4
147.11670	21.8
149.09639	3.9
149.13202	13.9
151.11107	3.9
157.10159	3.7
159.11662	44.3
161.13216	55.9
163.11165	9.0
173.13240	11.5
175.14798	16.2
177.12706	3.2
177.16336	7.4
179.14223	2.6
189.16371	4.0
191.17865	13.7
193.15884	2.7
201.16322	31.9
203.17903	4.3
217.15860	4.2
219.17412	45.5
220.17950	2.1
235.16988	7.9
237.18373	28.7
262.52884	1.9
333.54111	2.0
448.91895	2.2
449.66544	1.9
507.12891	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81393	1.8
57.07058	10.9
57.12288	1.5
67.05492	2.6
69.07056	3.6
70.06586	4.1
71.08593	3.2
76.81464	1.7
78.63239	1.7
81.07048	10.1
82.85255	1.8
83.08605	2.0
85.10159	1.7
88.07593	8.4
89.06019	15.0
91.05459	3.6
93.07037	10.6
95.08588	2.7
97.52331	2.2
102.09151	4.3
105.07023	10.1
107.08588	7.7
119.08581	2.7
121.10107	8.5
133.10158	1.9
135.11629	2.4
143.97591	2.0
149.13237	2.3
204.18346	2.2
221.19044	4.4
240.94989	1.9
256.26318	13.0
257.26694	2.1
259.16827	2.4
279.34567	1.9
283.26135	2.9
284.29425	2.4
311.29553	9.7
312.29956	4.0
393.27747	14.5
540.53448	24.8
541.32788	100.0
541.53619	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	541.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05509	23.4
57.03421	5.0
59.04988	11.2
60.65854	2.2
67.05153	2.6
67.05497	63.3
69.03426	4.2
69.07060	46.7
71.04977	4.9
73.81169	2.3
79.05469	43.5
79.69003	2.3
81.07039	97.3
81.07478	5.0
83.04961	43.3
83.08615	5.9
85.02892	3.5
85.06558	5.0
86.97380	2.4
91.05466	64.6
91.06003	3.6
93.07020	92.3
95.04955	17.7
95.08591	56.1
97.06506	4.3
101.32493	2.7
103.05457	3.4
105.07014	100.0
107.04938	5.4
107.08571	60.9
109.06513	14.8
109.10140	60.1
111.08064	16.7
117.06998	35.7
117.94892	2.6
119.08563	54.8
121.06518	11.9
121.10120	32.5
123.08073	6.1
123.11691	5.5
125.09625	4.5
129.06970	14.0
130.07774	4.5
131.08540	48.7
133.10112	46.7
135.08002	5.5
135.11688	18.5
135.78487	2.4
137.09595	15.5
143.08572	4.2
144.09315	3.8
145.10095	77.7
147.11707	13.9
148.12103	2.6
149.09602	20.0
149.13269	11.9
151.11157	18.8
157.10124	4.4
159.11676	53.6
161.13239	14.5
163.11168	12.5
165.09090	2.7
173.13251	13.8
175.14781	3.3
185.19933	2.3
201.16377	42.5
219.17398	51.2
428.17545	2.5
443.91330	2.7
475.80774	3.0
541.28961	2.6
548.07678	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	540.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90430	0.3
53.03931	0.4
55.01858	1.4
55.05502	1.7
56.17099	0.3
57.03425	0.7
57.07055	0.3
61.02897	1.4
62.89658	0.3
64.37488	0.3
67.05491	1.5
69.03410	3.2
69.07056	1.4
71.04972	0.7
73.77088	0.3
79.05468	3.6
81.03412	1.6
81.07036	3.9
83.04961	1.6
83.08594	0.4
85.02892	9.9
85.06552	0.4
91.03956	0.5
91.05453	4.2
93.07022	5.5
94.04148	1.4
95.04957	2.9
95.08594	2.0
97.02882	2.5
97.06490	0.5
99.04425	0.6
103.05413	0.7
105.03394	0.3
105.04499	0.3
105.07010	8.8
107.04936	12.4
107.05618	0.5
107.08599	3.2
109.02853	1.2
109.06493	3.1
109.10170	0.6
113.84696	0.3
115.05398	0.4
117.07019	2.7
119.04912	0.7
119.08556	4.5
121.06472	3.6
121.10108	0.4
122.03629	3.6
123.04414	1.7
124.05177	0.6
125.05968	0.4
127.03911	1.7
129.07025	0.5
130.07782	0.7
131.04900	1.9
131.08543	1.7
133.06467	23.1
133.10133	1.9
135.08049	1.4
137.05959	100.0
140.04691	2.3
142.07768	2.1
143.08554	0.7
144.05742	0.4
145.04935	1.6
145.06496	3.3
145.10104	10.3
146.07281	0.6
147.08043	2.5
147.11681	5.5
148.05075	0.3
149.06038	0.4
149.09625	0.5
151.07541	4.0
151.11128	0.3
152.04660	0.5
153.05420	0.5
155.07098	0.5
155.08611	0.4
157.10052	3.1
158.07253	1.4
159.11694	1.5
160.08801	0.6
161.13219	0.3
163.07544	1.6
163.11133	0.4
165.09087	1.8
167.06995	19.9
173.09576	9.2
175.11154	26.2
177.12717	1.8
180.08618	1.2
205.10390	0.6
205.12212	13.9
207.13771	12.0
237.14790	4.9
265.12488	0.4
297.14810	0.7
307.05017	0.3
328.97937	0.4
335.09457	0.4
361.20020	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03416	1.2
61.02901	1.3
64.32903	0.2
64.68526	0.2
66.57899	0.2
69.03411	2.4
72.78034	0.2
73.02898	0.4
73.42561	0.3
75.37253	0.2
79.05524	0.3
81.03383	0.5
81.07043	0.4
85.02425	0.5
85.02893	8.0
91.05457	1.7
93.07027	0.4
95.08586	0.3
97.02878	2.8
103.05404	0.3
105.07031	0.5
107.08589	2.2
109.02858	0.4
109.10126	0.3
111.05704	0.3
115.05435	0.7
117.07024	0.4
119.08561	1.0
123.11672	0.3
127.03915	1.1
128.06238	0.6
129.06972	8.5
131.04881	1.7
131.08542	9.7
133.10081	0.4
135.08038	2.2
137.05943	3.3
141.06981	6.6
143.04797	0.3
143.08522	0.5
144.05663	0.5
145.04938	0.6
145.06424	0.6
148.05180	0.4
151.07492	0.5
157.06471	8.7
158.07245	3.2
159.08025	9.5
160.05182	1.3
161.05908	0.4
161.09647	0.5
163.07469	2.2
169.06459	5.0
170.07224	2.2
170.27231	0.3
171.07997	0.4
174.06729	19.2
175.07524	4.2
181.08588	1.2
186.06747	4.5
187.07507	0.6
188.08342	1.5
189.09070	37.1
190.09399	0.6
191.10635	2.9
199.09653	0.5
201.09079	14.2
201.10902	0.6
207.10201	0.5
211.16936	0.4
219.10133	100.0
220.10657	0.5
236.41028	0.3
237.11195	1.6
297.39679	0.3
335.09357	0.6
361.12924	1.9
447.85922	0.3
541.22424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
57.03419	0.4
61.37445	0.2
64.32722	0.3
67.05476	0.4
69.03399	1.4
71.04979	0.5
76.55367	0.3
81.07031	0.5
83.04920	0.3
85.02882	3.5
86.63860	0.2
91.05448	3.3
93.07018	0.4
95.08559	0.6
97.02847	0.6
103.05438	3.8
105.06992	2.1
107.04939	0.6
107.08604	0.4
109.10118	0.4
114.09027	0.3
115.05429	1.6
116.06336	0.2
117.06976	1.7
119.08547	4.1
122.03588	1.4
122.60632	0.2
123.08027	0.2
123.11706	0.5
123.30061	0.2
128.06224	1.9
129.06978	8.8
130.07829	0.3
131.04893	7.2
131.08537	11.0
132.05710	2.2
132.06523	0.3
133.06430	0.5
133.10085	1.4
137.05952	24.6
141.06961	7.0
143.04887	0.6
143.08505	0.6
144.05669	1.1
145.06454	1.8
146.07275	0.5
147.04320	0.4
147.08040	4.6
147.11551	0.3
151.07513	0.4
155.06056	0.3
157.05267	0.5
157.06456	8.6
157.07640	0.5
158.07268	3.8
159.08023	10.6
160.05156	2.6
161.09587	0.5
161.16740	0.3
163.07498	6.9
169.06432	5.1
170.07205	2.3
171.07990	1.1
172.40234	0.3
174.06721	19.6
175.07506	29.6
186.06737	4.5
187.07454	1.0
188.08284	1.2
189.09068	39.0
191.10651	2.9
193.08571	1.6
201.09079	14.3
203.10561	1.0
219.10123	100.0
220.10339	0.9
221.11670	0.4
237.11124	1.5
296.87524	0.3
325.14343	2.0
343.15314	1.1
372.60748	0.3
439.54492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.66757	0.3
55.01864	0.7
57.03427	0.7
61.02909	0.7
62.45851	0.3
65.03934	0.3
66.40318	0.4
67.05470	0.4
69.03423	2.7
73.02902	0.5
79.05473	0.7
81.03403	1.3
81.07022	1.5
83.04984	0.6
85.02417	0.5
85.02892	8.4
87.04481	0.5
91.05464	13.8
92.63097	0.3
94.04159	1.3
95.04952	3.7
95.08606	0.4
97.02875	3.2
101.23160	0.3
103.05433	2.3
105.06997	2.5
107.04948	3.9
109.02866	0.5
109.06503	2.9
111.04400	0.4
115.05435	1.8
117.07008	2.5
119.04924	12.5
119.08569	0.5
121.06463	3.3
122.03636	3.4
123.04416	0.6
123.08051	0.8
127.03867	1.6
127.11111	0.3
128.06210	1.9
129.06981	14.2
131.04878	4.4
131.08549	5.1
133.06467	1.7
135.04436	0.4
135.08022	4.2
136.05176	1.7
137.05962	64.4
138.06241	0.4
139.07523	0.5
141.06996	3.9
143.04910	1.8
144.05609	0.4
145.04979	0.7
145.06444	2.7
146.03593	0.6
147.04427	0.4
147.08101	0.8
149.05974	9.2
150.06726	0.5
151.03893	2.1
151.07529	71.4
152.06201	0.6
156.12981	0.4
157.06477	13.8
158.07249	2.3
159.08051	4.8
160.05173	1.7
161.05962	7.9
161.09598	2.8
162.06720	0.5
163.03857	0.5
163.07520	18.2
165.06934	3.4
165.09068	4.5
166.07745	0.6
167.07100	0.7
167.08505	8.7
169.06480	2.2
170.07248	0.6
174.06735	16.5
175.07509	8.1
177.06947	0.5
177.09056	3.8
178.07707	1.9
179.08534	1.7
181.06500	1.3
181.10057	0.5
182.07288	0.4
184.08817	0.4
186.06743	1.8
187.07501	0.8
189.09081	43.3
191.10599	1.5
192.09396	0.7
193.06456	4.5
193.08582	0.5
193.10121	6.0
194.07278	1.5
195.08032	19.5
195.09865	0.8
196.08752	0.7
197.06007	1.2
197.09685	0.6
201.09094	7.5
202.07811	0.4
203.08572	0.7
205.06551	0.5
206.07307	1.2
207.10126	4.6
209.05899	0.7
209.09593	3.2
210.06821	2.8
211.07486	1.2
212.08328	2.9
213.09114	0.4
219.10136	45.3
220.08827	1.3
221.06076	5.4
221.09599	7.0
223.07545	8.3
224.08328	2.7
225.05515	0.8
225.09076	6.7
227.10638	27.5
231.07996	0.5
234.06741	0.5
235.07558	0.6
237.09015	2.9
237.11098	0.3
238.06223	2.0
238.09805	1.4
239.07016	1.3
239.10712	0.8
240.07840	2.4
241.12199	0.7
248.08066	0.4
249.09099	5.2
250.09711	0.5
252.07793	1.5
253.08569	10.3
253.12195	13.4
254.09296	0.7
255.06325	0.6
255.10106	23.5
256.10907	0.5
265.08612	0.8
266.09335	0.6
267.10120	3.4
269.08044	3.2
269.11707	1.4
270.08691	1.4
272.10391	2.0
281.11725	4.9
284.10388	1.7
285.11172	14.8
287.12741	34.4
288.13214	0.5
297.11392	0.7
298.11948	0.6
299.12750	2.1
301.14194	0.8
313.10623	0.6
313.14297	26.5
331.15356	100.0
332.15912	0.4
343.15237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83206	0.1
57.03416	0.4
61.02877	0.2
65.06525	0.1
67.05470	0.3
69.03403	0.7
69.07021	0.2
70.06568	0.2
71.04979	0.3
76.71974	0.2
79.05465	0.2
81.03382	0.2
81.07024	0.8
85.02889	2.5
85.06496	0.3
91.05470	1.3
92.08695	0.4
92.64795	0.2
93.06991	0.3
95.08595	0.3
97.02848	0.4
103.05441	0.2
105.03349	0.4
105.06982	0.3
107.08579	0.4
109.10147	0.2
115.03926	0.2
115.05415	0.4
116.06233	0.3
117.07000	0.4
119.08577	0.2
121.06429	0.2
128.06161	1.1
129.06978	6.4
131.04918	1.6
131.08543	10.0
133.10051	0.3
137.05934	2.1
141.06956	6.9
143.04916	0.7
143.08543	1.0
144.05669	0.9
145.06425	0.7
146.07254	0.3
147.07965	0.2
151.07523	0.7
157.06467	7.7
157.10094	0.2
158.07220	3.3
159.08014	9.2
160.05162	1.1
161.05991	0.5
161.09592	1.1
163.07532	1.3
169.06421	3.9
169.07657	0.3
170.07217	2.0
171.08002	0.3
173.05840	0.4
174.06718	17.6
175.07520	5.0
177.09097	0.8
181.12325	0.2
183.08115	0.2
186.06720	4.3
187.07509	0.4
188.08272	0.9
189.09065	34.2
191.06989	0.2
191.10623	3.0
201.09079	13.3
203.10667	0.8
207.10133	0.3
219.10124	100.0
220.10411	0.7
221.11601	0.3
237.11130	2.0
242.43274	0.2
298.07880	0.3
298.41187	0.2
366.13852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42554	0.2
55.05500	0.3
57.03431	2.2
61.02899	0.6
69.03398	0.5
69.54424	0.2
73.02899	3.8
77.51594	0.3
79.05463	2.0
79.82417	0.3
81.07023	0.6
85.02888	0.6
91.05450	3.0
91.41242	0.3
93.07011	2.0
95.04935	0.6
95.08575	0.5
97.02926	0.3
103.05442	1.7
105.07009	9.9
107.04929	2.8
107.08578	0.4
109.06462	0.3
109.10130	0.5
115.05408	2.2
117.07011	2.6
119.04912	1.2
119.08564	0.4
121.06487	2.8
123.04405	1.3
123.08036	1.7
124.05197	0.4
128.06206	0.4
129.06972	1.7
131.04897	1.5
131.08517	0.6
133.06462	11.2
134.07185	0.4
135.08017	1.6
137.05949	4.3
138.06293	1.2
141.68011	0.3
143.06052	0.5
143.08546	1.0
145.06482	0.6
147.08035	0.3
149.05954	1.4
149.09576	0.5
150.06854	0.3
151.07518	8.8
152.04694	0.4
153.05455	0.5
157.06444	1.6
158.53107	0.4
160.05167	0.6
161.05949	10.7
161.09613	0.4
162.06738	2.5
163.07512	1.5
165.06924	0.3
165.09172	0.5
166.06142	0.9
167.07002	15.7
171.07974	0.5
173.05748	0.3
174.06743	0.6
175.07536	3.4
177.09074	100.0
178.06232	0.4
178.09447	0.4
181.08578	5.5
189.09084	4.8
191.06950	0.5
191.08475	0.3
193.08571	35.6
194.58936	0.3
195.08218	0.6
195.10147	3.9
197.09589	0.4
203.08755	0.3
203.10661	1.2
207.07918	0.3
207.10088	0.4
208.08691	0.4
210.06696	0.4
219.08069	0.5
221.06000	0.4
221.09642	0.4
221.11696	8.8
223.07552	0.6
223.11287	0.4
225.09113	1.5
227.06879	0.3
231.33009	0.3
235.07454	0.3
239.06927	0.4
251.10666	0.3
253.08522	1.1
255.06378	0.3
257.11713	1.5
269.08426	0.4
270.08829	0.4
279.10300	0.3
283.09818	0.9
283.13217	1.1
285.11182	1.6
309.11179	0.5
315.12119	1.3
317.13779	1.2
317.20230	0.3
323.13263	0.3
329.13684	0.3
341.13718	0.3
343.15280	2.3
361.16357	13.2
373.16296	1.2
381.93549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01842	2.2
57.03413	0.8
61.02899	1.8
62.37943	0.4
65.03927	0.5
69.03408	4.5
71.04956	0.6
71.52904	0.4
73.02886	0.8
73.19010	0.4
76.77953	0.4
79.05445	2.1
81.03387	2.2
81.07033	1.1
83.04964	0.6
85.02414	0.9
85.02888	14.6
91.05462	17.3
95.04941	3.6
97.02872	4.4
99.04424	0.6
103.05422	2.6
105.07006	2.3
107.04927	4.2
109.02853	0.7
109.06518	3.7
111.04424	0.5
117.06995	0.8
119.04918	15.4
121.06480	5.7
122.03638	3.0
123.07996	0.5
127.03909	1.8
128.06194	0.7
129.06973	13.4
131.04893	4.6
131.08481	0.9
133.06458	0.7
133.10139	0.5
135.08029	4.9
136.05182	2.8
137.05952	68.2
141.44650	0.4
143.04889	1.0
145.04930	0.5
145.06479	2.8
146.03551	0.6
147.04366	1.0
147.08005	1.1
149.05949	8.8
150.06744	0.8
151.03876	3.2
151.07518	71.6
152.51149	0.5
153.06863	0.5
157.06445	9.3
158.07310	0.8
161.05959	11.3
161.09615	2.7
163.07507	17.8
165.06943	4.6
165.09059	3.6
166.07784	1.0
167.07216	0.9
167.08525	10.3
174.06705	5.2
175.07500	6.7
176.08301	0.5
177.06934	0.6
177.07602	0.6
177.09084	7.9
178.07791	3.1
179.07001	0.5
179.08488	0.6
181.06462	2.0
182.07268	1.1
183.08043	0.5
184.08714	0.6
189.09081	24.8
190.09631	0.8
193.06477	4.4
193.10098	5.8
194.07127	0.6
195.08017	17.6
195.09920	0.8
196.08699	0.7
197.05898	1.0
197.09618	0.9
202.07932	0.8
203.08582	0.9
203.10466	0.5
206.07271	0.6
207.08182	1.0
207.10159	3.2
209.09605	3.0
210.06720	3.8
211.07480	1.9
212.08327	3.9
219.08070	0.6
219.10207	0.6
220.08673	0.6
221.06003	6.5
221.09572	8.6
221.11612	1.0
223.07481	8.0
224.08266	3.0
225.05495	0.7
225.09056	7.4
227.07109	0.8
227.10614	25.9
237.05257	0.7
237.09094	2.8
238.06165	2.1
238.09927	2.0
239.06929	0.7
239.10565	0.8
240.07729	2.8
241.12183	2.0
249.09021	3.9
252.07860	2.8
253.08548	10.9
253.12186	13.2
254.09320	0.8
255.06334	1.1
255.10110	25.3
265.08527	2.0
267.10034	4.9
269.08057	4.2
269.11539	0.7
270.08786	0.9
272.10452	3.0
281.11600	3.0
284.10446	2.4
285.11130	13.9
287.12720	31.1
298.12155	0.7
299.12781	1.1
301.14310	1.2
311.12744	0.6
313.14288	20.8
331.15335	100.0
343.15363	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	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03790	0.4
51.98626	0.5
53.62915	0.4
58.62584	0.5
61.21580	0.5
63.00119	0.5
67.05489	1.0
69.03387	0.7
69.07044	1.0
75.28266	0.5
78.57514	0.6
79.05488	0.9
81.03392	0.6
81.07026	4.5
85.02891	3.0
85.06545	0.8
86.08471	0.7
91.05457	3.8
93.07003	2.4
95.04947	0.9
95.08587	3.2
97.02879	2.2
97.10154	0.7
103.05453	7.2
105.06999	2.3
107.04890	0.6
107.08594	2.4
109.10162	1.4
109.61594	0.6
111.08196	0.6
117.06991	1.0
119.04922	2.7
121.06454	0.8
121.10136	1.3
126.32066	0.5
128.06143	0.8
129.06982	1.3
131.04906	20.4
131.27435	0.6
135.07961	0.6
137.05957	27.8
139.11218	0.7
143.08566	0.9
145.06506	0.7
147.04367	0.8
149.06007	2.3
151.07507	15.9
153.05457	2.4
157.06461	2.8
158.19560	0.6
159.11363	0.7
161.05949	3.3
162.06734	2.6
163.07509	30.0
165.06976	0.8
167.08487	1.3
171.07957	0.8
175.07529	5.2
177.09074	100.0
178.07558	0.6
189.09106	5.4
193.10030	0.8
195.08040	3.4
195.10022	1.1
219.10178	0.8
221.09683	1.6
221.11681	9.0
223.07542	0.8
227.10632	5.4
253.08311	0.6
253.12213	2.0
255.10037	3.9
267.10007	0.7
285.10919	1.0
287.12704	5.3
299.12943	0.6
311.12631	1.2
313.14224	2.7
331.15326	13.2
343.15314	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	540.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59547	0.1
53.00282	0.2
53.03937	0.4
55.01868	5.2
55.05504	0.1
57.03431	9.7
58.55913	0.1
59.04983	0.9
61.02915	4.5
65.03915	0.8
69.03419	12.7
69.07045	0.3
71.01347	2.2
71.04964	0.3
72.25545	0.1
73.02901	12.5
74.47079	0.2
77.88036	0.1
79.05477	0.4
81.03411	2.0
81.07043	0.3
83.01335	0.2
85.02892	21.8
85.06538	0.2
87.04460	1.7
91.05463	100.0
92.05791	0.7
93.07021	0.2
95.08603	0.2
97.02874	15.2
99.04410	1.2
103.03922	1.1
105.03295	0.2
107.04943	5.3
109.02874	1.6
109.10149	0.3
115.03912	6.2
119.08582	0.2
121.10052	0.2
127.03888	4.8
127.24810	0.2
133.04942	7.4
145.04932	5.7
151.03857	0.2
152.75719	0.2
163.05966	2.0
163.13374	0.2
189.24721	0.2
193.05090	0.3
199.06009	0.3
223.06041	0.4
229.08603	3.0
237.07594	0.2
241.06912	1.2
259.08118	1.0
437.00598	0.2
552.45435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.82579	0.6
55.01859	0.7
55.05502	9.1
57.03428	0.9
57.07059	1.2
63.18436	0.6
67.05495	14.6
69.03413	1.6
69.07057	16.9
69.26020	0.6
71.04967	3.5
79.05472	9.3
81.03374	0.9
81.07039	100.0
83.04934	1.0
83.08622	5.8
85.02881	3.5
85.06538	6.0
91.05463	9.5
93.07021	24.6
94.04150	0.8
95.04955	1.3
95.08585	30.0
95.09190	1.4
97.02882	1.0
97.06506	3.1
97.10152	11.3
99.08068	1.5
105.03332	1.0
105.06999	6.0
106.96298	0.6
107.08584	17.5
109.06464	0.8
109.10145	15.6
111.08063	11.0
111.11710	11.4
114.89675	0.7
119.08534	4.9
121.10123	17.9
121.32529	0.7
122.03616	3.9
123.11683	68.6
125.09597	1.5
129.09113	0.7
131.08549	1.2
133.06438	1.0
133.10078	4.1
135.11623	6.3
137.05959	61.2
137.13206	10.4
138.06219	1.1
139.11172	2.8
141.12714	9.2
147.11655	3.6
149.13242	21.4
151.03940	0.7
151.07558	3.2
151.11005	0.7
155.14307	7.7
157.10075	0.7
159.11703	1.0
161.13225	1.5
163.07494	1.3
163.11089	0.9
163.14757	3.3
169.12218	6.9
173.15337	3.6
177.09032	1.0
187.13254	38.2
195.13817	0.9
213.09131	0.8
224.94554	0.9
259.09525	1.5
269.22723	0.8
283.09460	1.0
287.23566	1.2
305.24667	17.9
309.11081	0.9
323.25888	5.2
329.11536	0.8
333.11008	0.8
341.26782	1.7
359.27823	3.6
366.72318	0.8
367.15378	3.5
379.15179	1.4
456.25558	0.7
485.19647	0.8
535.02435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03931	1.0
55.01866	4.5
55.05502	1.6
55.66627	0.2
57.03428	9.7
57.07054	0.2
59.04979	1.0
61.02910	6.2
65.03917	0.6
67.05186	0.2
67.05491	2.0
69.03414	14.3
69.07053	2.8
71.01338	2.0
71.04964	1.4
73.02899	28.9
75.04456	0.3
79.05480	3.1
80.10251	0.3
81.03401	2.3
81.06594	0.5
81.07037	8.3
82.07381	0.6
83.04982	0.5
83.08606	1.1
85.02888	27.5
85.06536	0.5
87.04446	2.0
89.17422	0.3
91.03928	1.5
91.05460	100.0
92.08657	0.5
93.07020	4.2
94.07353	0.3
95.04940	1.4
95.08592	4.5
96.08887	0.3
97.02869	20.3
97.06525	0.2
99.04464	1.1
99.08107	0.3
103.03928	1.6
105.07008	3.6
107.04936	31.3
107.08571	3.3
107.67486	0.3
109.02859	2.7
109.06479	0.5
109.10143	3.0
111.08071	0.5
115.03904	8.4
117.07057	0.5
119.04903	0.5
119.08564	2.2
121.06477	1.5
121.10085	2.4
123.11649	1.8
125.09588	0.4
127.03885	6.5
131.04910	0.6
131.08551	1.0
133.04944	6.8
133.06413	0.3
133.10126	1.4
135.08040	0.3
135.11693	1.6
137.13246	0.5
145.04936	6.1
145.06178	0.3
145.06610	0.3
145.10100	1.2
147.11671	1.1
149.06007	0.4
149.13242	0.5
151.03918	0.3
159.11702	1.1
163.05978	1.2
173.05888	0.4
193.05011	0.3
203.76109	0.3
223.06010	0.6
229.08557	4.6
241.07051	1.2
259.08096	1.2
289.25531	0.3
307.26312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
55.01861	0.7
65.03934	0.6
67.05482	1.9
70.91610	0.4
71.54550	0.4
79.05470	4.3
81.07034	2.2
84.74368	0.4
89.03871	0.5
91.05454	16.2
93.07012	2.5
94.04159	2.1
95.04930	3.2
95.08565	1.1
103.05444	4.7
105.07015	6.3
107.04928	7.4
107.08558	1.0
108.05727	1.0
109.06514	3.4
111.04412	0.9
111.07992	0.5
114.31859	0.5
115.05411	5.7
117.06983	7.3
118.04145	0.9
119.04919	8.9
119.08548	2.1
120.05708	0.7
121.06467	6.4
121.10210	0.5
122.03619	8.7
123.04421	0.6
123.08072	4.5
128.06189	2.6
129.06979	9.2
131.04913	7.2
131.08540	2.7
132.05682	1.1
133.02859	0.5
133.06477	3.1
135.04407	1.1
135.07982	4.2
136.05194	1.9
137.05952	100.0
138.06216	0.5
141.06990	0.6
143.04901	3.7
144.05673	2.1
145.06467	5.9
146.03566	2.9
146.07332	0.6
147.04364	4.6
147.08018	3.7
148.05168	0.9
149.05945	6.5
149.09578	1.0
150.06743	0.6
151.03880	2.9
151.07515	51.2
153.06926	0.8
157.06476	5.4
158.07211	0.8
159.04362	0.8
159.08005	1.1
160.05144	3.8
161.05942	44.0
161.09563	4.3
162.06651	0.6
163.07506	11.3
165.06953	4.2
165.09091	3.2
166.07761	2.3
167.07068	0.6
167.08542	1.1
169.06418	1.1
173.05882	1.0
174.06737	5.5
175.07504	34.6
176.06186	0.5
177.06972	2.5
177.09076	7.7
178.07764	2.2
179.07091	0.8
179.08452	3.5
181.06453	2.1
182.07265	2.6
183.08089	0.7
185.06001	2.6
187.07552	2.0
189.07047	2.0
189.09056	16.7
190.07765	1.2
191.06941	1.8
191.08565	2.2
191.10558	0.9
193.06421	3.3
194.07224	8.1
195.08072	4.2
195.10149	11.6
196.08754	0.7
197.05971	0.7
197.09526	0.8
198.06699	0.6
199.07616	0.7
202.07877	0.5
203.08629	0.9
205.06483	5.7
205.08548	2.0
206.07291	0.9
207.08038	3.6
207.10159	4.6
208.08807	0.7
209.05927	0.8
209.09628	2.2
210.06686	3.5
211.07393	4.3
212.08304	0.6
213.09003	0.6
217.06523	0.9
218.07272	2.6
219.08005	4.4
219.10126	2.0
220.08733	0.8
221.05959	6.9
221.09563	2.0
222.06734	6.8
223.07475	3.3
223.11034	1.5
224.08286	3.1
225.09035	5.7
227.06969	2.4
231.08014	1.1
232.08783	0.6
233.05902	2.9
233.09474	1.6
234.06680	4.4
235.07527	5.0
236.08197	3.5
237.05423	0.7
237.09027	10.2
238.06203	0.8
238.09877	0.5
239.07030	4.2
239.10603	1.8
240.07600	2.1
241.08533	1.9
245.05908	0.6
245.09604	1.8
246.06628	0.6
246.10274	0.6
247.07535	2.7
248.08289	2.8
249.05257	0.7
249.09045	8.4
250.06194	3.0
250.09787	0.6
251.06912	3.1
251.10687	4.5
252.07834	3.0
253.08475	6.9
253.12299	0.6
254.09363	0.6
255.06483	3.6
255.10130	0.8
259.07422	1.0
261.09106	2.2
262.06146	2.0
262.09827	1.0
263.06992	2.2
263.10608	2.1
264.07764	2.1
265.08517	18.1
266.09341	2.1
267.07336	0.6
267.10028	6.0
268.07068	1.0
269.07971	2.7
269.11609	1.0
270.08667	3.7
271.09723	1.9
274.09891	0.7
275.10535	0.6
276.07782	0.8
277.08563	7.5
277.12149	2.6
278.09183	1.9
279.06738	0.9
279.10114	5.1
281.08160	2.8
281.11655	1.0
282.08762	3.5
283.09586	5.4
284.10315	0.9
285.08865	0.6
285.11249	8.6
287.12659	0.8
290.09344	2.1
291.10086	2.9
293.07950	2.7
293.11688	2.0
294.08963	1.0
295.09619	2.0
295.13077	0.6
296.10306	2.3
297.11154	22.4
298.11960	0.7
299.12784	3.1
305.11661	3.3
306.12375	0.7
308.10391	1.8
309.11053	5.0
310.11774	0.7
311.12769	16.9
313.10593	2.3
313.13934	0.8
315.12244	5.7
317.14172	3.4
323.12778	6.7
325.14459	1.0
327.12866	0.6
329.13858	1.9
337.14316	15.3
341.13928	1.0
343.15326	0.8
349.14304	4.7
355.15350	24.2
367.15381	13.1
375.15527	0.6
429.16748	0.6
435.17767	0.8
457.62799	0.5
459.17908	0.5
459.46112	0.5
461.19421	3.4
465.19006	0.7
473.19586	0.9
479.20322	5.8
491.20483	3.2
509.21765	5.5
546.85834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.2
57.03428	2.4
59.29659	1.4
64.29570	1.5
69.03424	3.4
71.05012	2.0
73.28527	1.5
81.03415	1.5
83.83383	1.5
84.04483	2.3
85.02883	12.5
99.53934	1.7
108.04470	11.9
119.01884	6.9
122.06028	2.2
122.25206	1.7
138.05586	2.4
140.07028	2.3
148.03947	3.5
148.07545	1.9
150.05466	2.0
160.07639	1.8
161.03024	2.8
163.03905	1.9
168.06516	12.9
171.09151	1.9
176.07072	2.4
185.02928	7.6
185.10765	3.5
191.03941	2.8
196.07582	3.8
198.09290	3.0
199.08665	18.9
200.09477	10.5
201.06573	3.2
203.08208	1.8
211.08769	2.1
213.06653	6.8
213.10191	20.6
215.08186	4.2
217.09798	2.3
223.08556	12.0
224.07079	2.9
225.06622	1.9
225.10204	7.8
226.08690	4.0
227.08133	44.8
227.11716	2.6
228.08922	3.7
229.09686	9.2
237.10344	6.8
239.08113	2.5
239.11870	6.5
241.09657	34.8
243.07648	9.6
243.11340	7.4
245.05098	7.9
251.08215	4.2
252.06528	3.5
253.09644	8.4
255.07579	35.9
255.10188	2.1
255.11400	2.7
256.08411	2.7
257.09305	3.0
259.10727	3.4
263.10065	1.9
265.09766	4.1
267.07425	2.0
267.11365	8.1
269.09146	43.9
271.10831	11.8
273.08832	7.0
275.06018	3.9
281.09314	8.7
283.07211	3.7
283.10834	8.9
285.08997	2.9
285.12198	3.2
287.10239	24.9
289.11908	2.5
293.09143	2.3
295.10797	3.9
297.08722	25.7
297.12036	4.6
299.10263	8.7
307.10602	2.4
311.10254	15.8
313.11835	11.5
315.09708	76.2
317.11194	3.5
325.08304	3.2
325.11966	3.8
329.11450	2.2
339.09677	6.4
343.08975	13.4
343.12772	2.5
345.10916	3.6
347.12277	18.2
355.12781	2.8
361.11407	2.1
365.11368	2.8
371.12259	29.5
373.13913	10.6
375.11792	95.3
377.13339	3.3
385.13785	2.7
399.11957	7.3
425.13770	2.1
431.14474	31.3
455.14880	2.2
467.15054	2.0
473.15417	2.9
485.15613	16.4
497.28171	2.0
503.16586	15.0
510.61215	1.9
521.17615	32.4
539.18671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.62291	0.2
55.01870	1.1
55.05489	0.8
57.07077	0.2
59.04991	0.3
65.03928	1.0
66.04719	0.2
67.05493	2.2
68.69872	0.2
69.03407	0.9
69.07061	1.7
69.07359	0.2
69.19578	0.2
70.75601	0.2
71.04949	0.3
77.03897	0.3
78.04650	0.2
79.05473	4.8
81.07035	4.5
83.04978	0.4
83.08573	0.3
85.02885	0.4
85.06530	0.5
89.03896	0.3
91.05457	15.2
93.07005	3.6
94.04149	2.8
95.04944	3.4
95.08563	2.7
97.06493	0.4
97.10139	0.3
98.50150	0.2
103.05437	4.1
105.03339	0.4
105.07007	6.6
107.04939	6.1
107.08562	2.5
108.05721	0.9
109.06509	3.0
109.10145	1.6
111.04428	1.1
111.08055	0.2
115.05437	6.0
116.06209	0.4
117.06992	5.4
118.04156	0.3
119.04123	0.4
119.04919	8.2
119.08559	2.3
120.05698	0.3
121.06471	6.2
121.10137	1.5
122.03616	7.7
123.04388	1.0
123.08038	4.8
123.11678	1.0
125.05966	0.9
128.06169	2.8
129.06982	8.8
130.07800	0.2
131.04903	5.8
131.08540	2.8
132.05663	1.2
133.02832	1.0
133.06456	2.9
133.10104	0.4
135.04388	2.1
135.08026	4.4
135.11615	0.9
136.05180	1.9
137.05951	100.0
137.13202	0.2
139.05411	0.3
139.11214	0.3
141.06963	1.1
143.04887	3.0
144.05663	0.9
145.06459	5.3
146.03609	2.2
146.07202	1.8
147.04396	3.4
147.08038	4.2
148.05148	1.4
149.05963	5.9
149.09599	1.5
149.13257	0.5
150.06740	0.9
151.03908	3.0
151.07513	43.1
152.06175	0.8
153.05591	0.2
153.06975	1.5
153.12753	0.3
155.04890	0.4
155.06070	0.3
155.08551	0.3
156.05710	0.5
157.06450	5.9
158.07225	0.5
159.04370	0.8
159.08038	1.8
160.05171	3.5
161.05943	43.6
161.09570	6.5
161.10881	0.4
161.13228	0.3
162.06714	1.3
163.07506	11.8
165.05592	0.5
165.06958	4.9
165.09076	3.7
166.07695	1.9
167.06996	1.3
167.08511	1.3
168.05698	0.4
169.06454	1.4
171.07918	0.4
173.05908	1.4
173.17776	0.2
174.06709	5.4
175.07503	31.5
176.08250	0.3
177.05562	0.5
177.06953	1.3
177.09074	7.9
178.07718	1.9
179.06963	0.8
179.08528	2.6
181.06386	2.2
181.10088	0.4
182.07217	1.5
183.08044	1.6
185.05939	1.9
185.09544	0.3
187.07494	2.6
188.08231	0.3
189.05464	0.3
189.07031	1.4
189.09064	14.9
190.07739	1.2
191.06932	2.5
191.08556	2.8
191.10600	1.2
192.09233	0.2
193.06447	3.1
193.08522	0.9
193.10104	0.4
194.07230	7.9
195.08031	3.9
195.10117	12.7
196.05167	0.2
196.08823	0.9
197.05962	1.1
197.09528	0.5
199.07539	1.8
200.08237	0.3
201.09082	0.9
202.07768	0.9
203.08507	0.5
205.06441	5.8
205.08517	1.2
205.10179	0.5
206.07300	1.6
207.07976	4.0
207.10117	4.9
208.08780	1.4
209.05978	1.6
209.09657	2.2
210.06712	2.7
211.07486	3.4
212.08246	0.5
213.05505	0.4
213.09032	1.8
215.08553	0.5
217.06436	1.0
217.10052	0.5
218.07220	1.5
219.07979	4.3
219.10114	3.9
220.05254	0.3
220.08800	1.4
221.05940	6.5
221.09389	2.0
222.06691	6.3
222.10199	0.2
223.07564	3.0
223.11116	1.0
224.08260	2.7
225.05647	0.3
225.09055	5.4
226.09802	0.4
227.06917	1.8
227.10619	1.2
231.07986	1.5
233.05948	2.5
233.09531	1.7
234.06700	4.2
234.10182	0.4
235.07539	3.7
235.11081	0.4
236.08231	2.5
237.09055	9.2
238.06090	1.7
238.09767	0.7
239.06914	2.7
239.10571	2.2
240.07689	1.0
241.04805	0.3
241.08498	1.5
243.10115	0.4
245.05968	0.5
245.09572	2.3
246.06642	0.9
246.10333	0.5
247.07423	2.7
248.08272	2.3
249.05499	0.9
249.09052	7.6
249.12820	0.3
250.06195	3.2
250.09837	0.5
251.06956	2.8
251.10597	4.0
252.07726	2.0
253.08522	6.3
254.09232	1.6
255.06355	3.2
255.10034	1.5
256.07150	0.4
257.09616	0.4
258.06680	0.3
259.07449	1.3
261.06259	0.2
261.09012	2.2
262.06171	1.9
262.09821	1.4
263.06973	1.9
263.10510	2.1
264.07782	2.6
265.08533	20.0
265.11951	1.0
266.09341	1.7
267.06506	1.2
267.10052	5.2
268.07095	1.6
268.10965	0.4
269.07849	1.8
269.11673	1.2
270.08856	3.0
271.09683	1.7
273.09061	1.1
274.09729	0.5
275.06958	0.8
275.10461	0.9
276.07584	1.1
276.10867	0.3
277.05508	0.3
277.08481	8.3
277.12091	2.7
278.09241	1.5
279.06689	0.8
279.10028	5.3
280.07208	0.2
280.10864	1.0
281.07977	3.4
281.11734	1.0
282.08658	1.9
283.09616	4.6
283.12753	0.5
284.10333	1.3
285.11206	7.5
287.12692	0.9
289.08624	0.4
289.12067	0.9
290.09296	0.8
291.10089	2.9
293.07993	2.8
293.11578	1.5
294.08789	1.0
295.09546	2.8
295.12891	0.5
296.10388	1.9
297.11160	19.5
299.12802	3.5
302.09152	0.3
303.09860	0.3
305.11591	2.7
305.24588	1.2
306.08691	0.5
307.09564	1.3
308.10318	2.3
309.08322	0.3
309.11151	5.3
310.11978	0.3
311.12772	14.7
313.10562	1.9
313.14050	0.7
315.12296	5.0
317.13635	2.9
318.12656	0.4
319.09741	0.4
319.13116	0.4
321.11087	1.2
322.11871	0.4
323.12759	6.6
323.25656	0.4
325.14063	1.0
327.12228	0.5
329.13559	1.4
335.12701	1.0
337.14279	14.2
339.10022	0.3
340.12476	0.2
341.14233	1.7
341.26993	0.3
343.15182	1.5
349.14252	4.2
353.11719	0.3
355.15335	20.7
357.10980	0.4
367.10632	0.4
367.15332	11.2
368.10355	0.4
369.10565	0.3
369.14856	0.3
371.12564	0.5
375.15771	0.4
385.16302	0.5
403.15323	0.4
413.13028	0.4
433.16171	0.5
435.17776	0.4
441.16025	0.3
445.16248	0.3
447.17569	1.0
459.17883	0.4
461.19379	3.3
465.18582	0.5
469.33139	0.2
473.19678	0.3
479.20520	5.4
491.20633	1.9
498.64798	0.2
509.15485	0.3
509.21820	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	538.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70433	2.0
55.05490	16.5
57.03381	2.0
57.07066	3.2
62.94278	2.3
67.05197	2.4
67.05501	42.0
67.25175	1.9
68.70268	2.1
69.03422	2.6
69.07060	31.9
69.21104	2.3
71.04970	6.1
72.37354	2.5
79.05470	17.2
81.07038	77.9
83.04974	3.8
83.08621	3.4
85.06520	4.9
91.05459	54.8
93.07019	23.3
95.08578	39.1
103.05470	5.5
105.07017	100.0
107.08571	48.1
109.06503	5.7
109.10142	89.8
117.06996	17.8
117.08988	2.5
119.08572	35.7
121.10077	19.1
123.11686	17.1
127.07510	3.4
129.06989	13.3
131.04901	37.9
131.08542	36.9
133.10095	56.9
135.11656	11.1
137.13210	14.1
141.06976	10.1
143.08548	13.0
145.10081	13.9
147.11603	9.5
149.13255	12.4
151.11183	20.5
151.14821	4.3
155.08528	16.3
156.39883	2.7
157.10118	28.0
159.11691	4.5
161.13185	3.1
167.08606	3.0
169.10114	27.2
169.12183	19.5
181.10123	6.3
183.11649	17.0
185.13251	3.4
187.11125	14.2
189.16272	3.3
203.17944	18.3
205.19540	3.2
211.14769	4.0
223.14764	5.9
264.86166	2.5
307.24146	45.6
317.17279	20.8
335.23608	11.2
373.23581	3.7
521.36212	95.7
538.39508	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	538.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41238	1.2
55.01866	1.4
55.05503	25.7
57.07066	11.5
67.05493	40.9
69.03413	3.1
69.07052	30.3
69.86629	1.6
71.04964	2.7
71.08618	1.7
72.45251	1.7
79.05475	28.2
81.07040	94.8
82.07337	1.4
83.04980	2.8
83.08612	21.8
85.02889	7.2
85.06559	1.8
85.10155	2.1
91.05460	24.7
93.07022	70.5
94.07404	1.8
95.04961	3.8
95.08585	100.0
97.06523	6.2
97.10152	16.0
99.08025	1.8
100.07600	2.2
100.11240	8.3
101.83886	1.4
103.05466	1.8
105.07014	34.9
107.08578	58.1
109.06495	3.9
109.10147	51.6
111.04414	3.3
111.08083	3.5
111.11710	8.2
112.07529	1.6
116.89725	1.7
117.07004	2.1
119.08559	30.8
119.42526	1.5
121.10123	42.5
123.08050	2.9
123.11674	21.3
125.09621	2.4
128.07080	1.8
131.08495	5.4
133.10118	53.1
135.11667	31.7
137.09576	7.8
137.13226	6.2
139.11179	2.0
143.08577	2.2
145.10130	8.1
147.11679	16.3
149.13243	51.9
150.06818	1.9
151.11176	7.6
151.14886	1.7
157.10126	1.7
158.56827	1.7
159.11691	12.6
161.13214	13.6
163.14825	12.8
165.12752	3.8
165.16408	1.9
167.14214	1.7
173.13287	2.8
175.11234	1.9
175.14789	3.1
177.16304	2.7
182.15396	10.1
184.17065	3.1
185.13292	2.3
187.14870	3.1
189.16422	8.1
203.17943	2.5
210.14891	7.3
233.22581	1.9
259.24219	23.3
266.21109	3.7
269.22696	3.9
277.25250	17.1
287.23660	6.6
293.24747	16.4
294.20593	2.7
305.24725	60.7
323.25711	29.4
323.89478	1.6
361.03333	1.9
520.36890	7.9
538.37970	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	538.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43785	0.9
55.05493	1.5
57.07103	1.0
58.52821	1.0
64.78466	1.0
67.05488	7.4
68.13660	1.1
69.07052	6.1
71.04990	1.8
79.05497	2.2
81.07032	16.4
83.08634	1.3
85.02873	1.1
85.06490	1.1
88.61127	1.0
91.05466	5.7
92.08733	2.3
93.07025	10.5
93.21268	1.3
95.05007	1.1
95.08614	4.1
95.18952	1.2
103.05447	23.0
105.06997	10.3
107.08578	13.5
109.06497	2.5
109.10143	23.1
109.57490	1.1
119.08558	1.4
121.10127	9.9
123.11672	5.8
131.04904	100.0
131.08588	1.6
133.10097	15.4
135.11707	1.4
143.08572	1.5
149.13278	4.9
151.11174	6.5
154.19791	1.3
169.12184	2.2
203.17844	1.9
205.19464	12.5
233.62617	1.2
307.23981	1.3
317.17395	40.5
397.51685	1.1
400.71460	1.2
455.34143	1.1
521.36133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25791	0.9
53.03941	1.0
55.01862	7.0
55.05491	5.4
57.03427	15.6
57.07057	1.1
59.04982	5.3
61.02909	4.9
67.05495	4.8
67.85668	0.9
68.06211	1.2
69.03410	17.8
69.07054	12.8
71.01363	1.5
71.04971	6.1
73.02908	8.9
79.05465	4.4
81.03380	1.6
81.07034	14.6
83.04974	5.0
83.08610	9.6
85.02887	35.7
85.06522	5.7
87.04439	1.7
91.05456	7.7
93.07024	15.3
95.04329	1.9
95.04941	51.2
95.08567	9.0
97.02863	15.8
97.06505	38.8
99.04441	11.1
99.08076	4.6
105.07005	24.7
107.08582	25.6
109.02863	2.2
109.06500	47.8
109.10146	15.9
111.08042	7.0
113.09650	1.0
115.03882	4.4
115.07551	1.3
119.08551	18.2
121.10128	38.1
123.08056	13.0
123.11687	5.2
125.05892	1.1
125.09549	1.8
127.03893	7.2
127.07521	1.5
131.08534	14.7
133.04984	1.8
133.10100	61.9
135.08044	10.5
135.11661	6.3
139.11160	2.4
145.04941	7.1
145.10092	7.6
145.30777	1.2
147.11662	58.8
149.09590	2.2
149.13232	8.2
151.11145	4.9
153.09070	35.4
158.10907	2.6
163.14789	15.5
165.12694	11.4
171.10107	5.8
173.13217	28.3
191.14267	56.5
204.06639	1.8
209.15323	69.3
227.16373	100.0
301.12534	1.4
371.21017	1.5
389.21552	13.5
435.29373	1.2
544.37061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67897	0.3
53.03928	0.5
55.01870	1.1
57.03429	1.9
61.02914	2.5
63.55981	0.2
64.95338	0.2
65.89850	0.2
67.05508	0.3
69.03414	4.8
71.04984	0.7
73.02921	0.5
74.17818	0.3
74.42664	0.3
79.05482	1.5
81.03405	2.5
81.07048	1.9
82.66967	0.3
85.02889	16.9
87.04439	0.5
89.29770	0.3
90.44438	0.2
91.03907	0.4
91.05463	3.5
93.07034	1.5
94.04150	1.1
95.04925	1.0
95.08597	0.5
97.02872	5.4
99.04424	0.6
103.05443	3.8
105.07005	5.9
107.04936	4.6
107.08559	1.2
108.05715	2.1
109.02844	1.5
109.06504	1.6
109.10147	0.6
115.05408	0.5
117.06980	2.5
117.41264	0.3
119.04911	0.4
119.08559	2.0
121.06482	6.2
121.10134	0.5
122.03613	4.8
123.07996	0.4
123.11655	0.5
127.03899	1.8
128.06218	0.3
129.06972	1.3
131.04892	6.5
131.08591	0.4
133.06465	20.7
134.98204	0.3
135.04388	1.4
135.08041	0.7
135.11679	0.3
136.05179	6.0
137.05957	100.0
138.06750	0.4
143.04881	0.6
143.08604	0.4
145.04958	2.1
145.06451	3.1
146.07251	6.4
147.08023	9.6
149.05960	1.2
149.09557	0.3
150.06729	2.3
151.07521	86.3
157.06462	1.6
159.07945	0.5
159.11661	0.3
160.08795	0.4
161.05916	1.2
161.13199	0.3
162.06715	1.8
163.06227	0.5
163.07509	10.7
165.09099	7.6
171.07986	1.6
173.05905	0.3
174.06700	1.2
175.07501	2.0
176.08276	1.6
177.09073	26.9
179.10701	0.3
180.08582	0.5
187.07507	0.5
188.08194	0.7
189.09053	4.3
191.00493	0.3
191.10587	2.2
201.08995	0.7
202.09749	1.2
203.10637	5.1
217.12224	1.2
277.12094	0.4
278.12885	1.5
309.14783	9.3
326.15085	6.7
341.17401	36.1
359.18460	11.2
415.30502	0.3
420.02753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85500	0.5
53.03932	0.8
55.01847	0.8
55.05494	0.7
57.03427	1.1
61.02912	2.7
65.03922	0.6
65.42113	0.5
67.05490	1.1
69.03423	5.4
69.07060	2.1
71.04974	2.2
73.02901	2.1
74.20596	0.5
77.70068	0.4
79.05457	2.8
81.03398	2.5
81.07033	6.8
83.04964	1.1
85.02889	14.0
85.06522	0.8
87.04446	0.7
91.05460	3.5
93.03327	0.5
93.07041	3.6
94.04154	1.1
95.04930	1.0
95.08588	3.6
97.02858	6.0
97.06541	0.7
99.04397	0.7
103.05463	2.2
105.07016	3.5
107.04955	0.9
107.08573	3.0
109.02865	0.9
109.06490	2.4
109.10146	2.3
111.04432	2.5
111.93787	0.6
115.05431	9.0
117.07010	3.2
119.04890	1.0
119.08527	1.0
120.73911	0.4
121.10114	2.8
122.03635	4.5
123.11681	10.2
125.05982	2.4
125.09639	0.8
127.03893	3.1
128.06175	1.2
129.06955	7.6
131.04901	6.9
131.08542	0.8
133.10109	3.3
135.11629	0.5
137.05954	100.0
143.04898	10.8
144.05653	2.3
145.04947	2.2
145.06459	2.8
145.10121	2.0
146.03629	1.3
147.04466	0.6
147.08041	0.7
147.11615	0.7
149.05992	0.8
151.03851	0.6
153.05434	3.2
153.09125	0.8
157.06520	7.1
160.05165	22.7
160.06441	0.9
161.05963	5.1
163.07506	3.0
163.35004	0.6
167.14232	0.7
168.51289	0.6
172.05185	2.7
173.05905	0.9
174.06776	3.9
175.07510	98.7
176.07841	1.0
177.09026	0.7
180.08649	0.9
187.07495	39.8
189.09053	8.1
191.08485	0.7
203.08530	2.0
205.08578	12.5
209.15273	0.8
211.07584	2.0
217.08585	2.6
219.08058	2.2
219.17361	1.1
227.06985	0.7
227.16420	2.7
231.07991	2.6
235.09607	15.0
239.06999	0.9
240.07903	0.7
248.08279	2.4
251.10535	1.0
255.06429	0.9
259.07605	1.0
260.08331	0.6
263.10626	3.1
270.08774	2.0
271.09607	2.0
276.07785	1.0
279.10098	1.2
283.09717	0.9
291.10123	5.0
311.12851	2.7
323.12677	3.3
341.13821	4.8
484.25061	0.6
509.31857	0.6
536.71918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01863	2.2
55.05508	35.2
55.26401	1.7
57.03422	7.9
57.07072	2.9
67.05490	31.1
69.03394	13.4
69.07056	32.7
71.04964	12.5
73.02891	3.7
79.05477	29.5
81.03366	3.4
81.07039	100.0
83.04958	13.8
83.08617	4.9
85.02877	18.9
85.06525	10.3
91.05466	31.6
93.07021	79.8
95.04956	20.6
95.08584	83.3
97.02876	5.1
97.06508	19.8
97.10162	17.9
99.08065	4.3
103.05441	2.6
105.07014	73.9
107.08578	87.1
109.06496	10.5
109.10143	50.0
111.08072	11.1
116.98550	3.2
117.06992	11.3
119.08562	71.7
120.07921	2.0
120.08881	3.9
121.06419	3.7
121.10133	49.9
123.08031	11.8
123.11690	27.4
125.09586	13.3
129.06989	2.7
131.08531	21.5
133.06438	2.2
133.10112	47.1
135.11655	31.0
137.05942	13.3
137.09593	4.1
137.13275	2.9
140.26743	2.4
145.10127	28.2
147.04419	4.1
147.11662	48.1
149.09628	8.4
149.13251	24.0
151.11183	18.9
155.10699	2.2
156.09332	3.4
159.11656	27.0
160.11894	2.0
161.13264	24.0
162.13474	3.7
163.11160	11.2
163.14769	16.5
165.12753	11.1
167.10667	9.8
171.11662	9.4
173.13193	15.9
175.07512	3.5
175.11150	2.1
175.14783	8.7
177.12729	4.6
179.14340	3.1
181.12173	3.1
187.14758	16.0
189.09061	2.8
189.12651	4.4
191.14284	25.2
195.13771	3.2
201.16342	3.6
205.15909	4.0
207.13750	25.6
208.14157	11.0
209.15347	41.4
222.13374	2.1
227.16360	27.5
244.53204	2.1
257.22562	4.6
267.11826	3.3
267.20874	4.6
275.23605	4.2
285.22040	10.6
291.23175	8.1
293.17249	4.0
303.23062	49.0
321.24194	27.4
339.25253	8.0
364.12070	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	537.3267
Annotation	glas#24
Peak:m/z	Relative Intensity
51.16888	0.4
53.03938	0.7
54.81610	0.6
55.01859	0.6
55.05508	11.5
56.96518	0.4
57.03430	2.1
57.07064	3.2
61.02905	0.6
65.03945	0.4
67.05135	0.9
67.05492	20.8
69.03421	2.7
69.06710	0.8
69.07057	13.4
69.65611	0.5
71.04970	3.3
71.08642	0.5
72.75792	0.4
78.98722	0.4
79.05476	14.4
81.03413	2.6
81.07040	100.0
83.04961	4.7
83.08612	4.6
85.02895	3.3
85.06522	2.8
91.05458	7.6
92.09363	0.8
93.06427	0.6
93.06591	0.6
93.07025	26.2
95.04971	3.4
95.08588	27.8
97.02889	0.5
97.06524	3.7
97.10157	10.9
99.08057	0.7
100.05939	0.5
103.05443	0.6
105.07024	16.6
107.04967	0.6
107.07864	0.9
107.08583	25.5
109.02856	0.6
109.06493	5.9
109.10142	38.1
111.08070	2.2
111.11726	1.7
117.06997	3.5
119.08559	15.5
120.88277	0.5
121.06526	0.9
121.10126	13.1
123.08051	2.4
123.11687	66.9
125.09625	2.8
127.07555	1.7
129.06955	0.5
131.08540	6.0
133.10120	9.2
135.11670	27.0
135.12672	1.0
137.09637	2.7
137.13203	1.7
139.11140	0.7
141.12721	8.5
143.08574	0.6
145.10115	6.9
147.11656	12.0
149.09521	0.7
149.13266	2.7
151.11172	2.1
153.12732	5.4
157.10217	0.6
159.11655	5.2
161.13197	4.2
163.11201	2.6
163.14891	0.9
165.12778	2.4
169.10052	0.7
169.12216	5.3
171.13814	3.3
173.13242	1.1
175.07567	0.8
175.14822	2.4
177.12799	0.8
185.13168	0.6
187.13274	30.7
187.14796	3.3
201.16394	0.8
204.38226	0.5
205.15886	1.0
213.18414	0.6
243.54492	0.5
257.22580	0.9
261.22119	0.7
267.21082	0.8
275.23679	3.1
285.22134	2.5
291.23233	1.1
293.24844	0.5
303.23117	18.7
321.24170	10.9
339.25186	0.8
375.17743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48199	2.1
53.03937	4.2
54.81749	2.3
55.01848	2.9
55.05500	15.8
55.54676	2.3
57.07067	10.3
58.56554	2.1
59.55123	2.2
63.74820	2.1
67.05495	27.0
69.03394	2.7
69.07057	30.3
71.04974	10.0
72.08647	2.4
78.18761	2.5
79.05474	30.3
81.07037	65.0
83.08607	6.1
85.06551	6.4
91.05455	35.2
92.08594	8.4
93.07032	98.3
95.04948	51.0
95.08576	52.3
97.06520	4.7
103.05448	17.0
105.07011	98.7
107.04919	3.5
107.08575	73.8
109.06493	9.9
109.10132	37.2
111.04447	3.2
111.08047	10.2
117.07019	16.3
119.08562	100.0
121.06490	13.5
121.10116	65.7
123.08018	3.4
123.11700	21.6
130.07809	3.2
131.04903	56.3
131.08534	25.4
133.10109	43.5
135.08047	24.7
135.11676	49.8
136.12488	2.6
137.05980	4.2
137.09615	10.5
137.13165	3.5
143.08522	5.3
144.09270	2.8
145.10115	57.2
147.11667	37.9
149.09641	4.8
149.13205	29.1
157.10114	5.9
159.11684	42.1
161.09633	3.6
161.13167	22.5
163.11200	10.5
173.13263	4.3
175.14803	22.1
177.12776	16.7
177.16377	5.1
190.46240	2.5
191.14227	3.2
191.17889	25.3
193.15840	10.0
201.16359	40.3
203.17917	57.0
205.19499	3.9
219.17407	43.7
220.18185	13.6
235.17004	3.1
237.18402	25.8
238.22002	2.4
501.33395	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	537.3034
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05493	1.9
55.12070	0.5
67.05494	3.6
69.03422	1.0
69.07055	0.9
71.04956	0.9
79.05484	4.1
81.07050	5.5
82.07330	0.7
83.04971	1.7
85.06535	0.5
91.05466	3.8
92.05750	0.5
92.09311	1.9
93.07021	7.1
94.07363	0.6
95.04947	2.3
95.08584	3.5
96.08888	0.5
97.06511	0.9
99.04427	0.6
103.05447	1.0
105.07020	7.8
106.07342	0.8
107.08591	5.0
109.06483	0.7
109.10135	2.0
117.06953	1.5
119.08562	5.0
120.08907	0.6
121.06525	1.8
121.10115	2.0
123.08100	0.8
128.06157	0.6
131.04918	1.6
131.08588	3.8
133.10126	2.8
134.10521	0.5
135.08034	0.9
135.11653	0.6
138.38614	0.4
141.29884	0.4
142.07730	0.7
143.08553	1.8
145.10146	3.9
146.10521	0.7
147.08081	1.0
147.11716	1.0
149.13287	0.7
157.10127	1.0
159.11688	1.0
161.09622	0.6
175.11185	0.6
203.05283	1.7
217.15918	0.6
233.15326	0.8
235.17006	0.6
249.14940	0.6
250.15385	0.4
259.07889	0.8
266.15067	0.5
309.29486	0.4
366.57742	0.5
523.44653	0.5
526.27698	0.5
537.30273	100.0
538.30920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
54.70605	2.5
55.05509	25.6
57.07060	13.6
67.05506	29.2
69.03415	6.5
69.07058	34.7
71.04971	11.2
74.09692	3.0
75.16994	2.5
76.95670	2.6
79.05478	34.4
81.07047	70.0
83.04971	6.3
83.08625	4.5
85.02896	5.2
85.06530	11.9
91.05462	54.1
93.07030	100.0
95.04951	36.6
95.08588	55.9
97.06503	13.7
103.05452	35.3
105.07026	88.0
107.08588	67.6
109.06528	15.5
109.10144	29.4
111.08034	3.2
117.07029	19.2
119.08569	66.2
121.06463	11.5
121.10128	50.9
123.08068	5.5
123.11695	13.7
125.09668	3.3
128.06255	3.8
128.25908	2.6
130.07817	3.5
131.04904	89.3
131.08597	26.0
133.10124	42.5
135.08063	14.1
135.11702	41.1
137.05992	2.8
137.09621	5.4
138.30150	3.0
142.07753	3.6
143.08597	12.0
144.09271	3.9
145.10110	74.4
146.10548	3.2
147.11679	38.3
149.09645	4.3
149.13248	12.8
157.10103	5.1
159.11664	47.8
161.09590	5.9
161.13243	21.9
163.11185	4.7
165.09108	3.1
171.11635	3.3
173.13271	11.1
175.11194	3.2
175.14757	24.9
177.12747	11.3
177.16354	4.0
181.09956	3.5
181.12094	3.8
187.14853	3.2
189.16364	5.5
191.17926	19.8
193.15877	22.7
193.28906	3.3
201.16402	43.7
203.17921	28.5
205.19470	3.3
217.15944	4.3
219.17429	39.7
220.18164	3.9
221.19037	6.1
228.94565	2.7
230.96994	3.2
233.15382	6.3
235.16968	17.7
237.18416	15.4
341.97754	2.7
371.28918	3.3
501.33646	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	536.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
53.39384	1.5
54.82508	1.5
55.01860	3.4
55.05268	1.5
55.05500	17.2
57.03427	2.2
57.07056	7.5
59.04976	8.7
65.03922	6.9
65.95172	1.4
67.05487	31.8
69.03403	4.0
69.07048	25.9
71.04980	8.1
79.05472	43.1
81.07038	91.1
83.04961	25.5
83.08601	3.2
85.06520	2.0
86.26137	1.8
87.11333	1.7
87.75993	1.5
91.05460	58.5
92.09299	3.4
93.03381	10.3
93.07020	76.1
95.04946	21.6
95.08591	45.7
97.06511	10.5
97.15314	1.6
99.04419	10.8
105.07011	84.3
106.07772	2.4
107.04933	7.9
107.07865	3.4
107.08577	93.8
109.06498	26.4
109.10125	19.6
111.08044	8.1
117.07001	17.9
119.04953	7.7
119.08552	64.4
121.06474	12.1
121.10120	39.5
123.08047	8.3
123.11686	3.4
125.09643	3.3
127.07563	1.8
128.06189	4.1
129.07002	11.0
131.08533	44.8
133.06490	8.3
133.10104	49.9
135.08023	69.9
135.11682	9.7
137.05972	20.2
137.09590	7.8
142.07712	14.1
143.08542	21.9
144.09323	2.5
145.10100	38.7
147.08006	11.0
147.11655	22.5
149.09586	18.1
152.08313	9.6
156.09340	2.8
157.10083	34.1
158.10837	1.9
159.08025	2.1
159.11670	27.0
161.09592	43.9
161.13232	8.5
162.10294	3.4
163.11174	10.7
171.11671	2.1
173.13179	13.1
175.09714	2.3
175.11072	19.0
175.14755	9.3
179.83472	2.0
181.12227	23.3
189.12683	3.1
189.16313	12.8
199.14787	19.4
199.91270	2.7
201.16331	8.4
203.17889	3.5
210.12605	2.3
217.15845	100.0
219.17491	2.7
233.15474	2.2
251.16371	84.2
273.93619	2.0
476.45938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.4
53.03933	0.7
55.05497	2.6
57.07064	1.5
67.05496	4.7
68.24069	0.3
69.03416	0.5
69.07064	5.7
71.04978	1.7
79.05486	4.3
79.10381	0.3
81.07039	10.9
83.04964	0.7
83.08594	1.5
83.60139	0.3
85.06519	1.8
91.05457	7.4
92.09276	0.8
93.07027	15.7
95.04946	3.2
95.08588	10.9
97.06490	2.0
99.04411	0.8
103.05451	33.1
105.07019	14.6
107.04899	0.4
107.08579	13.0
109.06507	3.0
109.10137	5.8
111.08089	1.4
117.07020	3.6
119.08567	15.6
121.06479	1.4
121.10121	11.6
123.08051	0.8
123.11666	3.0
129.06969	0.8
130.07753	0.6
131.04907	100.0
131.08549	4.4
133.10104	9.5
135.08029	2.4
135.11679	5.0
137.05966	3.1
137.09587	1.5
143.08556	2.2
144.09315	0.4
145.10078	5.4
147.08005	0.7
147.11684	4.8
149.09613	0.7
149.13245	5.4
151.07561	0.4
151.11180	0.6
152.08369	0.9
155.08569	0.5
157.10077	2.7
159.11679	3.9
161.09615	0.9
161.13190	3.6
163.11163	0.6
169.10121	0.5
171.11664	2.1
173.13263	2.2
175.11214	0.6
175.14783	5.1
177.12744	1.3
177.16481	0.4
181.12167	1.4
183.11691	0.5
185.13287	1.5
187.14830	0.8
189.12712	0.5
189.16383	1.7
193.15842	2.9
197.13326	0.4
199.14786	0.8
201.12625	0.4
201.16295	0.6
203.17931	2.2
205.19502	2.3
210.12524	0.4
213.16412	0.5
217.15800	3.9
219.17407	2.4
221.18919	1.6
223.14909	0.5
235.16927	4.3
267.20944	0.4
325.25125	0.6
335.27274	1.7
353.28366	5.9
371.29453	3.5
414.28622	0.4
483.32266	0.6
501.33536	21.6
519.34991	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	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.1
55.05504	9.5
55.76350	0.8
57.03428	12.5
59.04976	3.3
61.02895	3.3
61.16592	0.9
61.64877	0.7
67.05475	6.1
69.03410	17.6
69.07046	5.1
70.74554	0.8
71.01355	1.1
71.04971	3.1
73.02897	13.3
73.27275	0.8
77.51032	0.7
79.05470	5.6
81.03397	1.5
81.07037	6.0
83.04964	7.2
83.08593	1.1
84.35227	0.8
85.02885	21.6
85.06513	1.4
85.61217	0.7
87.04432	0.9
91.05455	7.9
93.07023	12.7
95.04957	3.2
95.08582	8.7
97.02869	17.2
97.06508	7.7
98.78045	1.0
99.04443	1.4
105.06376	1.1
105.07005	26.5
105.07650	1.4
107.08582	28.5
109.02897	1.4
109.06506	9.2
109.10144	10.0
111.08064	0.9
115.03875	7.3
117.07002	4.5
119.08548	44.6
121.06478	7.9
121.10125	13.2
123.08012	5.4
123.11670	1.7
125.09563	0.9
127.03925	6.4
129.06950	3.3
131.08517	8.6
133.04953	5.0
133.06480	1.3
133.10101	12.2
135.08032	4.4
135.11655	4.2
137.05927	1.6
137.09587	1.9
137.13199	1.1
143.08533	5.2
144.09335	1.7
145.04935	4.9
145.10088	13.1
146.10977	1.1
147.08047	7.0
147.11661	19.2
149.09586	12.1
149.13255	6.7
156.09293	13.2
159.11670	25.0
161.09595	1.6
161.13226	22.9
163.05916	1.4
163.11156	5.0
165.12727	1.5
171.11665	14.0
177.12727	12.1
179.14334	1.5
187.07478	0.9
189.12704	28.8
207.13763	100.0
225.14844	5.2
265.24081	0.9
279.89917	0.9
295.10321	1.2
379.00070	1.0
387.76227	0.9
456.71719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.1
55.05504	9.5
55.76350	0.8
57.03428	12.5
59.04976	3.3
61.02895	3.3
61.16592	0.9
61.64877	0.7
67.05475	6.1
69.03410	17.6
69.07046	5.1
70.74554	0.8
71.01355	1.1
71.04971	3.1
73.02897	13.3
73.27275	0.8
77.51032	0.7
79.05470	5.6
81.03397	1.5
81.07037	6.0
83.04964	7.2
83.08593	1.1
84.35227	0.8
85.02885	21.6
85.06513	1.4
85.61217	0.7
87.04432	0.9
91.05455	7.9
93.07023	12.7
95.04957	3.2
95.08582	8.7
97.02869	17.2
97.06508	7.7
98.78045	1.0
99.04443	1.4
105.06376	1.1
105.07005	26.5
105.07650	1.4
107.08582	28.5
109.02897	1.4
109.06506	9.2
109.10144	10.0
111.08064	0.9
115.03875	7.3
117.07002	4.5
119.08548	44.6
121.06478	7.9
121.10125	13.2
123.08012	5.4
123.11670	1.7
125.09563	0.9
127.03925	6.4
129.06950	3.3
131.08517	8.6
133.04953	5.0
133.06480	1.3
133.10101	12.2
135.08032	4.4
135.11655	4.2
137.05927	1.6
137.09587	1.9
137.13199	1.1
143.08533	5.2
144.09335	1.7
145.04935	4.9
145.10088	13.1
146.10977	1.1
147.08047	7.0
147.11661	19.2
149.09586	12.1
149.13255	6.7
156.09293	13.2
159.11670	25.0
161.09595	1.6
161.13226	22.9
163.05916	1.4
163.11156	5.0
165.12727	1.5
171.11665	14.0
177.12727	12.1
179.14334	1.5
187.07478	0.9
189.12704	28.8
207.13763	100.0
225.14844	5.2
265.24081	0.9
279.89917	0.9
295.10321	1.2
379.00070	1.0
387.76227	0.9
456.71719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05504	8.9
57.03426	8.5
61.02911	2.0
67.05486	7.2
69.03410	16.1
69.07044	1.8
71.04967	2.2
73.02901	7.6
79.05482	6.9
81.07059	6.7
83.04966	1.7
84.85789	1.2
85.02889	33.2
85.06535	8.6
90.29540	1.2
91.05447	19.1
93.07035	9.6
95.04954	2.8
95.08604	6.8
97.02854	16.3
97.06560	1.6
99.04441	1.7
103.05430	2.5
105.07012	68.3
107.08591	20.7
109.02853	2.4
109.06511	15.7
109.10159	1.5
115.03933	7.1
115.05392	1.4
117.07016	8.6
119.08566	73.7
119.30283	1.2
121.10130	16.5
123.08062	13.4
123.11703	6.9
127.03902	6.7
130.07768	2.0
131.08557	15.9
132.09311	1.5
133.04988	9.0
133.06454	5.5
133.10071	2.0
137.09605	8.8
145.04988	8.7
145.10110	20.2
147.08052	2.8
147.11665	79.7
149.09639	11.1
151.07501	4.5
156.09290	9.0
159.08076	1.5
161.13203	2.3
163.06026	8.0
163.11182	9.3
165.12727	3.0
171.11668	5.4
174.10335	5.4
189.12714	58.1
199.36292	1.3
207.13763	100.0
211.40027	1.6
225.15019	2.0
254.32608	1.3
257.37253	1.4
259.08087	5.0
295.10141	6.3
339.18005	9.1
369.19113	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.8
54.01553	0.8
55.01865	1.4
55.05505	16.8
57.03427	1.2
57.07069	7.7
58.98648	0.7
59.04976	1.8
59.90217	0.6
67.05494	21.0
69.03410	4.3
69.07054	43.0
71.04967	4.2
79.05477	16.8
81.07040	100.0
83.04963	7.1
83.08596	14.0
85.02888	5.0
85.06522	16.0
86.13389	0.8
91.05457	10.6
93.07024	43.1
95.04947	4.7
95.08585	65.1
97.02883	0.9
97.06519	6.4
97.10142	5.8
99.04430	4.2
99.08068	6.7
100.03271	0.7
101.06026	1.1
105.07014	27.4
106.47456	0.8
106.93359	0.8
107.08577	35.6
109.06505	11.2
109.10143	35.3
111.08059	4.2
111.11684	4.6
115.07537	0.9
117.07003	1.5
119.08570	19.0
121.06465	1.3
121.10124	26.7
123.08046	9.7
123.10789	1.3
123.11687	23.8
125.09607	2.1
126.02215	0.9
127.07516	7.8
127.11058	0.8
129.06981	0.8
131.08566	4.5
133.10110	17.5
135.07999	3.6
135.11658	26.9
137.09592	1.0
137.13226	15.6
139.07472	1.0
139.11148	3.2
142.07753	1.4
143.08578	1.2
145.10092	8.3
147.04424	3.3
147.11661	28.3
149.09621	2.0
149.13235	20.9
151.03862	1.5
151.11156	11.1
151.14758	1.8
153.09132	1.0
153.12737	5.2
157.10130	2.0
159.11726	6.9
161.13228	9.1
163.11139	3.6
163.14828	5.4
165.12723	11.5
169.12189	1.1
171.11586	1.7
173.13297	3.3
175.11208	1.8
175.14757	1.7
177.12654	6.5
177.16359	3.4
179.17892	1.1
181.12202	3.4
183.13783	1.4
187.14743	1.4
189.12735	1.1
189.16313	1.1
189.50325	0.8
191.14307	1.7
191.17909	0.9
193.12210	5.2
195.13791	13.8
203.17984	2.0
205.19417	1.1
207.13882	2.0
213.14865	4.2
229.14362	5.6
249.18460	1.0
263.20004	1.5
283.24097	1.4
301.25223	5.5
319.22598	1.8
319.26285	40.1
325.72665	0.9
337.27328	36.0
355.28366	17.6
373.29440	7.7
452.51779	1.0
535.28583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40042	1.8
53.97117	2.0
55.05511	19.5
56.80098	2.1
57.07060	11.0
67.05491	25.4
69.03421	2.6
69.07051	42.2
70.55221	2.8
71.04990	4.9
71.08622	2.0
77.15097	1.9
79.05484	15.5
81.07035	100.0
83.04962	2.7
83.08608	22.8
85.02876	3.1
85.06508	17.6
91.05467	12.3
93.07032	46.7
95.04940	12.3
95.08588	68.7
97.02894	2.2
97.06524	8.4
97.10144	4.9
99.04453	15.8
99.08127	2.2
101.05984	2.2
105.07022	28.1
107.04903	1.8
107.08581	54.1
109.06506	22.6
109.10139	40.4
111.08041	4.8
111.11728	3.4
117.05509	2.2
119.08545	22.5
121.06453	2.3
121.10126	35.4
123.08079	10.1
123.11671	32.0
124.89622	2.4
125.09562	2.3
127.07543	9.5
131.08549	8.3
131.91843	1.9
133.10103	25.3
135.11682	30.4
137.09570	4.2
137.13231	9.4
143.08539	3.6
144.80153	2.0
145.10187	4.0
147.11684	36.1
149.09700	3.1
149.13252	25.2
151.11163	40.2
151.14763	2.8
159.11690	8.7
160.59564	2.5
161.09508	2.7
161.13222	4.2
163.11197	3.8
165.12724	16.2
167.10728	2.6
171.11690	2.6
175.11217	2.8
177.12746	5.2
179.14435	2.1
181.12221	3.7
193.12247	10.1
195.13776	4.8
207.13879	4.4
250.74020	2.2
283.24268	2.5
301.25342	4.1
319.26199	38.9
337.27325	77.6
355.28329	14.1
373.29364	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	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.3
53.03940	2.0
55.01859	2.1
55.05504	25.9
57.03431	8.3
57.07073	10.2
61.02914	9.1
64.38087	0.8
65.03918	2.0
66.56441	0.9
67.05492	79.7
69.03413	4.5
69.06717	1.7
69.07054	32.1
71.04968	5.6
71.08606	4.4
73.02878	1.3
73.88915	1.0
75.04472	0.9
79.05047	1.7
79.05473	29.9
81.03374	1.5
81.07038	100.0
83.04962	4.3
83.08595	21.0
83.24553	1.0
85.02889	4.1
85.06530	2.4
85.10175	1.2
85.64581	1.1
86.09693	1.5
91.03915	1.4
91.05457	26.4
93.07022	35.0
95.04935	7.1
95.08584	76.5
97.02861	2.1
97.06514	9.1
97.10155	9.3
99.04453	1.4
99.08075	2.2
104.10700	1.3
105.07008	28.2
107.04916	2.1
107.08564	26.5
109.06510	7.4
109.09395	1.2
109.10143	36.2
111.08055	2.0
111.11698	2.4
113.09633	1.6
117.07005	2.6
119.08573	23.3
121.06467	4.4
121.10107	19.5
123.08046	4.8
123.11678	16.9
125.09595	1.7
128.06180	1.4
129.05389	1.3
129.06982	2.4
131.04912	4.8
131.08543	10.1
133.10120	17.8
135.08017	1.5
135.11679	13.7
135.80766	1.1
137.09579	2.2
137.13240	6.3
142.07768	4.3
143.08528	6.0
145.10097	16.6
147.08099	1.4
147.11691	12.8
149.13281	7.6
151.11127	1.8
151.14798	1.9
155.08565	1.3
155.14287	1.7
156.09332	1.5
157.10075	12.1
158.36307	1.1
159.08009	5.0
159.11661	4.6
161.09592	6.1
161.13248	11.2
163.11078	2.4
163.14825	5.6
165.16385	2.3
170.10770	1.1
171.11722	2.2
173.09624	4.8
173.13338	1.5
175.14813	8.6
179.17926	4.6
189.12723	1.6
189.16299	4.6
199.14781	4.6
201.16278	1.3
203.17914	1.3
215.14352	2.1
217.15916	1.2
231.13777	2.0
233.15294	2.0
245.22594	33.0
249.14867	4.3
263.23639	44.9
282.20724	1.2
337.27322	35.4
355.28461	3.8
499.31573	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	534.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.20540	0.4
55.01859	2.3
55.05506	3.5
56.96555	0.7
57.03428	5.7
57.04210	0.4
57.07059	1.1
59.04963	0.5
60.44999	0.5
61.02903	2.1
67.05500	4.6
69.03416	6.4
69.07058	7.0
71.01336	0.8
71.04965	1.1
73.02900	9.3
79.05473	5.7
81.03408	1.0
81.06599	0.9
81.07040	17.8
83.04948	0.6
83.08599	0.8
85.02888	21.1
87.04438	0.8
91.03965	0.5
91.05453	3.7
93.07023	27.8
95.04960	0.9
95.08588	14.4
97.02876	11.4
97.06525	0.7
97.10147	2.3
99.04468	0.5
103.03938	0.8
105.03363	0.5
105.07008	4.0
106.07327	1.0
107.08575	20.6
109.02881	1.1
109.06501	0.7
109.10152	14.7
115.03928	4.1
117.06984	0.8
119.08559	3.1
121.10128	14.6
123.11682	32.7
127.03918	4.3
131.08539	1.0
133.04958	7.3
133.10117	1.9
135.11679	17.3
144.06528	0.5
145.04948	6.3
145.10057	0.9
147.11684	1.9
148.11948	0.6
149.13240	100.0
150.13632	0.5
163.05989	3.5
163.14848	2.4
204.18265	0.8
205.19489	34.4
223.05957	0.6
241.07082	0.8
259.08084	3.4
277.09198	0.7
295.10199	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	534.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
60.45265	0.2
67.05498	0.2
67.50335	0.3
77.67903	0.2
77.87856	0.2
79.05466	4.7
81.07031	0.5
85.02889	0.4
89.30357	0.2
91.05457	4.1
92.09269	0.3
94.04170	2.0
95.04936	1.7
95.08550	0.3
103.05439	1.0
105.06984	1.5
107.04936	7.0
109.06504	0.5
111.04426	0.6
119.04908	6.9
121.06494	4.2
122.03621	6.8
123.04372	0.3
123.08033	0.3
124.05250	0.3
125.05954	1.1
130.04109	0.3
131.04890	1.7
133.02818	0.5
133.06454	1.1
134.03607	1.0
135.04384	5.4
137.05952	100.0
138.06238	0.3
141.06950	0.5
145.06529	0.3
147.04390	9.2
147.05469	0.5
149.05963	7.8
150.06696	2.0
151.07501	2.6
153.05827	0.3
153.06970	2.9
155.08556	1.3
161.05948	3.9
162.06725	2.0
163.07538	0.5
165.06953	6.5
166.07779	0.3
167.07019	5.0
168.05591	0.3
175.07497	0.4
179.07027	3.1
179.08464	0.4
181.06445	3.6
182.07275	1.3
183.07991	4.8
191.07014	0.4
193.06339	1.9
194.07272	1.9
195.07996	0.5
196.05206	0.5
197.05949	0.3
198.06718	0.4
205.06406	0.9
209.05766	0.4
209.09486	0.4
210.06740	1.1
211.07512	6.4
213.09055	2.5
221.05948	3.1
222.06726	1.3
225.09000	2.3
228.07819	1.0
237.09109	1.7
239.06972	1.3
241.08519	1.5
242.09286	0.4
243.10092	0.5
250.06226	0.3
251.07103	0.4
252.08110	0.3
253.08626	2.2
265.08539	4.5
266.09308	0.3
267.10123	1.7
271.09589	23.9
273.11148	2.4
277.08624	0.5
282.08878	1.0
283.09552	1.1
285.11124	5.7
297.11194	6.0
309.11090	1.3
315.12234	7.4
327.12350	0.5
421.16504	0.3
433.16476	0.6
449.15836	0.3
451.17456	0.6
463.17654	1.0
488.31790	0.3
534.21332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01626	0.9
55.01868	13.0
55.05497	3.9
57.03179	1.1
57.03433	20.4
57.07072	1.2
59.04980	1.5
61.02918	10.6
65.86414	0.7
67.05496	10.3
69.03074	1.5
69.03421	27.7
69.07057	10.6
71.01321	5.0
71.04967	1.4
73.02906	28.7
79.05473	6.3
81.03381	4.9
81.07044	22.7
83.08598	2.0
85.02893	100.0
87.04448	6.8
91.03943	2.0
91.05466	3.8
93.07024	15.8
93.97456	0.8
94.06927	0.8
95.04929	1.1
95.08592	51.5
95.09203	1.8
97.02263	1.5
97.02872	45.1
97.10145	5.6
98.06005	0.9
99.04433	4.5
103.03912	4.5
103.05476	6.1
105.07014	3.9
107.07955	1.2
107.08594	19.2
109.02890	7.8
109.09386	1.1
109.10144	27.1
115.03925	21.1
119.08523	1.4
121.10111	14.6
121.11774	0.7
123.11691	19.7
125.13219	1.3
127.02959	1.1
127.03902	24.5
131.04912	10.5
133.04956	29.3
135.11678	14.6
138.05478	4.4
144.06436	0.9
145.04941	25.1
147.11674	1.3
149.12123	0.9
149.13240	22.7
150.07640	1.1
163.05995	20.2
163.14774	1.4
191.33766	0.8
203.17928	1.9
204.18333	1.3
205.19495	35.0
217.07129	1.1
223.06052	2.0
241.07045	4.3
259.08069	12.7
277.09192	3.3
286.54904	0.7
295.10181	9.3
311.74445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
67.05480	5.4
68.10144	1.2
69.07039	2.3
71.79884	1.1
75.51151	1.5
79.05479	6.0
81.07034	9.8
83.04959	1.5
91.05461	7.3
93.07019	11.6
95.04945	5.3
95.08588	6.7
97.02762	1.4
97.06532	1.6
103.05460	5.5
103.08097	1.2
105.07003	12.1
107.08577	7.4
109.06484	2.1
109.10171	2.2
115.05475	1.6
117.06959	2.5
119.08548	9.0
121.06493	5.5
121.10129	4.7
123.08042	1.8
129.06979	1.7
131.04919	10.9
131.08557	7.6
133.10141	6.6
135.08025	2.3
135.11708	1.4
143.08505	2.7
145.10156	11.8
146.10515	1.5
147.07942	2.3
147.11693	2.7
149.09604	1.7
157.10144	2.7
159.08040	2.0
159.11679	2.8
161.09685	2.2
173.09637	1.4
175.14830	1.9
199.14870	2.2
217.15742	1.3
249.46277	1.4
284.00571	1.6
288.78830	1.3
325.21313	53.4
343.48135	1.3
473.26590	100.0
474.26550	1.6
533.28632	89.6
534.28821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
54.16925	0.2
55.01851	0.4
55.70385	0.2
57.03413	0.2
62.98558	0.2
65.03927	0.3
67.11179	0.2
69.03413	0.4
71.04952	0.3
73.02881	0.2
74.66036	0.2
79.05468	3.5
81.07030	0.8
85.02888	0.5
91.05469	3.7
93.07020	0.3
93.68182	0.2
94.04175	2.1
95.04947	1.2
97.02853	0.5
98.97575	0.2
99.78858	0.2
103.05463	0.5
105.07018	1.0
107.04942	4.2
109.06517	0.4
111.04449	0.3
115.05354	0.2
118.11853	0.2
119.04920	5.7
121.06477	2.9
122.03621	6.1
123.04396	0.5
125.05990	0.3
131.04913	1.4
133.06454	1.3
134.03635	0.5
135.04401	3.6
135.08069	0.2
137.05957	100.0
138.06241	0.3
145.06506	0.3
147.04390	7.5
149.05966	7.3
150.06738	1.4
151.07495	2.2
153.05450	0.3
153.06969	2.3
155.08543	0.4
161.05949	2.7
162.06755	1.2
163.07556	0.9
165.06941	3.7
167.07010	2.6
168.05652	0.3
177.06825	0.3
179.07016	2.5
181.06464	2.7
182.07253	0.4
183.07996	2.2
193.06461	1.5
194.07245	1.0
195.08060	0.5
196.05174	0.4
205.06528	0.5
207.04372	0.3
209.05949	0.4
209.09639	0.3
210.06738	1.2
211.07558	2.3
213.09079	1.7
216.24629	0.2
221.05969	2.4
222.06696	1.1
223.07640	0.5
224.08348	0.4
225.09196	1.6
233.15585	0.2
236.08250	0.3
237.09055	1.4
239.06973	1.3
241.08615	1.3
242.09268	0.3
251.06932	0.3
253.08551	2.2
255.10078	0.4
265.08466	2.9
267.10141	0.9
271.09598	14.0
273.11206	2.1
282.08810	0.4
283.09595	0.5
285.11200	3.6
295.30557	0.2
297.11215	3.7
309.11145	0.5
309.40619	0.2
315.12250	5.9
327.12283	0.5
360.40009	0.2
391.35413	0.3
433.16266	0.5
463.17343	0.3
517.77972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13271	1.8
53.03949	3.8
55.01872	2.4
55.05500	12.4
57.07052	3.2
67.05503	22.8
69.07055	17.5
70.06585	2.7
74.09707	2.5
79.05463	30.7
81.07041	27.7
83.08605	3.0
91.05469	42.5
93.07027	100.0
95.04944	14.3
95.08575	13.0
97.06503	7.9
105.07024	21.6
107.04951	8.6
107.08582	84.0
108.14993	2.0
109.06499	4.6
109.10165	16.9
115.05447	9.0
117.07026	4.0
119.04940	3.0
119.08577	16.9
119.12624	2.0
120.09356	2.2
121.06497	4.4
121.10118	4.8
131.08527	4.9
133.06476	5.5
133.10123	10.9
135.08012	3.8
135.11668	62.5
137.09561	2.6
145.10114	24.4
147.08043	8.7
154.06229	4.0
157.10081	4.1
161.09581	4.7
163.07484	4.6
175.07616	8.1
179.06937	2.5
180.07808	3.0
194.09268	8.8
195.10098	3.6
201.16370	5.0
203.17906	2.5
207.10164	22.5
520.30365	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	533.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73765	0.4
54.21429	0.4
57.00424	0.4
58.68641	0.4
70.06577	0.5
70.61163	0.4
85.02892	0.9
89.78246	0.4
91.05470	0.6
93.07038	0.6
95.01077	0.9
95.08630	0.4
104.59807	0.4
105.06993	0.5
107.04948	1.0
109.42401	0.5
109.51760	0.4
111.13156	0.4
113.02122	2.7
121.06616	0.5
121.10158	0.6
127.03631	0.7
133.06471	0.8
137.02107	0.5
137.05928	0.5
155.03128	8.3
159.04211	0.5
171.02687	2.0
173.04271	0.5
184.86536	0.4
189.05241	2.1
201.36513	0.5
203.06805	0.7
204.07562	9.4
249.26971	0.6
289.14285	0.5
335.11069	0.7
401.15860	0.8
533.19830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.8
57.03429	6.6
57.07074	2.9
57.12261	2.3
60.15554	2.1
61.02904	4.4
67.05495	99.5
69.07056	15.1
70.33844	2.4
79.05473	54.1
81.07041	100.0
82.62705	2.7
83.08623	4.8
85.02887	3.3
91.05464	30.5
93.06487	3.7
93.07027	60.8
95.08579	68.2
97.02900	2.8
105.07028	22.0
107.08577	53.5
109.10133	31.3
117.06992	13.1
119.08561	20.5
121.10129	37.7
123.11665	12.8
123.20328	2.5
131.08539	19.7
133.10088	12.4
135.11684	29.2
137.13245	5.5
141.79948	3.0
142.26096	2.6
145.10092	16.1
147.11662	6.3
149.13237	19.5
150.21576	2.8
159.11639	15.7
161.13219	6.2
163.14806	13.8
173.13243	12.6
177.16347	4.4
187.14804	5.3
194.89397	2.8
243.21002	14.7
250.28615	2.8
261.22110	71.1
335.25797	22.7
353.26816	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69959	0.6
53.00300	1.1
53.03931	1.7
53.40945	0.6
54.81505	0.7
55.01858	0.8
55.05501	20.0
57.03419	8.1
57.07060	5.8
59.43710	0.7
60.11873	0.7
61.02911	8.9
63.50740	0.7
65.03912	3.7
67.05491	98.2
69.03420	4.2
69.07057	20.5
71.04982	3.3
71.08627	1.2
73.02909	1.6
75.04461	0.9
76.36917	0.8
78.25333	0.8
79.05473	66.6
81.03399	4.2
81.07037	100.0
83.04979	1.7
83.08601	12.3
85.02889	12.1
85.06548	3.8
89.27320	0.7
91.03944	4.3
91.05457	37.7
91.06003	1.5
93.07023	87.9
95.04950	8.6
95.08585	73.6
96.68586	0.8
97.02881	5.3
97.06522	4.0
97.10151	3.2
99.04437	1.3
99.08068	3.1
105.07010	32.1
107.08575	58.3
109.02863	0.8
109.06522	3.4
109.10143	39.3
111.08054	3.1
113.09636	1.3
117.07002	13.3
119.08557	24.7
121.06443	1.2
121.10123	43.9
123.08054	3.5
123.11675	14.8
125.09591	1.9
129.06972	1.9
131.08537	30.2
133.10106	21.0
135.08051	0.9
135.11668	35.0
135.12672	1.4
137.09512	1.4
137.13217	6.8
143.08546	3.1
145.10100	22.2
147.11668	14.9
149.13232	20.1
151.11198	1.1
151.14775	1.2
157.10173	1.1
159.11670	17.9
161.13211	13.2
163.11137	1.0
163.14801	11.3
164.51712	0.8
165.12683	1.3
171.11572	0.8
173.13220	16.8
175.14813	4.5
177.12708	1.5
177.16405	3.6
179.14328	1.4
185.13300	1.2
187.14809	9.6
201.16393	4.4
205.15778	1.0
213.12871	0.9
215.17923	0.9
219.17395	1.1
233.22630	1.1
243.21025	25.6
261.22070	77.4
263.23764	1.0
279.23251	1.3
303.23102	1.2
335.25742	11.3
353.26776	30.8
369.24048	1.8
387.25592	1.1
405.26337	4.1
423.27219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96554	0.4
57.03428	1.4
57.07058	0.3
58.79848	0.4
60.18284	0.3
67.05477	0.6
69.03410	2.2
69.07050	0.9
71.04974	0.5
73.02893	1.8
74.06422	0.4
79.05463	0.7
81.03375	0.5
81.07045	2.4
83.04961	0.3
83.08592	1.7
85.02898	3.2
85.06503	0.9
91.05473	1.5
92.09364	0.7
93.07029	2.5
95.04973	0.6
95.08588	1.6
97.02875	2.2
105.07027	3.5
107.04836	0.5
107.08575	2.2
109.10159	1.7
117.06999	0.6
119.08552	1.9
119.33887	0.4
121.10145	0.5
123.11697	0.4
127.03940	0.5
128.97409	0.3
130.07806	0.4
131.08519	1.7
132.08942	0.4
133.10101	0.6
143.08585	0.5
145.10109	10.2
146.10455	4.3
150.52959	0.4
157.10129	0.6
159.11676	1.4
160.11978	0.6
161.09615	0.6
169.10074	0.5
177.08859	2.4
201.16409	3.3
202.16647	3.1
203.14285	0.8
272.12994	0.3
277.17700	100.0
278.18048	1.5
313.13150	0.4
531.21747	3.9
531.34814	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89119	0.1
76.56017	0.1
76.77140	0.1
77.75927	0.1
93.07043	0.2
99.32770	0.1
107.08564	0.2
116.94948	0.1
177.08833	5.3
259.16592	1.0
276.55441	0.2
277.17706	100.0
278.18161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82184	0.3
54.81673	0.3
55.05499	0.5
58.65374	0.3
63.28296	0.3
69.03405	0.5
69.07042	1.7
69.42665	0.3
70.69392	0.5
74.63826	0.3
75.71309	0.4
79.05453	0.6
81.07027	2.1
83.04932	0.4
85.02833	0.4
91.05449	0.5
93.07017	2.1
94.07321	0.4
95.08559	1.6
102.89355	0.4
105.07015	1.8
107.08568	1.8
109.06449	0.6
109.10137	1.6
119.08537	0.9
121.10113	0.9
133.10135	0.7
135.08037	0.4
145.10040	0.9
159.08029	0.4
159.11638	0.7
201.16370	0.6
219.17369	0.6
277.17694	100.0
531.35065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
56.96548	1.4
58.56100	0.6
67.05483	1.2
69.03400	0.9
74.73425	0.7
79.05475	1.5
81.07028	3.6
91.05451	3.4
92.64192	0.6
93.07007	4.6
95.04942	1.5
95.08571	1.1
99.45841	0.7
105.07009	1.6
107.08553	1.4
109.06451	0.9
119.08569	1.1
131.04939	0.8
131.08548	0.9
143.08618	0.7
145.10156	0.8
155.59267	0.8
177.08853	4.8
185.33156	0.8
199.82828	0.7
221.93532	0.7
277.17694	100.0
494.41455	0.9
531.35498	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67775	0.8
53.03926	5.1
55.01849	5.8
55.05505	29.9
56.96557	1.9
57.03426	28.7
59.04987	1.4
60.98688	1.0
65.03905	1.2
67.05145	1.9
67.05489	45.8
68.40181	1.0
68.97021	1.0
69.03403	8.6
69.07051	12.2
71.04977	11.5
79.05470	51.1
81.03398	100.0
81.07037	57.9
81.76741	1.0
83.04964	36.5
83.08609	30.3
85.02885	46.2
85.06520	4.8
91.05460	64.9
93.06487	2.3
93.07020	35.5
95.04945	41.1
95.08583	24.4
97.02891	2.1
97.06490	10.2
97.10141	7.0
99.04420	1.8
99.08061	2.1
105.07009	53.4
107.04926	14.7
107.08556	19.3
109.06487	12.9
109.10149	7.0
111.04441	2.6
111.08046	13.2
113.05951	4.6
115.05420	2.9
117.06972	2.1
119.08550	41.6
121.06454	5.3
121.10130	17.4
123.08022	7.1
123.11689	2.0
125.06020	1.3
129.06985	16.4
131.08543	22.4
133.06487	8.6
133.10098	24.1
135.11618	2.2
137.05963	1.4
137.09573	2.2
142.07747	5.7
145.10043	5.9
147.08026	8.0
147.11649	22.5
149.09619	12.6
157.10091	20.7
163.11099	1.5
165.12769	1.7
175.11113	19.4
188.50508	1.2
193.08589	2.3
193.12212	55.0
201.16370	1.5
211.09813	2.1
211.13246	62.9
249.14565	1.9
267.15866	21.3
275.16104	2.2
276.16415	1.3
277.17719	7.7
278.17969	2.0
285.16913	72.8
367.22736	1.5
459.27151	7.7
477.28461	13.1
495.29456	34.2
556.23596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.51718	0.2
65.03918	0.9
65.14941	0.2
65.47813	0.2
67.01839	0.2
67.05486	0.4
69.03403	1.1
69.07774	0.2
69.08815	0.2
69.12464	0.2
72.06790	0.2
73.60329	0.2
78.69824	0.2
79.05473	0.2
83.04959	4.2
85.02871	0.9
91.05457	7.3
92.08720	0.2
93.03379	0.9
95.01330	0.3
95.04940	1.6
97.02896	0.3
100.63610	0.1
105.07038	0.4
106.39456	0.2
107.04280	0.3
107.04938	3.7
111.04440	3.1
119.04919	27.2
121.02842	1.4
125.35728	0.2
129.05457	0.8
131.04916	1.4
133.06474	4.6
139.03932	1.6
145.06485	0.8
147.04387	100.0
149.06017	0.4
153.05418	0.3
157.04907	0.8
157.06415	0.2
159.04376	4.5
161.05963	1.5
163.03845	0.2
165.05524	0.4
165.06976	1.1
169.06499	0.2
171.07915	0.2
173.05933	0.3
177.05470	1.4
177.06891	0.3
181.06569	0.3
183.08020	1.8
189.05420	1.9
193.06534	0.4
195.07997	0.9
197.05995	0.6
201.05447	1.0
203.06984	0.3
211.07491	2.5
213.09174	0.2
215.07050	0.2
219.06551	1.2
221.05952	0.4
223.07458	0.7
225.05495	0.4
229.08606	0.2
239.07031	2.1
249.05374	0.7
257.08215	0.7
267.06400	1.2
275.09137	0.3
285.07544	1.2
295.07999	0.2
303.08563	5.3
321.09656	4.0
326.63327	0.2
339.10736	0.4
406.52344	0.2
439.78229	0.2
458.36618	0.2
459.13144	0.7
477.13797	6.0
478.50665	0.2
495.14798	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	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
53.85792	0.7
55.01860	5.9
55.05511	14.0
56.96548	1.6
57.03439	9.3
57.07069	2.2
59.04991	1.0
61.02915	1.4
65.03925	1.0
66.28014	0.7
67.05499	24.3
69.03413	4.4
69.07054	18.4
71.04966	4.4
73.51167	1.0
79.05478	20.0
81.03386	1.3
81.07041	36.1
83.04957	9.8
83.08604	3.3
85.02889	2.1
85.06526	1.9
87.16344	0.8
91.03928	1.1
91.05460	23.7
93.07029	31.6
95.04955	15.6
95.08596	19.8
97.02898	1.6
97.06500	6.4
97.10129	1.3
99.04433	1.0
103.05412	0.9
105.06369	1.6
105.07022	32.6
106.07371	1.0
107.04939	8.0
107.08585	19.7
109.06510	12.8
109.10162	6.8
110.10433	1.0
111.08083	2.0
113.14882	0.8
117.06990	8.1
119.08561	21.7
120.08894	1.0
121.06488	14.6
121.10119	15.1
123.08053	6.1
123.11650	1.7
125.09616	1.0
127.07548	1.0
128.06184	1.3
129.06992	3.3
130.07845	1.1
131.08546	19.6
133.06453	3.9
133.10112	20.5
135.08066	7.9
135.11678	6.1
137.09616	2.1
143.08527	5.7
145.06448	1.2
145.10107	17.8
147.08070	5.8
147.11674	11.7
149.09602	7.8
149.13225	4.8
151.11185	5.1
155.08559	1.7
157.10133	4.2
159.08058	2.2
159.11688	9.2
161.09583	4.8
161.13287	3.5
163.11191	7.8
169.10075	1.1
171.11571	3.1
173.09633	4.2
173.13226	5.9
175.11160	3.8
177.12726	2.1
183.11751	1.4
185.13300	1.5
187.11159	2.0
189.12698	1.3
191.14212	3.1
197.13159	1.3
199.14848	1.2
201.12746	3.7
207.13776	1.5
219.13808	1.6
219.17006	1.0
229.19591	1.3
239.17879	1.2
247.20592	4.1
257.15112	1.4
257.19073	6.9
275.16217	5.3
275.20010	52.3
277.17627	9.1
285.84341	0.9
293.17529	1.4
293.21097	6.2
314.79987	1.1
327.99680	0.9
339.86746	1.0
349.23685	100.0
367.24646	3.7
387.13260	0.9
529.35248	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	529.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90874	4.0
59.40818	4.9
69.07029	4.3
76.56200	4.4
81.07066	4.5
81.47903	4.7
93.07043	6.8
105.07006	7.8
119.08523	6.0
133.10104	7.5
157.83949	4.8
165.08853	7.0
177.08893	6.9
191.47112	5.1
214.70828	5.1
217.12048	6.2
217.15831	5.7
245.12862	5.0
259.16718	81.9
261.14594	100.0
268.27835	5.7
275.13943	23.0
275.16373	10.4
277.17523	6.8
279.51041	4.8
293.17422	9.3
483.33908	4.9
529.33960	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	529.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88288	4.2
55.84625	4.8
55.96646	4.0
61.64693	4.3
66.37644	4.1
66.45718	4.6
73.23699	4.5
76.56699	4.5
83.58606	4.5
90.94512	4.4
91.05454	8.2
108.43964	4.5
123.17737	5.2
123.91994	4.8
131.08510	6.4
137.88152	4.2
157.29115	5.1
176.71869	5.8
177.08839	19.1
177.26970	4.9
189.76018	5.1
203.10413	5.5
217.11983	100.0
231.11485	7.6
232.12170	11.7
233.09268	8.8
245.15207	6.2
256.26331	5.9
259.16571	26.1
261.14606	47.3
275.13821	12.2
275.16406	8.7
276.14719	5.9
293.17166	10.7
343.22189	5.7
505.51276	6.3
528.32800	5.5
529.33905	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.35
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
51.35466	1.7
51.47369	2.0
56.08737	1.7
57.65682	1.7
75.63824	2.4
79.05457	2.0
81.07037	4.3
89.38840	1.9
93.03210	2.7
93.07008	5.1
95.04922	2.1
95.99461	2.4
107.04742	3.6
107.08556	3.2
109.84197	2.2
128.21921	2.4
149.13297	3.0
174.22136	2.4
176.58183	2.4
177.08864	11.5
193.08424	2.9
205.08380	2.2
205.11954	9.3
215.14023	19.8
217.11966	3.6
217.15573	3.2
219.09885	5.0
219.13586	2.5
233.11502	10.2
233.15117	5.0
243.13542	2.5
245.15117	4.5
259.16611	11.0
261.14578	43.9
275.16174	43.0
276.16840	4.9
277.13992	2.5
277.17719	21.4
285.71887	2.1
293.17184	13.2
309.16779	3.2
347.90677	2.1
413.30569	25.9
427.27994	3.1
459.30557	9.0
483.34341	24.1
497.32523	5.4
511.33783	9.7
528.33612	3.0
529.35175	100.0
534.64087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79432	0.3
53.94280	0.4
55.67896	0.4
57.95199	0.3
70.22676	0.3
71.04993	0.8
74.02419	0.4
77.28113	0.4
77.77114	0.4
78.12614	0.3
88.79752	0.3
105.07009	3.5
115.05452	0.9
117.06980	1.0
117.83091	0.4
118.06518	23.4
122.09670	1.6
127.11127	1.8
130.06491	2.0
132.08064	6.8
142.06502	2.4
143.07306	3.1
144.04454	0.5
144.08070	19.9
145.12154	0.7
146.05995	95.6
147.06360	0.5
159.09158	9.5
160.07520	1.6
170.05977	6.0
188.07040	100.0
189.07411	0.5
205.09695	27.4
329.10333	0.4
478.83527	0.4
529.14954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77438	0.7
53.00307	0.7
53.03933	0.8
53.19700	0.7
55.01869	6.5
55.05507	13.1
57.03429	9.8
57.07064	21.7
58.60340	0.7
59.04988	5.1
59.34205	0.7
61.02910	5.3
67.05499	2.9
69.03414	14.1
69.07053	100.0
71.01356	3.6
71.04974	8.8
71.08617	15.9
73.02899	13.3
73.06540	20.7
79.05482	1.3
81.03401	1.4
81.07039	6.3
83.08609	4.6
85.02886	26.1
85.10157	8.0
86.56976	0.7
87.04460	3.1
89.06011	41.7
91.05449	2.9
93.07050	1.6
95.04947	0.9
95.08574	3.9
97.02869	16.1
97.06540	0.9
99.04453	1.1
105.07004	1.5
107.08568	3.2
109.02866	1.6
111.11700	98.9
115.03889	6.5
119.08550	3.5
121.02817	1.2
123.11654	0.9
127.03907	4.7
129.12733	85.9
131.08551	1.1
133.04951	7.1
133.10124	3.1
137.05969	3.8
145.04965	5.3
151.03943	1.0
151.07536	1.1
199.16908	17.4
203.10628	1.2
204.10957	0.8
217.17958	30.3
275.16257	1.0
384.82303	1.1
517.22156	1.0
529.20166	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	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38345	0.6
53.00291	0.9
53.03929	0.8
55.01875	6.1
55.05264	0.9
55.05506	15.9
57.03428	11.9
57.07067	24.6
59.04999	5.8
61.02911	6.4
67.05478	1.4
68.71236	0.6
69.03413	11.8
69.07057	95.7
71.01331	3.4
71.04977	8.4
71.08618	15.3
71.23148	0.5
73.02905	10.9
73.06538	18.7
78.22814	0.6
79.05469	2.4
81.03393	1.2
81.07024	2.5
83.04980	1.0
83.08598	3.7
85.02895	26.0
85.06538	0.5
85.10172	7.3
87.04455	2.5
89.06016	41.8
91.05437	2.5
93.07021	2.6
94.44746	0.5
95.08579	1.5
96.47196	0.6
97.02876	14.9
97.10137	0.8
99.04421	1.1
103.03947	0.7
105.07022	3.2
107.07028	0.8
107.08587	1.3
108.34211	0.6
109.02849	2.9
109.06495	0.8
109.10140	0.7
111.04446	0.7
111.11705	100.0
115.03909	5.5
119.08544	3.4
121.06465	0.8
121.10098	1.2
127.03929	4.7
129.12737	81.6
131.08569	0.8
133.04980	5.3
133.10095	2.6
137.05942	3.2
138.06314	1.2
143.08626	1.1
145.04936	4.7
145.10115	1.3
151.07504	0.8
157.10130	1.0
159.11678	0.8
163.06097	0.9
165.94020	0.7
170.15538	0.6
199.16904	13.9
217.17964	28.1
275.16187	1.4
529.20264	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	528.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20621	0.6
51.40058	0.6
53.03922	0.8
55.01871	6.7
57.03430	10.0
58.27380	0.6
59.04976	3.1
61.02916	6.2
64.33583	0.6
65.09061	0.7
67.05491	3.5
69.03420	13.6
71.01335	1.7
71.04980	8.5
73.02902	11.4
79.05476	29.3
81.03401	9.1
81.07040	3.8
81.13693	0.7
81.84199	0.7
83.04939	3.1
85.02888	27.9
87.04448	3.4
91.03964	0.7
91.05455	16.2
93.07003	6.0
95.04922	0.9
97.02869	17.6
97.06508	3.9
99.04497	0.9
101.06013	1.3
103.03923	1.5
105.07008	5.5
107.04941	20.0
107.08578	28.0
109.02856	1.4
109.06513	9.7
111.04453	1.0
111.08099	1.4
115.03916	6.5
115.05432	4.3
117.06136	0.9
117.06997	39.1
121.06483	97.3
123.08083	0.8
125.09626	1.2
127.03899	7.0
127.07529	9.7
128.17328	0.7
133.04927	5.3
135.08029	100.0
137.29303	0.7
145.04965	4.5
146.11443	0.7
149.09599	51.3
153.09109	13.9
163.03786	1.1
167.10640	34.9
185.11732	12.2
199.13293	1.2
217.10803	2.4
217.14316	52.8
223.05807	0.8
280.06845	0.9
307.91599	0.7
401.13455	0.8
402.13547	4.0
455.62640	0.8
466.05835	0.8
478.68915	0.8
550.74115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.2
54.81910	1.1
55.01865	5.1
55.05498	12.4
56.96563	1.7
57.03426	10.5
57.06812	1.5
57.07069	23.9
58.22453	1.0
59.04980	5.2
61.02914	5.6
67.05492	5.3
69.03410	16.8
69.07056	95.3
71.04982	9.8
71.08610	15.6
73.02904	11.9
73.06537	19.5
75.15891	1.0
79.05482	4.9
81.03368	1.4
81.07044	9.6
83.04977	1.7
83.08599	5.5
85.02894	24.9
85.10151	5.3
85.81543	1.2
87.98241	1.1
89.06021	39.8
91.05464	8.0
93.07021	11.1
95.04948	5.3
95.08600	7.2
97.02867	14.1
97.06523	1.3
98.97578	1.6
99.04443	2.0
105.07018	7.9
107.08599	5.6
107.45765	1.2
109.02891	1.6
109.06507	2.0
109.10148	5.9
111.11703	100.0
115.03944	2.1
117.06966	1.6
119.08586	6.6
121.06490	44.8
121.07323	2.5
121.10143	2.0
123.11674	2.4
126.89729	1.2
127.03890	6.2
129.12741	70.8
131.04848	1.3
131.08536	2.1
133.10078	2.8
135.11655	1.4
137.05884	1.8
143.08578	1.9
145.04927	3.0
145.10165	2.6
147.08061	1.6
151.07515	1.4
157.10066	1.4
159.11687	1.8
164.21220	1.3
177.09099	1.4
181.04953	1.4
199.16866	14.0
217.17972	26.4
274.66174	1.4
275.16141	97.6
276.16470	44.2
277.17804	1.5
393.40005	1.3
470.33566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61290	1.4
54.81371	1.8
55.01863	1.8
55.73059	1.2
57.03429	12.4
60.95319	1.5
61.02898	2.3
69.03417	3.6
73.02901	26.2
79.05471	1.7
79.86458	1.4
80.07449	1.6
85.02887	6.2
90.82107	1.5
91.05447	13.5
93.64238	1.5
95.04953	2.0
97.02881	2.5
103.05454	24.3
105.07034	6.4
107.04943	28.4
115.03894	3.5
115.05453	2.5
116.95547	1.4
119.04961	14.1
121.06461	6.0
122.03623	3.7
129.06975	2.8
131.04907	39.7
134.03551	2.0
135.08038	8.4
137.05962	100.0
147.04387	13.2
149.05998	11.2
151.07521	29.3
157.06476	2.7
161.05951	41.8
161.09575	9.4
162.06750	3.5
163.07510	65.4
167.08554	2.0
175.07507	16.3
177.05429	6.0
177.09096	22.0
179.07027	6.5
181.08632	2.6
189.09074	29.8
195.08051	3.2
198.19106	1.6
201.54227	1.5
203.06915	1.9
207.10143	27.3
219.10231	6.5
227.10637	6.9
228.72472	1.8
237.09027	2.2
243.85167	1.5
253.08401	2.3
253.12241	2.7
255.10123	3.1
265.08597	2.0
267.09921	1.7
281.11725	1.9
285.11145	2.6
287.12711	9.4
311.12772	17.8
313.14246	9.7
331.15344	33.0
343.15244	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80216	0.7
53.03936	0.8
55.01888	0.9
55.05499	1.6
56.96560	1.5
57.07042	0.8
67.05483	4.0
69.07059	1.3
71.04971	1.0
71.63464	0.7
75.90789	0.7
79.05469	3.9
81.07055	6.7
83.04951	1.5
91.05434	6.1
93.07033	6.7
95.04938	4.1
95.08575	3.6
97.06482	1.3
99.04421	1.0
105.07014	6.5
107.08580	4.8
109.06488	1.5
109.10123	1.8
115.94334	0.7
119.08545	3.4
121.06495	1.0
121.10151	1.6
123.08054	1.2
129.06845	0.9
131.08545	2.0
133.10104	3.1
135.11711	1.1
145.10091	4.6
147.08218	0.7
149.09538	1.1
163.07317	1.2
247.13007	100.0
261.14633	1.0
273.14578	0.9
275.16141	72.0
291.12103	0.9
384.45322	0.9
428.73950	0.9
498.01447	0.9
527.32745	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	527.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03878	0.5
55.01871	0.7
55.05507	2.3
56.82852	0.5
56.96554	0.8
57.07069	0.8
62.96738	0.6
64.04121	0.6
67.05486	2.7
69.03413	1.4
69.07070	2.6
71.04964	0.6
79.05465	2.4
81.07038	7.7
83.08588	0.8
84.96020	0.5
85.02923	1.0
85.06530	0.8
88.02613	0.6
91.05462	3.3
93.07020	6.0
95.04943	0.9
95.08595	4.7
96.08902	0.7
105.07031	3.0
107.08595	2.5
109.06503	1.4
109.10155	2.6
110.84872	0.6
117.07072	0.6
119.08545	3.0
121.10130	0.9
122.27599	0.6
123.08062	0.8
123.11706	1.4
131.08572	1.0
133.06487	0.8
133.10107	1.2
135.08047	0.8
135.11630	0.7
137.05896	2.2
137.09616	1.2
143.08583	0.7
145.10052	0.7
147.11601	0.8
151.43431	0.6
157.10030	1.0
159.11610	0.7
161.09715	0.6
165.82588	0.5
275.16129	100.0
466.96060	0.7
527.31903	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	527.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87275	0.3
55.01876	0.5
55.05511	0.7
56.96546	0.4
57.03402	0.3
57.07054	0.6
62.08506	0.4
62.79847	0.4
67.05489	1.7
69.03426	0.5
69.07055	1.6
71.04979	0.4
79.05457	0.5
81.07042	2.6
83.04919	0.3
83.08592	0.4
85.02895	0.7
86.21610	0.4
91.05455	1.5
93.07037	1.7
95.04948	0.6
95.08577	1.9
97.06519	0.7
103.36260	0.3
105.06996	2.2
107.08595	1.5
109.10142	0.6
110.41645	0.4
117.06979	0.4
119.08576	1.4
121.10111	0.7
123.08060	0.5
123.11663	0.6
125.09620	0.5
133.06432	0.4
133.10144	0.6
135.11632	0.5
137.05942	0.5
145.10107	0.9
147.11710	0.6
151.07605	0.4
157.10136	0.5
175.11171	0.4
210.50612	0.4
225.85487	0.4
227.34128	0.4
275.16125	100.0
276.16519	0.5
390.51614	0.4
466.80661	0.4
527.32373	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	527.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37289	3.9
50.90057	3.7
56.18228	4.2
78.57394	4.5
81.20594	4.7
89.06004	34.0
92.09306	7.4
94.74567	5.1
101.95692	5.7
107.08530	6.7
108.08387	5.2
110.27423	5.2
131.45279	5.3
133.08551	10.2
215.14024	9.1
231.17088	27.8
251.50900	5.9
259.16592	100.0
273.18225	78.8
277.17648	72.7
481.36346	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	527.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26403	3.5
66.00850	4.4
81.07043	4.5
89.06002	21.7
120.53436	4.5
121.10148	4.5
133.08568	8.5
215.14111	22.9
231.17142	24.4
259.16644	100.0
273.18210	69.6
275.16330	6.8
277.17709	52.5
456.27252	4.6
481.36411	48.7
527.36682	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	528.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03429	14.8
61.02899	3.0
62.47968	1.4
69.03412	3.9
71.01365	1.5
73.02901	26.9
79.05461	2.9
81.97451	1.7
83.05435	1.5
85.02888	8.0
91.05457	10.5
92.08664	2.1
93.06996	2.2
94.04148	1.6
97.02891	2.1
103.05444	30.2
105.07023	8.9
107.04935	28.1
115.03918	2.6
115.05429	7.0
117.06978	3.5
119.04914	10.8
121.06503	6.8
122.03634	4.0
129.06921	2.2
130.04045	1.8
131.04919	39.7
133.06476	7.5
135.08008	4.0
137.05957	100.0
145.06465	1.7
145.46938	1.8
147.04388	19.2
148.05325	1.8
149.05981	8.2
151.07535	28.5
161.05951	52.1
161.09592	10.5
162.06685	11.9
163.07520	68.4
163.67003	1.6
174.06859	2.0
175.07480	14.5
177.05476	3.3
177.09033	19.7
179.06998	3.8
181.08572	7.2
189.09067	32.1
191.06984	2.4
195.08022	6.9
203.48851	1.8
207.10109	33.3
219.10074	3.7
221.11723	3.8
227.10628	7.6
253.08719	1.8
253.12010	3.1
255.10043	6.1
265.08530	3.6
267.10049	1.8
285.11127	2.4
287.12680	11.7
311.12653	18.1
313.14261	14.1
325.14105	2.1
331.15302	54.4
343.15143	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	527.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
56.96547	2.9
64.48637	0.6
67.05486	4.4
69.03421	1.0
69.07046	3.0
70.06594	0.7
71.04971	2.8
75.05455	0.6
78.47121	0.6
79.05460	3.9
81.07034	6.4
81.26397	0.8
83.04961	1.7
85.06508	1.1
85.73580	0.7
86.30608	0.7
91.05458	7.0
93.07033	9.5
94.07360	0.8
95.04941	5.5
95.08581	3.9
97.06493	1.3
103.05441	0.8
105.07008	9.5
107.08577	7.2
108.08904	0.9
109.06512	1.6
109.10150	3.8
117.06979	0.9
119.08588	5.0
120.08855	1.1
121.06516	1.2
121.10121	4.6
123.08073	1.3
123.11639	0.8
130.25995	0.8
131.04875	0.9
131.08562	3.5
133.10103	4.0
135.08002	0.9
135.11693	1.0
143.08548	1.3
144.71236	0.7
145.10078	3.7
146.10545	0.8
147.11652	1.4
148.12029	0.9
149.09573	1.5
149.13252	1.1
151.11201	0.8
157.10127	0.9
159.11679	3.2
161.13234	0.7
163.11157	1.3
169.33403	0.7
219.04745	0.9
247.13010	100.0
248.13493	0.9
261.14563	0.8
275.16129	78.4
281.10870	0.7
289.13931	0.8
307.11987	0.9
325.13327	0.9
357.42258	0.7
406.90488	0.8
451.13467	0.9
483.53925	0.8
527.33807	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	527.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01590	2.2
55.46407	2.0
58.55962	2.0
60.57495	1.8
78.73546	2.1
80.02386	3.1
80.02852	2.2
80.20732	2.5
81.07065	2.4
89.06016	11.5
93.07024	5.5
95.08573	3.3
95.43180	2.2
120.56952	2.4
121.10148	3.4
133.06221	10.4
133.08603	3.4
153.22797	2.6
161.09357	5.4
175.07565	2.7
177.08820	15.1
189.08789	10.2
203.10403	100.0
204.11157	5.1
211.10719	2.5
227.14256	3.3
232.10669	11.0
233.11313	3.3
245.15189	3.6
259.16525	9.9
261.14566	11.6
273.14639	4.4
275.16022	16.3
291.15573	5.9
300.63351	2.7
309.16782	3.0
327.20032	3.5
396.10635	2.8
485.29004	3.5
499.30307	3.7
527.33221	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01847	0.7
55.05500	4.6
55.60552	0.3
57.03429	2.9
57.07052	1.3
57.13468	0.3
57.34834	0.2
59.04975	0.5
61.02901	2.1
65.03904	0.4
67.05489	5.8
69.03120	0.4
69.03415	5.7
69.07053	12.3
69.54105	0.4
70.07376	1.7
71.04971	1.7
73.02897	0.7
79.05476	4.1
81.03390	3.1
81.07037	17.6
82.07366	3.0
83.04963	0.5
83.07717	0.4
83.08599	3.9
84.08923	0.3
85.02887	20.5
85.06522	2.1
91.03931	0.5
91.05457	4.1
93.07020	5.9
94.04181	0.7
94.07344	0.5
95.04961	2.4
95.08586	10.8
96.08915	2.0
97.02866	4.9
97.06525	0.7
97.10133	2.0
99.04431	0.6
99.08056	1.6
103.05450	10.2
105.07000	4.5
107.04922	5.2
107.08561	4.6
108.08870	0.8
109.02859	1.3
109.06489	3.8
109.10140	6.4
110.10449	1.4
111.04443	0.7
111.08105	1.6
111.11684	2.6
112.08439	0.3
115.05453	0.4
117.06994	5.5
119.08546	2.5
121.06487	0.6
121.10109	2.8
122.03607	4.2
122.10435	0.6
123.04401	0.6
123.08054	0.4
123.11698	2.9
124.20658	0.3
125.05956	2.5
127.03921	2.8
128.70197	0.4
129.06950	1.4
130.07758	1.8
130.11639	0.3
131.04904	30.4
131.08510	2.8
133.10086	0.6
134.10390	0.4
135.11667	2.1
136.11961	0.6
137.05952	100.0
137.13228	1.9
138.13560	0.6
139.07472	2.5
139.11145	1.4
141.06978	0.7
143.08556	1.3
144.05640	2.6
145.05028	1.3
145.06453	11.8
145.10109	15.6
147.11696	0.8
148.05154	2.1
149.05972	0.6
149.13264	2.3
150.13600	0.5
151.07556	2.2
151.14818	0.4
153.06982	0.5
155.08514	1.6
157.06523	0.6
158.07280	3.1
159.08020	5.0
161.05945	0.7
161.09560	0.7
161.13257	0.7
163.07504	38.5
163.14777	0.5
171.08002	2.3
173.09576	24.0
174.06729	0.4
175.07518	1.5
176.08224	1.3
177.09122	1.4
180.08630	0.6
181.06436	1.4
187.07587	0.4
189.09050	0.7
191.10625	3.4
195.07999	1.5
201.09146	0.5
203.10614	2.5
205.12207	35.5
207.97234	0.3
209.05975	0.8
223.07454	0.5
227.06953	0.4
229.12138	0.5
235.20557	0.5
236.20946	0.4
237.12703	0.5
241.08522	1.5
255.09953	0.5
265.12238	2.2
279.13763	0.6
291.26752	0.5
292.27167	0.4
297.14795	3.3
309.27808	2.1
310.28146	1.5
327.25217	3.6
328.25461	2.7
329.17401	50.7
330.17566	0.7
346.26758	0.5
407.98047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81733	0.2
55.01858	0.9
55.05496	1.2
57.03437	1.4
57.07077	0.1
59.05000	0.2
61.02899	0.2
67.05485	0.3
69.03407	1.2
69.07049	0.2
71.01336	0.3
71.04980	0.2
72.04494	0.1
73.02912	1.4
79.05476	0.3
81.07037	1.0
83.08590	0.2
85.02898	2.4
87.04484	0.2
89.87933	0.1
93.07017	0.7
95.04976	0.1
95.08589	1.3
96.08854	0.1
97.02869	1.4
97.10129	0.1
105.07040	1.2
107.08564	0.8
109.10136	0.2
115.03922	0.6
115.50418	0.1
119.08577	0.6
121.10168	0.2
129.06993	0.2
132.06535	0.2
133.04955	0.9
133.10088	0.2
135.11655	0.2
137.09702	0.1
137.13232	0.2
141.06964	1.1
142.07790	1.6
143.08507	1.0
145.10100	0.3
150.07578	0.5
153.06995	0.5
154.07744	0.6
155.08545	11.3
155.14275	0.2
156.09337	4.9
157.10118	1.6
161.13231	0.2
165.06915	0.2
166.07724	0.1
166.33134	0.1
167.08542	5.9
168.09297	0.9
169.10098	9.2
173.09624	1.1
181.10075	0.8
182.10887	15.8
195.11781	0.2
197.13237	100.0
198.13637	1.0
215.14267	0.6
215.16360	0.2
397.63431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.158
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
56.90357	0.7
61.09473	0.7
65.68533	0.7
69.03432	0.7
85.02905	1.9
107.26105	0.9
121.02830	1.4
145.11761	0.7
171.04935	0.7
185.04227	3.3
197.02997	1.1
203.05258	8.3
215.03871	0.9
265.69476	1.0
305.08252	1.1
347.09732	1.4
353.05255	0.8
365.10489	100.0
371.08035	0.9
527.15759	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73246	0.2
55.01876	0.4
55.05501	0.7
55.75690	0.3
57.03428	3.3
67.05490	0.7
69.03403	0.4
69.07040	0.3
70.21346	0.3
71.04976	17.8
73.02883	0.4
75.04443	0.6
75.27666	0.3
79.05469	1.2
81.07058	2.3
83.04964	1.2
83.08607	0.3
85.02895	16.0
85.06531	0.5
91.05429	2.2
92.15785	0.3
93.07024	1.6
94.04166	0.7
95.04958	3.9
95.08575	1.7
96.44703	0.3
98.97578	0.4
99.04450	0.3
100.11167	0.4
103.05449	5.9
105.07003	3.8
107.04960	1.4
107.08601	0.6
109.06535	1.7
109.10129	1.3
111.04422	1.8
115.05428	0.4
117.07014	0.7
119.04894	0.7
121.06486	2.1
121.10129	0.4
122.03608	5.2
123.08030	0.5
123.11742	0.4
128.06203	0.7
129.05460	2.2
129.06898	1.0
131.04916	10.1
133.06477	14.8
133.10091	0.5
135.08035	6.0
136.05174	0.5
137.05960	100.0
138.06236	0.3
141.06886	0.3
143.08588	2.2
145.06462	4.1
147.08035	1.4
149.06012	0.7
151.07526	19.2
153.05736	0.3
157.06476	1.7
159.08038	0.7
160.05220	0.5
161.05894	0.5
163.07513	23.1
171.08028	2.5
173.36983	0.3
174.06740	1.5
175.07451	2.8
177.09050	1.3
181.08589	0.6
187.07553	1.5
188.08330	0.4
189.09070	3.9
191.10696	0.5
202.07664	0.4
203.10608	3.5
207.08128	0.4
213.09081	0.5
213.95197	0.3
219.10150	0.6
231.10158	0.4
235.11125	0.7
244.50276	0.3
263.10809	0.6
282.98041	0.3
295.13272	7.2
327.12048	0.7
327.15860	15.4
327.19745	0.6
345.16846	2.1
392.69711	0.3
393.16409	0.5
411.17624	0.5
437.19827	0.4
455.20789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01850	0.5
55.05496	1.4
57.03415	1.7
57.07073	2.5
58.07721	0.3
61.02909	0.7
63.61119	0.3
64.42803	0.3
65.38829	0.3
67.05495	2.8
69.03421	3.8
69.07047	1.9
69.89637	0.3
71.01308	0.3
71.04958	0.8
71.08595	0.5
72.03735	0.3
73.02877	1.8
79.05456	2.2
81.02992	0.4
81.03403	5.3
81.07037	10.2
83.08616	0.4
85.02883	14.2
85.06514	2.0
91.05451	2.2
92.09298	0.6
93.07032	2.8
95.04939	2.0
95.08581	3.8
96.08913	0.4
97.02871	4.1
97.06506	1.3
99.04414	1.5
99.08067	0.6
103.05456	3.9
105.07021	2.6
107.08587	3.2
109.02842	1.6
109.06498	3.0
109.10123	2.1
111.08022	0.6
115.03899	0.4
119.04911	0.4
119.08536	0.6
121.06485	0.6
121.10114	1.5
122.10439	0.4
123.04411	1.6
123.08022	0.7
123.11663	3.1
125.05950	3.6
127.03931	2.4
131.04901	19.6
131.08495	0.4
133.10117	4.7
135.11653	0.7
137.05960	12.9
139.11176	0.3
141.05450	6.4
145.04913	0.4
145.10127	0.5
147.04375	6.1
147.08099	0.6
149.05948	0.8
151.07497	1.7
151.11189	5.7
157.06429	0.4
161.05902	0.6
161.09583	1.6
163.07500	9.7
173.09604	0.5
175.07507	3.3
177.16360	0.7
179.10645	11.2
183.35107	0.4
190.05145	0.3
193.08583	3.0
197.11699	100.0
205.12181	0.7
221.98936	0.4
317.13724	1.7
318.63559	0.3
359.16986	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01867	0.9
55.05490	0.9
57.03417	1.9
57.07053	0.7
61.02897	2.2
67.05483	2.4
69.03428	5.7
69.07049	2.1
71.04975	0.8
73.02902	0.8
78.69644	0.3
79.05480	1.5
81.03407	3.8
81.07041	6.4
83.01336	0.4
83.04975	0.5
83.08594	0.7
85.02895	21.7
85.06523	0.9
87.04429	0.4
90.75169	0.4
91.05457	4.1
91.52075	0.4
93.07029	2.8
95.04939	0.9
95.08587	4.7
97.02874	6.2
97.06577	0.4
97.10118	0.5
99.04435	0.4
99.08057	0.4
102.83028	0.3
103.04748	0.7
103.05444	19.7
105.07014	2.5
107.04936	1.5
107.08583	3.2
109.02873	2.8
109.06489	0.7
109.10169	3.6
111.04408	0.4
117.07011	0.7
119.04922	2.8
119.08558	1.9
121.06478	3.5
121.10133	2.1
122.03627	0.5
123.04424	1.8
123.11711	1.9
125.05977	0.6
125.09602	0.5
127.03913	2.8
129.06949	0.6
130.04112	0.5
131.04906	100.0
133.02832	0.5
133.06480	1.5
133.10109	0.7
135.04381	0.5
135.11655	0.8
137.05959	23.7
141.05438	0.6
143.08646	0.4
145.04988	1.7
147.04395	34.8
147.08015	6.1
148.04768	0.5
149.05957	4.2
149.13234	1.8
150.06747	1.8
151.07513	6.0
151.11150	0.4
157.06490	1.5
161.05965	3.3
162.06702	3.3
163.07512	49.2
165.06993	0.5
165.09126	0.4
175.07507	17.2
177.05438	1.6
177.16205	0.4
179.07018	1.5
179.10674	1.8
180.08527	0.5
187.07480	0.7
190.04921	0.4
193.08575	15.0
193.10126	0.5
195.08000	0.4
197.11708	15.9
203.10571	0.8
204.11073	0.8
205.08504	0.9
211.07512	0.8
213.09099	0.6
221.05963	0.8
225.09160	0.6
232.76065	0.4
251.06815	0.6
253.08574	0.8
271.06927	0.4
271.09692	2.3
273.11200	0.7
281.11719	0.5
283.09732	0.5
284.71860	0.4
291.26822	0.8
297.11169	0.9
299.12668	2.4
309.27853	0.5
311.12741	0.6
317.13806	13.3
329.13959	0.5
423.41364	0.5
525.22766	0.9
526.23230	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	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10546	0.5
53.03938	1.2
54.63464	0.6
54.81580	0.7
55.01865	0.7
55.05267	0.9
55.05509	16.6
56.33802	0.6
57.03431	1.1
57.07072	10.7
59.04986	4.0
65.60305	0.7
67.05494	21.9
69.03402	5.1
69.07057	56.6
71.04969	1.8
71.08602	3.1
73.06538	1.7
79.05479	14.0
81.07042	100.0
83.04967	1.1
83.08608	19.1
85.02898	8.4
85.06065	1.0
85.06540	11.4
91.05476	5.2
92.08752	1.3
92.09258	1.3
93.07027	30.2
95.04961	1.7
95.08589	75.1
97.06510	6.0
97.10154	6.0
97.81922	0.7
99.08065	3.9
105.07030	9.2
107.08582	29.8
109.02892	0.9
109.10143	26.6
111.08064	15.4
111.11703	11.5
119.08565	5.7
120.15483	0.7
121.10110	14.1
123.11695	31.1
125.09606	1.8
125.13266	1.2
127.11169	1.5
131.04974	0.8
133.10097	1.9
135.11685	11.8
137.05959	5.6
137.13251	26.5
139.11156	1.5
145.10117	1.6
147.11638	4.5
149.13239	21.1
151.14783	1.2
153.12712	11.9
155.14323	4.3
161.13284	1.4
163.07545	1.1
163.14793	5.4
165.12779	1.2
167.14288	3.7
171.13751	1.6
173.09642	0.9
173.15382	3.6
177.16313	1.3
191.17975	0.8
203.10620	0.8
205.12303	1.6
239.23740	0.8
273.25797	1.3
279.26837	6.6
291.26721	13.9
297.27869	3.7
309.27832	27.3
315.28937	4.4
327.25507	0.8
327.28818	5.6
329.17276	2.6
345.30020	9.8
390.11469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
53.10685	0.3
55.01858	0.7
55.05489	2.8
57.03421	1.9
57.07058	1.4
61.02893	2.0
61.99841	0.3
67.05495	4.6
68.05843	0.4
68.98813	0.3
69.03422	4.2
69.07055	4.7
71.04965	0.7
71.36210	0.4
73.02889	1.5
79.05465	2.8
79.64455	0.3
80.50986	0.4
81.03393	2.3
81.07040	15.0
81.07525	0.5
82.07378	0.7
83.01350	0.3
83.04961	0.5
83.08592	2.5
85.02892	14.2
85.06515	2.7
91.05453	4.6
92.09295	0.6
93.07017	5.2
95.04930	1.6
95.08592	11.6
96.08912	1.5
97.02879	3.5
97.10121	0.6
99.04412	0.6
99.08067	2.4
103.05451	22.0
105.06995	2.8
107.04926	1.7
107.08578	5.5
109.02869	1.3
109.10151	6.1
110.10435	0.6
115.05400	0.4
117.06972	0.5
119.04919	3.3
119.08559	2.8
121.06469	2.9
121.10141	3.8
122.03612	0.6
123.04433	2.1
123.11686	3.2
124.12012	0.5
125.09657	0.5
127.03868	1.6
129.06999	1.5
130.04170	0.5
131.04909	100.0
133.02936	0.4
133.06477	1.5
133.10086	0.5
135.04384	0.6
135.11649	3.0
136.75774	0.4
137.05960	26.4
137.13203	1.4
138.06310	0.6
143.08435	0.5
145.04979	0.6
147.04391	32.2
147.08023	6.0
147.11673	0.8
149.05957	5.0
149.13206	3.2
150.06761	0.7
150.13542	0.6
151.07506	5.9
153.05400	1.1
157.06439	0.5
161.05943	3.8
161.13161	0.6
162.06729	3.8
163.07512	48.5
163.14824	1.9
165.06949	0.4
175.07512	17.0
177.09126	0.8
179.06987	2.1
181.08664	0.5
187.07607	0.4
189.09082	0.5
193.08566	14.1
195.08044	0.6
195.09932	0.3
204.14600	0.4
205.08479	0.5
211.07433	0.5
213.09187	0.5
221.05788	0.4
239.07008	0.4
249.09267	0.4
251.06993	0.9
253.08557	0.7
265.08517	0.5
271.09576	1.7
273.10941	0.4
273.25754	0.6
283.09729	0.6
291.26797	2.0
292.27118	1.7
297.11115	0.9
299.12799	3.2
309.11166	0.5
309.14822	0.4
309.27856	0.4
310.28067	0.7
311.12650	0.8
317.13821	10.2
327.29257	0.4
329.13895	0.6
347.14981	0.6
382.86273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74783	0.8
55.05508	14.8
57.03431	2.4
57.07072	7.5
59.04985	1.4
64.33076	0.9
67.05494	20.6
68.72226	0.9
69.03411	1.2
69.07058	40.7
71.04973	3.9
71.08612	2.0
73.02904	1.0
75.25353	0.9
77.31401	0.9
78.09025	0.8
79.05480	11.6
81.07042	100.0
82.07386	1.2
83.08611	15.8
85.02895	6.9
85.06513	8.2
91.05465	4.8
92.08878	1.1
92.57965	0.9
93.07028	27.3
95.04948	1.4
95.08588	59.9
97.02911	1.5
97.06496	7.0
97.10147	5.1
99.08074	6.4
105.07024	9.8
107.08583	26.1
109.10153	30.4
111.08057	10.2
111.11695	7.6
119.08578	5.5
121.10126	16.8
123.11688	23.3
127.11182	1.0
127.61787	0.9
133.10127	4.1
135.11673	16.3
137.13239	21.1
139.11211	1.9
147.11690	7.2
149.13280	16.8
151.14873	1.1
152.27332	1.0
153.12752	6.2
155.14308	6.3
160.20110	1.1
161.13284	2.0
163.14804	7.7
165.12738	5.4
171.13852	1.2
177.16353	5.4
195.17268	1.5
213.18294	1.2
217.19437	1.4
227.74414	1.0
235.20779	0.9
261.25781	1.1
273.25800	2.3
279.26791	1.9
291.26779	18.8
295.03372	1.2
297.27704	5.0
309.27789	19.9
327.25381	1.8
327.28879	9.8
345.29846	2.1
525.23016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17858	0.8
50.81570	0.7
53.03956	0.9
54.78479	0.7
55.01849	0.8
55.05508	14.4
57.03436	1.0
57.07064	13.9
59.04992	2.2
59.74163	0.7
60.26048	0.7
60.67256	0.7
63.00404	1.0
65.03902	0.9
66.38467	0.8
67.05494	19.8
69.03427	3.5
69.07056	50.9
71.04982	5.8
71.08617	3.7
79.05479	12.5
81.07041	100.0
81.74081	0.9
83.08601	16.5
84.73555	0.9
85.02900	5.7
85.06548	8.0
86.85004	0.9
91.05454	6.3
93.07024	29.4
95.04960	1.4
95.08589	72.0
97.02894	1.2
97.06527	5.7
97.10159	5.5
99.08083	2.1
105.07019	17.3
107.08582	28.0
107.56673	0.8
109.06514	3.7
109.10147	33.0
111.08070	10.7
111.11700	10.5
115.36170	0.9
119.08572	9.4
121.10128	20.7
123.08067	0.9
123.11687	26.1
125.09615	1.9
125.13320	1.3
127.03876	1.1
133.10130	6.5
135.11696	15.3
137.09636	1.0
137.13235	27.5
139.11177	1.8
142.94655	1.0
145.10217	1.0
147.11662	7.4
149.13219	12.5
151.14821	1.1
153.05505	1.1
153.12744	9.0
155.14282	10.2
161.13266	5.5
163.14818	4.7
165.12759	5.4
167.14293	1.2
175.14871	1.2
177.16379	1.4
201.14836	1.0
205.19548	1.2
217.19563	1.2
261.25647	1.5
273.25821	7.2
279.26791	6.6
291.26761	26.6
297.27921	5.0
309.27835	17.6
327.28796	7.3
345.29932	8.6
347.14386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01865	4.5
55.05502	22.0
56.05833	3.0
56.96558	5.1
57.03455	2.7
57.07057	3.4
59.04985	3.6
67.05498	28.3
68.05812	2.3
69.03407	10.0
69.07060	24.1
71.04970	13.8
79.05474	28.7
80.05806	2.4
81.07042	70.4
82.07374	5.4
83.04961	16.2
83.08613	5.0
85.02895	2.8
85.06535	15.8
91.05448	36.1
92.05804	4.7
93.06492	3.8
93.07029	67.7
94.07359	10.0
95.04951	25.9
95.08590	39.4
96.08961	3.5
97.06517	14.4
99.04433	5.6
103.64085	2.4
105.07019	72.2
106.07341	5.2
106.33207	2.3
107.08573	58.9
108.08919	3.3
109.06481	17.1
109.10174	28.1
111.08067	11.0
117.07011	24.0
118.07331	3.0
119.08559	58.3
120.08894	5.5
121.06468	12.6
121.10124	28.0
123.08041	10.2
123.11696	11.1
125.09604	3.2
129.07004	9.1
130.07751	4.3
131.08553	24.5
132.08891	3.6
133.06258	8.9
133.10126	36.1
134.10419	4.9
135.08055	14.4
135.11661	15.8
137.06004	2.5
137.09608	5.7
139.07552	3.6
142.07707	5.4
143.08556	11.6
145.10115	46.6
146.10553	3.3
147.08054	4.1
147.11673	18.7
148.12016	4.4
148.48898	2.6
149.09601	4.8
149.13287	5.6
151.03885	4.8
151.11169	5.0
157.10069	14.9
159.11620	30.7
160.12042	4.1
161.09560	10.5
161.13229	10.4
163.11108	10.1
164.02815	2.3
164.11443	2.9
173.13231	10.0
175.11122	10.5
175.14833	5.4
177.12738	3.5
179.10605	2.6
189.08824	2.8
189.16548	2.7
191.14159	2.5
199.14757	3.1
201.16374	15.4
202.16638	2.9
203.10408	69.2
203.18063	2.7
204.11302	3.5
209.41566	2.5
217.15903	4.7
219.13756	2.5
219.17455	10.8
232.10641	3.6
235.16890	4.8
237.18410	2.4
243.11737	2.8
252.63826	2.6
257.15073	100.0
259.13083	3.3
263.12534	4.0
291.15671	63.5
291.18692	4.7
309.13751	2.8
336.09305	2.5
422.39420	2.4
488.08746	3.0
523.65234	2.8
525.32092	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	525.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01865	4.5
55.05502	22.0
56.05833	3.0
56.96558	5.1
57.03455	2.7
57.07057	3.4
59.04985	3.6
67.05498	28.3
68.05812	2.3
69.03407	10.0
69.07060	24.1
71.04970	13.8
79.05474	28.7
80.05806	2.4
81.07042	70.4
82.07374	5.4
83.04961	16.2
83.08613	5.0
85.02895	2.8
85.06535	15.8
91.05448	36.1
92.05804	4.7
93.06492	3.8
93.07029	67.7
94.07359	10.0
95.04951	25.9
95.08590	39.4
96.08961	3.5
97.06517	14.4
99.04433	5.6
103.64085	2.4
105.07019	72.2
106.07341	5.2
106.33207	2.3
107.08573	58.9
108.08919	3.3
109.06481	17.1
109.10174	28.1
111.08067	11.0
117.07011	24.0
118.07331	3.0
119.08559	58.3
120.08894	5.5
121.06468	12.6
121.10124	28.0
123.08041	10.2
123.11696	11.1
125.09604	3.2
129.07004	9.1
130.07751	4.3
131.08553	24.5
132.08891	3.6
133.06258	8.9
133.10126	36.1
134.10419	4.9
135.08055	14.4
135.11661	15.8
137.06004	2.5
137.09608	5.7
139.07552	3.6
142.07707	5.4
143.08556	11.6
145.10115	46.6
146.10553	3.3
147.08054	4.1
147.11673	18.7
148.12016	4.4
148.48898	2.6
149.09601	4.8
149.13287	5.6
151.03885	4.8
151.11169	5.0
157.10069	14.9
159.11620	30.7
160.12042	4.1
161.09560	10.5
161.13229	10.4
163.11108	10.1
164.02815	2.3
164.11443	2.9
173.13231	10.0
175.11122	10.5
175.14833	5.4
177.12738	3.5
179.10605	2.6
189.08824	2.8
189.16548	2.7
191.14159	2.5
199.14757	3.1
201.16374	15.4
202.16638	2.9
203.10408	69.2
203.18063	2.7
204.11302	3.5
209.41566	2.5
217.15903	4.7
219.13756	2.5
219.17455	10.8
232.10641	3.6
235.16890	4.8
237.18410	2.4
243.11737	2.8
252.63826	2.6
257.15073	100.0
259.13083	3.3
263.12534	4.0
291.15671	63.5
291.18692	4.7
309.13751	2.8
336.09305	2.5
422.39420	2.4
488.08746	3.0
523.65234	2.8
525.32092	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	525.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23628	2.5
55.05505	28.4
57.03432	5.1
57.07071	57.2
67.05496	34.7
67.50665	2.7
69.07056	37.4
71.04960	14.4
73.06442	2.8
76.62858	2.9
79.05482	36.0
81.07043	100.0
82.07381	13.4
83.04954	7.8
83.08607	14.6
85.06529	26.0
91.05456	43.2
92.05795	5.4
92.09270	7.6
93.07028	94.3
93.07574	5.8
94.07352	16.3
95.04957	21.2
95.08588	65.7
97.06516	6.9
99.04449	3.5
105.07018	69.6
106.07377	13.4
107.08578	77.9
108.08910	6.8
109.06538	6.3
109.10149	47.1
110.10506	5.8
111.08083	3.9
117.07012	13.8
119.08562	69.6
120.08879	8.3
121.06438	4.9
121.10125	82.4
122.10470	14.4
123.08014	4.9
123.11692	21.9
130.90384	4.1
131.08574	13.4
133.10136	34.5
134.10464	3.9
135.08015	23.6
135.11668	41.2
136.12030	4.1
137.09602	19.7
145.10127	19.3
146.10423	3.2
147.11678	41.9
148.12146	5.7
149.05753	3.8
149.13266	43.2
150.13556	5.9
151.11176	15.6
157.54736	4.0
159.11670	21.7
160.12030	3.6
161.13210	20.0
162.13490	4.9
163.11197	4.1
168.60254	3.5
173.13251	4.5
175.11028	5.2
175.14848	11.8
177.08839	35.7
177.12752	18.0
180.53963	3.1
189.08900	7.3
191.17995	5.5
193.15848	6.0
197.09311	4.1
201.16420	16.8
203.10458	7.1
203.17940	34.7
204.18266	4.8
205.19513	31.0
206.19807	6.8
215.10297	4.1
216.14793	4.1
217.08357	45.1
217.15837	13.8
219.17421	23.0
220.17938	8.1
221.19011	21.2
222.19441	4.4
225.12608	3.8
235.09410	5.7
237.18488	18.1
245.15268	4.6
249.10938	4.1
253.17534	3.2
257.15085	7.0
259.16714	18.8
261.14566	7.7
273.11191	4.1
273.14523	8.3
275.12717	3.1
275.16089	16.1
289.14035	37.4
291.15796	12.2
305.13538	5.7
307.14899	6.5
525.31439	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2329
Annotation	Mascaroside
Peak:m/z	Relative Intensity
75.41310	0.2
79.05476	0.3
81.03349	0.3
81.07056	0.2
85.02880	1.2
91.05463	1.3
93.07027	0.4
94.04159	0.4
103.05449	7.5
107.08565	0.3
109.06452	0.3
115.05385	0.3
117.06996	2.7
119.04931	0.3
121.06488	1.2
122.03597	1.1
123.08048	1.4
128.06190	0.6
131.04907	17.5
135.08018	0.4
137.05957	19.3
143.08533	1.2
145.06465	0.4
149.09624	0.3
151.07535	7.1
156.03627	0.3
162.06743	1.9
163.07515	26.5
171.08038	0.5
175.07495	1.8
175.11183	0.3
177.09079	100.0
178.09421	0.5
189.83267	0.3
194.83813	0.3
195.10159	3.6
221.09552	0.5
221.11687	12.4
237.20378	0.3
400.69159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01854	3.4
55.05510	17.2
57.03422	2.3
57.07064	7.7
59.04988	2.8
65.03936	1.2
66.36910	1.4
67.05492	33.4
69.03399	1.6
69.07056	34.9
71.04982	21.1
76.25379	1.5
79.05473	30.9
81.07041	60.9
83.04950	11.7
83.08601	8.8
85.06525	19.2
91.05459	38.9
93.07021	100.0
95.04943	17.2
95.08586	48.8
97.06517	8.2
97.10153	1.8
99.04443	2.7
99.08072	2.1
101.05992	2.2
105.07012	69.8
106.07339	2.2
107.08572	66.4
107.68933	1.3
109.06518	11.3
109.10141	62.6
109.10860	2.9
111.08069	17.3
117.07016	12.5
117.90501	1.4
118.13569	1.7
119.08562	66.4
119.09399	3.0
121.06498	8.3
121.10121	50.4
123.08063	8.3
123.11698	9.9
125.09618	10.6
127.11152	14.3
129.06946	2.0
130.07759	2.0
131.08546	27.2
133.10114	32.7
135.08060	3.6
135.11687	27.7
137.09610	9.7
139.07455	2.0
142.07726	2.5
143.08575	5.9
144.09389	2.8
145.10100	45.8
147.11685	16.5
149.09601	7.0
149.13216	15.2
151.11171	6.7
154.97186	1.5
155.08521	1.5
157.10136	8.8
159.11658	48.6
160.12076	1.4
161.09676	1.9
161.13220	47.7
163.11156	7.7
171.11671	1.8
173.13234	10.8
175.11269	2.4
175.14748	19.1
177.12810	4.8
177.16324	7.1
179.14302	2.6
182.31674	1.5
189.16356	3.3
191.14261	2.1
191.17915	18.0
201.16360	34.5
203.17940	6.9
217.15851	3.0
219.17435	48.1
219.19495	2.5
221.15381	2.7
235.16878	3.4
237.18443	25.9
253.17854	2.2
383.37491	1.8
460.01083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.0
53.03940	1.7
55.01862	1.8
55.05503	18.6
57.03413	1.9
57.07067	17.8
60.52257	0.8
61.02904	1.1
63.90790	1.1
67.05141	1.3
67.05492	34.8
69.03394	5.5
69.07051	35.6
71.04973	2.3
71.08615	11.7
79.05473	32.9
81.03384	1.7
81.07039	85.9
83.04958	2.3
83.08595	19.5
85.02896	10.4
85.06503	0.9
85.10192	2.9
91.05456	23.7
93.07021	51.5
95.04949	8.3
95.08582	100.0
97.02850	1.6
97.06500	2.5
97.10140	14.8
103.05428	3.7
105.07009	38.3
107.04941	56.4
107.08569	45.5
109.02888	1.0
109.06480	4.3
109.10139	46.7
111.08046	2.2
111.11683	5.3
115.05444	2.4
116.43542	1.0
117.07034	3.5
119.08560	27.1
121.06495	2.2
121.10123	38.3
121.58280	1.0
123.08011	1.8
123.11673	16.6
125.09595	2.1
125.13240	1.4
127.03919	1.6
128.35927	1.1
131.04906	1.4
131.08548	5.3
132.06853	1.0
133.10098	27.4
135.08034	7.3
135.11667	24.5
137.05946	4.9
137.09590	3.9
137.13211	6.2
139.11150	2.4
143.08536	1.7
145.04869	1.7
145.06419	1.6
145.07597	1.8
145.10049	7.2
147.04367	2.0
147.11667	26.5
149.13268	10.6
151.11159	2.0
151.14806	2.4
154.02620	1.0
155.10580	1.6
157.12175	5.0
159.11664	1.9
161.13208	20.4
163.07506	45.8
163.14812	7.7
164.08279	4.4
164.61870	1.1
165.12691	6.8
165.16371	2.2
173.09550	5.1
175.14752	9.8
177.16350	5.7
179.14192	1.7
179.17883	1.8
189.16359	10.9
191.17931	6.3
203.10625	5.8
203.17937	5.5
205.12212	8.1
210.22601	1.2
213.12662	4.2
217.19502	10.5
247.24117	4.8
273.25702	51.1
291.26721	23.0
306.74625	1.1
309.27847	16.1
327.15778	9.0
531.12946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05493	0.6
57.03423	0.3
59.04985	0.4
64.33567	0.3
65.03929	4.0
67.05478	0.5
67.86772	0.2
69.03407	1.8
69.07035	1.4
70.03824	0.3
79.05479	2.4
81.07045	3.4
83.08614	0.3
85.02890	4.7
91.05460	7.2
93.03382	7.4
93.07011	1.3
94.04147	0.6
95.04932	1.7
95.08566	2.5
97.02868	1.7
97.06384	0.3
103.05444	1.3
105.07010	15.5
107.04941	3.6
107.08615	0.6
109.02850	0.4
109.06499	1.4
109.10139	1.4
110.03625	1.1
111.04427	12.4
111.08093	0.3
115.05444	0.3
117.06992	1.1
119.04923	6.6
119.08581	0.3
121.06477	1.2
121.10118	0.5
122.03612	3.1
123.11626	0.5
125.05968	14.0
128.06197	1.6
129.06960	0.3
131.04927	1.1
131.08546	1.3
133.06473	13.4
135.08018	0.7
136.05185	0.5
137.05954	100.0
138.06305	0.6
143.08522	8.6
145.06480	5.1
145.10123	0.6
147.04362	1.1
147.07980	0.5
148.05202	0.3
148.88033	0.3
149.05928	0.4
151.03893	27.0
151.04970	1.7
151.07518	29.5
153.05444	21.6
159.08012	3.7
160.08849	0.4
161.05914	0.3
161.09613	0.4
162.06709	2.7
163.07515	2.4
165.09077	23.2
171.08020	9.9
172.08780	1.5
173.05992	0.5
174.06790	0.3
175.07509	0.5
175.11087	0.3
177.09047	3.3
179.07014	1.4
181.08546	2.7
188.08292	10.5
189.09012	1.1
191.10614	1.9
203.10640	28.1
221.11693	32.1
237.19084	0.3
263.10620	0.4
295.13272	1.3
327.15845	12.8
345.16901	19.8
352.48102	0.3
413.30136	0.3
417.45419	0.3
478.29901	0.3
491.41803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81736	1.0
55.01866	2.0
57.03436	7.7
59.04979	1.3
67.05487	2.3
69.03416	2.6
69.07056	2.5
71.04612	1.6
71.04978	39.9
72.71930	1.1
73.02885	5.0
75.04472	1.0
79.05459	5.9
81.07037	7.1
82.07410	1.5
83.04967	2.2
83.08599	1.1
85.02893	42.2
85.06517	6.3
91.05459	19.9
93.07025	6.5
94.04164	1.4
95.04949	7.8
95.08577	7.4
97.02878	2.0
97.06491	1.3
102.07007	1.4
103.05446	2.7
105.07014	8.0
105.54768	1.4
107.04942	5.9
107.08582	8.1
109.06504	5.0
109.10129	2.3
111.04430	4.5
117.06987	2.2
119.04927	20.3
119.08550	2.8
121.06487	7.0
121.10130	13.9
122.03632	4.4
123.08082	1.9
125.05985	1.5
125.09616	1.3
127.03875	1.4
128.06219	1.9
129.05496	9.4
129.06982	12.3
131.04893	7.9
131.08545	2.0
133.10078	1.7
135.08043	6.7
135.11668	2.4
136.05150	2.1
137.05956	100.0
137.13208	1.9
137.33931	1.1
145.06462	4.9
146.03674	1.1
147.04440	2.3
147.06522	5.1
147.08125	1.3
149.05959	15.3
151.07527	95.1
157.06461	14.0
157.10049	1.5
161.05969	14.0
161.09605	2.4
163.07521	30.8
164.09158	2.4
165.06947	4.7
165.09129	7.9
167.07149	2.4
167.08521	10.8
171.08012	1.6
174.06743	9.9
175.07503	14.5
177.05341	1.8
177.09091	27.8
177.16351	13.4
178.07765	1.8
181.06508	2.0
181.08444	1.4
182.07283	1.3
187.07420	1.6
189.09062	32.2
193.06474	4.6
193.10161	5.3
195.08031	23.9
195.09967	3.6
195.17407	5.6
206.07300	1.4
207.10103	2.4
209.09576	2.6
210.06702	1.3
211.07468	1.5
212.08296	2.7
213.18498	2.7
219.10249	1.4
221.05986	8.7
221.09586	9.5
221.11543	2.6
223.07539	11.1
224.08255	2.5
225.09030	10.2
227.10623	40.7
237.09143	2.4
238.06175	1.9
238.09901	1.4
239.07127	1.6
240.07802	1.8
249.08984	4.5
252.07666	2.1
253.08530	12.7
253.12094	14.6
255.10121	31.3
256.86423	1.2
266.09351	1.6
267.10233	5.9
269.08054	4.5
269.11508	1.5
272.10373	1.9
281.11581	6.4
285.11209	18.5
287.12692	33.7
299.12747	2.5
301.14120	1.4
311.12683	1.6
313.14285	25.2
331.15359	92.1
332.15683	1.6
343.15161	2.2
367.15363	2.7
385.16299	2.6
423.17938	1.7
477.21054	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	524.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36379	0.4
55.05500	0.5
59.04995	0.8
61.02912	0.7
65.03923	4.7
67.05497	0.5
69.03407	1.2
69.07049	3.5
70.91059	0.5
79.05469	2.6
81.07027	4.1
83.77913	0.5
85.02890	5.8
91.05466	8.8
92.63685	0.5
93.03383	8.4
93.07012	1.1
94.04150	0.6
95.04917	1.2
95.08582	2.7
97.02861	1.0
103.05444	1.1
105.07018	14.0
107.04978	4.2
107.08566	1.3
109.06491	1.0
109.10155	1.3
110.03616	1.3
111.04430	15.3
117.06984	0.8
119.04929	7.1
121.10121	1.1
122.03640	4.3
123.11732	1.0
125.05963	18.4
126.06255	0.5
128.06221	2.4
131.04906	1.2
133.06459	13.0
133.10019	0.7
135.11644	0.7
136.05194	1.0
137.05959	100.0
141.67389	0.6
143.08534	10.7
145.04971	0.6
145.06482	5.3
151.03899	17.0
151.04988	1.2
151.07520	38.1
153.05447	27.4
159.08061	3.4
162.06728	2.7
162.70154	0.6
163.07516	2.2
165.09090	21.8
171.07997	14.3
172.08707	0.6
175.07384	0.5
177.09079	3.5
181.00877	0.6
181.08540	2.1
188.08284	13.4
191.10652	1.3
203.10646	35.1
221.11693	27.4
223.66455	0.6
235.11241	0.5
237.69704	0.6
287.31952	0.5
291.26630	0.8
295.13126	0.7
309.27866	2.2
327.15851	18.2
330.40396	0.5
345.16922	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01856	4.0
57.03429	12.0
59.04990	1.0
60.04498	1.2
61.02911	5.9
69.03412	25.1
71.01325	3.1
71.04976	0.7
73.02899	28.1
75.04443	0.9
79.05473	3.9
81.03397	4.8
81.07033	1.2
85.02888	28.1
87.04446	9.9
91.05465	1.0
95.04953	1.3
96.04487	1.0
97.02869	24.7
99.04411	1.1
103.03922	0.9
103.05421	4.8
105.07018	5.1
107.04936	42.6
109.02870	1.2
110.31775	0.6
115.03907	14.1
115.05396	1.2
117.06967	0.7
119.04910	0.7
121.06464	1.0
123.04395	1.1
124.05139	1.3
125.05973	1.0
127.03865	6.6
131.04893	2.3
133.04942	11.6
135.08034	14.6
135.63962	0.5
137.05968	0.8
144.06538	0.9
145.04927	3.0
145.06508	1.3
145.07571	1.0
147.04376	1.4
152.04681	1.0
154.06174	1.4
162.07587	1.0
163.07504	38.6
166.36606	0.6
167.06996	100.0
168.07410	0.7
180.07771	4.0
181.08521	7.1
195.10120	31.7
207.10168	0.8
213.11179	86.0
223.09671	3.1
241.07027	0.7
279.12149	0.8
291.12210	1.1
309.09714	0.6
309.13202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01862	3.8
55.05497	2.1
57.03422	6.2
66.68964	0.9
67.05506	3.7
69.03415	3.8
69.07056	3.8
71.04977	38.3
73.02888	4.5
75.21194	0.9
77.95601	0.8
78.69904	0.9
79.05467	2.2
79.23190	0.8
81.03458	0.8
81.07050	7.9
83.04988	2.0
83.08611	1.2
85.02895	47.5
85.06522	4.3
91.05464	22.4
93.07020	4.3
95.04936	5.1
95.08591	8.5
97.02870	1.7
97.10106	1.1
99.04440	1.5
103.05453	4.3
105.07024	4.4
107.04936	5.7
107.08562	6.2
109.06512	4.5
109.10141	5.7
111.04424	2.2
115.05376	1.0
117.06979	3.9
119.04919	17.5
119.08573	3.5
121.06460	6.3
121.10124	11.4
122.03597	1.9
123.08088	1.7
125.09614	3.8
127.03966	1.2
128.06187	1.2
129.05487	11.8
129.06978	13.1
131.04924	10.3
131.08537	1.2
133.06448	4.2
135.04393	1.1
135.08031	6.1
135.11685	2.2
137.05962	99.7
137.13203	1.1
145.06479	4.6
146.08189	1.5
147.06497	4.2
147.07909	0.9
147.11687	1.1
149.05954	13.5
149.09613	1.3
149.13219	1.3
151.03868	1.6
151.07530	100.0
157.06465	13.2
161.05968	13.5
161.09612	2.0
162.06776	1.4
163.03934	1.3
163.07536	29.2
164.09189	2.2
165.06967	3.6
165.09064	5.7
167.08524	10.6
171.08095	1.4
174.06700	7.5
175.07498	13.3
177.09093	25.0
177.16379	10.7
178.07768	2.0
178.09381	1.6
181.06351	1.0
182.07242	1.1
189.09085	35.0
193.06499	2.1
193.10109	6.1
194.07277	1.2
195.08057	29.7
195.10019	4.9
195.17499	4.4
197.09633	1.2
199.08084	1.1
201.09128	1.1
203.06990	1.4
203.08684	1.3
203.10576	2.0
207.10196	4.4
209.09639	2.1
210.06693	2.3
211.07535	1.9
212.08270	5.2
213.18460	1.1
219.10182	2.0
221.05984	7.6
221.09579	9.3
221.11633	3.1
223.07532	11.5
224.08286	3.7
225.09024	8.3
227.10628	36.5
237.09061	4.4
238.06186	5.2
238.09924	1.3
239.06905	1.1
239.10709	1.4
240.07762	4.7
249.09047	7.1
253.08557	14.5
253.12180	17.1
255.10118	30.8
261.11017	1.3
265.08459	2.0
267.10077	6.4
269.08005	4.2
269.11673	1.5
270.08960	1.1
272.10379	3.6
281.11685	6.1
284.10248	1.8
285.11151	22.1
287.12766	44.6
287.15906	1.5
298.12149	1.2
299.12842	2.3
311.12799	4.0
313.14288	25.3
331.15363	96.4
343.15378	3.5
355.15460	1.8
367.15186	4.1
385.16345	1.4
423.17630	1.3
441.19742	1.1
477.20978	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	524.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25972	0.5
53.03926	0.6
55.01627	0.6
55.01868	9.7
55.41006	0.6
57.03431	14.2
59.04977	2.8
61.02909	4.3
64.33987	0.5
64.92645	0.6
65.03921	2.6
69.03077	0.7
69.03427	12.7
71.01327	3.4
71.04971	0.8
72.04488	0.6
73.02901	13.2
76.44820	0.4
79.05461	3.0
81.03388	2.4
81.07040	6.1
84.23662	0.6
85.02892	22.3
87.04441	2.0
91.03931	0.5
91.05479	4.6
93.03393	1.1
94.04157	2.6
95.04944	2.1
97.02879	14.7
99.04436	0.7
103.03921	0.8
107.04922	2.6
109.02866	1.2
109.06497	11.0
111.04435	3.1
115.03905	5.0
120.02061	0.7
121.02875	3.9
121.03668	0.6
126.05431	0.5
127.03902	4.2
127.50716	0.5
133.04967	7.1
137.05951	4.3
139.03880	5.9
144.06543	0.8
145.04916	4.2
149.02321	2.9
150.07607	1.0
153.05467	1.9
154.06230	64.1
163.06030	0.7
166.02599	4.0
166.63269	0.5
169.08600	5.6
171.06564	0.7
181.04932	100.0
184.03624	1.0
213.07552	79.5
241.06999	0.6
259.08099	0.6
264.87473	0.5
268.11938	0.7
405.64221	0.6
446.16037	0.7
473.15646	0.6
474.15897	1.0
506.18100	1.0
509.19510	0.5
524.19330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.0
57.03429	17.1
60.04507	1.7
61.02925	13.2
65.03929	2.6
69.03419	31.3
70.06570	1.1
71.01344	4.5
73.02903	53.0
74.43069	1.1
79.05484	6.7
81.03407	2.1
81.07046	7.1
85.02895	43.1
87.04465	11.5
91.05466	7.9
94.04166	5.1
95.04940	1.5
97.02872	37.1
99.04488	1.3
105.03374	1.1
107.04983	2.3
107.08665	1.1
109.02858	2.0
109.06484	13.7
111.04440	2.3
115.03912	21.1
119.04956	1.9
125.05979	1.6
127.03922	7.3
133.04930	13.6
137.05980	6.8
137.09575	1.2
139.03893	5.9
145.04919	9.9
147.04416	6.6
149.02324	2.3
150.07620	1.3
154.06223	66.0
166.02574	5.2
169.08571	5.2
181.04935	100.0
182.05209	1.2
213.07556	99.5
227.11662	1.2
228.50735	1.4
232.82240	1.4
255.11026	1.4
263.03683	1.6
263.07022	1.1
268.11652	2.2
313.11954	1.3
505.18466	1.3
506.17932	1.8
524.19312	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	524.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20414	1.3
55.01862	2.4
55.17662	1.6
55.69735	1.3
57.03432	2.0
58.99304	1.7
61.02913	2.0
64.48380	1.4
64.98716	1.6
69.03407	8.9
71.04977	12.6
79.05470	1.8
85.02883	31.7
91.05457	7.2
95.04934	3.8
97.02876	3.3
105.07031	8.3
107.04974	2.0
109.06532	2.8
115.75063	1.5
117.06984	2.0
119.08559	3.1
121.06458	7.1
121.10123	21.1
123.04417	2.3
127.03896	2.3
129.05418	2.6
129.06981	8.5
131.08548	15.5
133.06413	5.9
133.10127	2.6
135.04399	3.2
135.08003	2.1
135.42198	2.1
137.05930	3.0
140.04668	2.8
142.07707	2.1
143.08611	5.0
144.05641	2.0
145.06438	2.7
145.10091	8.7
147.08032	12.4
147.11658	2.0
149.05981	2.4
149.09587	7.5
155.07086	1.7
155.08524	9.1
157.06444	6.9
159.08006	37.3
161.05940	7.0
161.09586	15.6
163.03902	7.8
163.07494	2.4
163.11168	10.8
165.05525	2.0
165.09084	2.9
171.08037	13.4
173.09578	41.6
175.07489	35.6
177.05450	12.7
181.04947	2.1
183.08028	10.1
185.06000	2.4
189.09044	50.9
191.06818	2.9
191.10692	13.1
193.08611	10.7
199.05942	2.5
199.07544	10.4
201.09105	17.8
203.06985	24.9
207.10097	2.2
211.07477	2.3
217.08560	44.4
219.10156	12.5
221.08078	3.1
227.06960	4.1
229.08583	6.5
231.06503	2.0
235.09584	14.8
245.08047	32.3
247.09714	4.1
263.09058	32.2
273.07550	4.0
278.99557	1.7
281.10278	3.2
291.08487	27.9
309.09622	100.0
327.10678	77.2
345.11737	92.7
357.27594	1.9
427.07385	1.7
489.55798	1.9
539.05035	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82664	0.7
53.03938	1.5
55.01865	1.3
55.05507	23.3
57.03421	3.7
57.07072	9.4
58.53957	0.7
59.04985	1.5
65.03941	1.2
67.05495	25.6
69.03416	5.6
69.07060	49.9
71.04984	7.8
71.08618	3.4
79.05481	17.6
81.03386	1.3
81.07043	100.0
83.04966	8.4
83.08608	15.3
85.02898	9.0
85.06545	6.0
87.04460	1.6
91.05463	14.9
93.07027	54.1
95.04946	12.7
95.08590	66.1
97.02900	1.1
97.06519	7.8
97.10130	6.1
98.97567	0.8
99.08089	3.5
100.45325	0.8
105.07018	22.4
107.08585	36.4
109.06512	6.0
109.09393	1.6
109.10145	43.3
111.08043	10.5
111.11697	3.9
111.12398	0.7
117.06994	1.6
119.08568	13.9
121.06502	1.7
121.09267	1.3
121.10121	25.0
123.08077	3.5
123.11698	25.8
125.09619	1.8
126.05540	1.0
127.11200	1.3
131.08574	5.8
133.10104	9.9
135.08130	0.9
135.11690	23.3
137.09586	1.3
137.13240	14.6
139.11174	4.4
145.10133	8.2
145.74109	0.8
147.11702	9.3
148.12093	0.9
149.13203	8.3
151.14827	0.9
153.12732	5.9
155.14340	1.3
159.11647	6.5
161.13242	4.8
161.40240	0.8
163.11240	3.3
163.14854	3.5
165.12741	3.0
165.16335	1.0
167.14294	3.9
173.13217	3.1
175.14854	1.9
177.16405	1.3
189.16435	1.0
211.16988	1.4
215.17906	1.6
222.19624	0.9
235.20602	1.0
271.24133	3.2
277.25259	3.6
289.25177	8.2
291.88693	0.9
295.26270	13.8
307.26263	20.4
313.27213	1.0
325.27319	8.7
500.33118	0.9
523.28345	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	523.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
53.86110	0.5
55.05308	0.5
55.05506	8.7
55.60841	0.6
56.96560	0.9
57.03432	1.0
57.07055	3.7
58.60658	0.6
59.04977	0.7
64.56799	0.6
67.05494	15.0
69.03414	1.5
69.06708	1.1
69.07053	18.0
71.04964	1.1
79.05477	10.2
80.57603	0.8
81.07040	100.0
83.04949	3.0
83.08601	4.2
85.02885	5.6
85.06523	2.7
91.05463	9.1
93.07023	23.4
95.04951	1.6
95.08588	43.5
97.02885	0.7
97.06544	1.3
97.10149	3.6
98.97515	0.9
102.14469	0.6
105.06993	8.5
107.05082	0.6
107.08578	21.5
109.06506	2.6
109.10146	29.1
111.11675	3.0
117.07002	1.2
119.08560	7.1
121.10142	9.1
123.07989	0.9
123.11687	3.8
124.68608	0.6
125.09639	0.8
127.07565	1.0
131.08548	3.5
133.10138	5.6
135.11670	18.5
137.05981	0.7
137.09583	2.5
137.13245	16.5
145.10115	4.1
147.11690	5.8
149.13240	3.4
151.11131	1.3
151.14697	0.8
152.64383	0.6
153.12708	3.2
155.10727	0.7
155.14301	4.6
159.11670	3.2
161.13232	3.0
163.14726	1.1
165.12772	0.7
171.13786	1.0
173.15303	7.3
175.14819	0.9
181.12207	0.8
189.16298	1.2
263.09763	0.8
271.24213	3.1
281.65866	0.7
289.25302	5.9
307.26324	9.8
353.16205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85433	0.9
53.03933	1.6
55.01866	1.6
55.05269	1.8
55.05509	21.8
56.96565	2.8
57.03429	6.0
57.07075	10.2
59.04990	2.7
61.72758	1.0
67.05493	27.6
69.03427	10.0
69.07059	48.6
70.03748	1.5
71.04975	10.6
71.08614	1.7
73.02910	1.3
79.05476	17.7
81.07041	100.0
82.17091	1.2
83.04974	11.8
83.08613	13.8
85.02896	13.6
85.06524	10.3
87.04450	7.0
91.05465	18.5
92.08997	4.3
93.07026	51.4
94.80070	1.1
95.04956	13.9
95.08591	61.4
97.02869	6.7
97.06507	7.9
97.10155	5.4
98.97568	7.5
99.04433	1.6
99.08092	2.7
105.04468	1.2
105.07016	25.3
107.04947	1.7
107.08576	37.9
108.08923	1.6
108.62946	1.1
109.06530	8.8
109.10149	42.4
109.10851	2.2
110.10489	2.1
111.08081	7.5
111.11682	5.0
115.03849	1.3
116.98583	2.9
117.06998	4.5
119.08571	22.2
121.06501	1.6
121.10137	25.2
123.08049	2.9
123.11687	30.4
125.09627	5.3
126.05489	1.9
126.09969	1.5
127.03911	1.7
127.11201	2.1
131.08543	11.9
133.04959	1.2
133.06404	1.1
133.10112	18.3
135.11656	16.1
136.76228	1.3
137.06003	8.5
137.09601	4.5
137.13245	15.8
139.11157	2.1
141.12752	1.5
143.08545	2.5
145.10100	16.2
145.11162	1.8
147.04353	2.3
147.11653	10.3
149.09636	2.9
149.13252	8.7
151.11169	2.1
151.14819	2.2
153.12764	6.1
155.14259	2.3
157.10115	1.9
158.99701	1.3
159.11662	7.9
161.13258	6.2
163.11166	3.0
163.14781	1.5
165.12750	1.6
169.15895	1.4
170.11488	1.5
173.13182	2.7
175.14792	2.6
176.15034	1.5
177.00713	2.1
177.09032	1.2
177.16342	2.7
181.12231	1.5
189.16205	1.3
193.12199	1.5
193.15923	1.6
194.16267	1.5
201.16345	2.4
211.16930	5.5
212.17334	3.0
217.15952	1.4
221.47121	1.3
226.15869	1.3
226.21873	1.5
238.48195	1.2
260.14539	1.7
260.64603	1.6
271.24066	1.6
289.25171	7.9
295.26340	5.4
307.26248	16.2
325.27274	7.4
344.12762	1.6
355.21243	1.7
385.32275	1.3
516.03857	1.8
523.28912	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	522.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98345	1.8
53.03933	3.9
55.01862	2.2
55.05508	24.1
55.61596	1.8
57.07069	5.3
59.04993	3.2
67.05497	20.6
69.03418	9.2
69.06753	2.4
69.07060	32.9
71.02949	2.1
71.04990	27.3
79.05487	31.5
81.03397	2.5
81.07039	59.4
83.04971	8.6
83.08619	10.4
83.18229	2.5
85.06535	9.0
91.05462	53.6
92.08627	5.0
93.07027	100.0
95.04972	22.4
95.08596	57.3
97.06515	10.6
97.10133	2.5
99.04438	31.6
103.68998	2.1
105.07021	91.2
106.07816	3.3
107.08580	77.4
109.06531	21.4
109.10154	35.7
111.08067	2.6
117.07017	11.6
119.08566	77.5
121.06507	19.2
121.10135	53.1
122.60659	1.9
123.08042	12.7
123.11684	9.8
125.06027	2.3
129.06967	3.2
130.07748	3.9
131.08549	20.4
133.06451	3.2
133.10110	26.5
135.08034	4.8
135.11681	52.8
137.05960	35.5
137.09610	11.1
143.08586	3.6
145.10120	34.9
147.11674	28.9
149.09595	13.5
149.13252	9.1
151.11177	2.3
152.08290	13.0
157.10156	9.2
159.11673	25.1
161.09583	4.1
161.13255	17.3
163.11159	10.9
173.13292	5.3
175.11153	3.4
175.14809	26.3
177.16356	5.3
181.12181	24.7
189.16458	2.7
191.14220	2.3
191.17924	48.1
193.15874	13.2
201.16376	15.0
203.17896	2.8
207.13737	15.9
217.15854	3.1
219.17447	42.2
231.98119	2.6
232.00443	2.3
237.18466	35.2
393.39932	2.4
435.24472	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	522.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81656	2.9
55.05500	15.8
56.62780	2.3
57.07061	13.7
57.90345	2.5
60.31623	2.5
61.85158	2.4
67.05503	28.1
69.03419	2.8
69.07053	38.3
69.10143	2.5
69.66160	2.4
71.04955	3.3
74.29767	2.4
77.25091	2.4
79.05481	33.7
81.06595	3.9
81.07043	66.0
83.08601	11.2
85.06535	11.0
91.05447	37.6
93.07028	100.0
95.04947	64.9
95.08588	60.6
97.06503	4.4
97.10144	3.1
105.07018	85.6
107.08586	83.6
109.06507	6.1
109.10152	51.0
117.06986	26.5
119.08562	74.3
121.06489	5.4
121.10128	80.4
123.07986	3.7
123.11710	21.1
123.12434	3.1
130.07707	10.8
131.08556	33.2
133.10110	37.9
134.10909	3.4
135.08040	21.9
135.11681	70.7
136.12483	6.5
137.09610	4.6
139.11127	2.8
143.08534	3.9
144.09283	3.5
145.10112	76.0
147.11676	38.1
149.13239	53.1
150.13994	3.3
157.10176	4.8
159.11661	45.0
161.13203	22.5
163.11206	11.1
173.13235	4.5
175.11107	4.8
175.14798	34.2
176.15573	3.6
177.12729	30.1
177.16296	6.8
178.17160	10.5
189.16403	4.2
191.17937	41.2
201.16420	51.0
203.17952	58.8
205.19479	30.3
211.30220	2.9
219.17455	69.6
220.18158	21.4
221.19026	3.3
237.18465	45.0
239.36090	3.0
241.30836	3.2
274.59320	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30307	0.5
53.03941	0.7
55.01871	6.5
55.05507	5.1
55.09289	0.5
56.43161	0.5
56.52028	0.7
57.03432	13.1
57.07070	0.8
59.05003	2.0
61.02921	6.2
64.33173	0.6
67.05491	5.2
69.03422	19.5
69.07063	12.9
71.01335	1.4
71.04980	7.4
73.02499	0.9
73.02902	16.6
79.05476	5.8
81.03392	3.0
81.07042	17.1
81.07480	1.1
83.04977	1.0
83.08600	8.0
84.04488	3.5
85.02895	36.5
85.06524	2.5
87.04455	3.5
90.62417	0.6
91.03954	1.1
91.05460	3.7
92.08940	1.1
93.07029	16.3
95.04941	3.8
95.08005	0.9
95.08590	18.9
97.02872	22.9
97.06516	14.0
97.10133	2.1
98.95169	0.7
98.97567	1.1
99.04430	3.6
99.08101	2.4
103.03937	1.0
105.03381	1.1
105.07028	8.2
107.08588	17.8
109.02862	3.1
109.06507	10.9
109.10140	11.8
111.08066	3.4
111.11694	2.9
111.12412	0.7
115.03924	9.8
115.07534	1.1
119.08567	17.6
119.67721	0.6
121.06461	0.6
121.10118	11.2
123.04375	0.8
123.08040	9.8
123.11689	19.3
125.09622	1.1
126.05500	3.4
127.03911	8.9
133.04936	8.9
133.10118	32.6
135.04411	3.4
135.08093	0.6
135.11674	24.9
136.12050	0.7
137.05962	1.0
137.09610	6.7
137.13219	0.9
138.05502	3.6
139.11153	0.7
141.12810	0.9
145.04996	5.6
145.10100	1.1
147.11676	3.5
149.13258	17.1
151.03880	0.9
151.11150	0.8
153.12749	3.9
155.10631	1.3
157.10068	0.7
163.05988	0.9
165.12628	0.9
175.14803	44.5
191.14403	0.8
193.12248	1.1
193.15863	39.8
203.17888	1.1
204.08505	0.9
211.16914	100.0
219.10233	1.3
223.05957	1.1
241.06911	0.8
259.08096	1.0
259.63995	0.8
305.24860	0.6
343.15375	1.0
373.22003	1.3
473.51413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06100	0.4
55.05503	4.9
56.05017	2.1
56.35850	0.4
57.07062	2.4
57.77662	0.5
58.06585	1.1
60.07859	1.1
60.08150	23.6
67.05477	5.3
68.89255	0.4
69.03420	0.6
69.07063	6.1
71.04987	0.4
71.07358	7.3
73.97246	0.4
79.05472	4.2
81.07038	9.9
83.04977	0.6
83.08600	2.3
85.06554	0.6
85.36993	0.5
86.09689	75.1
86.57823	0.6
91.05449	5.6
92.08678	1.2
93.07031	8.4
95.04946	2.9
95.08588	6.4
97.06528	0.5
97.10124	0.7
98.98428	5.4
104.10724	100.0
105.07019	9.3
107.08569	8.4
109.06515	1.3
109.10153	5.6
111.08072	0.8
115.42301	0.5
117.07005	2.0
119.08570	6.5
121.06480	2.1
121.10106	5.1
123.08041	0.7
123.11713	1.1
124.99976	43.2
131.08554	4.0
133.10141	6.2
135.08026	2.6
135.11667	3.3
142.54903	0.5
143.08514	1.2
145.10129	6.9
147.11688	2.7
149.13261	1.1
157.10114	2.2
159.11624	4.3
161.09616	1.2
161.13280	0.7
163.01489	1.1
165.04639	0.5
165.12804	0.8
173.09654	0.7
173.13254	1.2
175.11137	0.9
175.14796	1.2
184.07303	99.9
187.14896	0.7
189.16348	0.7
190.38417	0.6
191.14369	0.7
193.15877	0.6
199.14648	0.6
201.16296	2.2
217.15822	1.1
219.17429	3.6
233.15295	0.7
235.16940	2.9
251.16376	1.2
258.11084	0.6
367.42630	0.6
374.93130	0.6
504.34314	6.4
522.35443	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	521.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61801	0.2
55.05503	0.5
72.37524	0.3
74.02412	0.6
90.94851	0.3
91.05422	0.4
92.09290	0.4
115.05436	1.3
117.05750	0.6
117.06986	1.2
118.06517	22.1
123.11698	0.3
130.06485	1.8
132.08061	7.7
142.06476	2.9
143.07274	2.4
144.04427	0.6
144.08069	16.9
146.05988	89.0
147.06358	0.3
151.11165	0.6
159.09145	8.9
160.07559	1.2
170.05966	6.0
174.96834	0.5
182.06204	0.3
188.07031	100.0
189.07442	0.6
205.09695	29.4
206.10039	0.4
231.05031	0.3
233.36151	0.3
263.07257	0.5
283.06158	0.3
290.02164	0.3
313.53036	0.3
323.09384	0.5
328.79675	0.4
341.10257	2.1
461.14572	1.1
534.08405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01841	1.6
55.05307	1.0
55.05504	16.2
57.03429	2.8
57.07050	8.0
59.04994	8.3
61.02924	1.8
66.89160	1.1
67.05487	18.1
69.03403	8.2
69.07056	100.0
71.04990	10.1
73.06525	2.2
76.56235	1.3
79.05477	32.5
81.03379	1.6
81.06597	2.1
81.07040	42.8
83.04948	5.3
83.08610	14.3
85.02896	11.2
85.06519	2.5
91.05463	24.5
92.09295	1.8
93.07024	75.4
95.04936	8.2
95.08580	43.3
97.02872	7.5
97.06500	17.0
98.97543	2.2
99.04428	2.2
99.08087	1.9
105.07016	12.6
107.08576	74.2
109.02901	1.4
109.06483	7.1
109.10139	37.7
110.48687	1.1
111.08051	7.3
111.11705	23.9
113.09604	1.9
115.03882	1.2
116.98542	1.2
117.07001	4.8
119.08556	35.3
121.10130	21.0
122.10473	4.7
123.11692	11.5
125.09601	2.0
131.08586	1.2
133.10107	11.3
135.11670	55.0
137.05966	6.1
137.09589	33.2
139.11111	1.5
145.10143	2.0
147.11591	2.1
149.09709	1.2
149.13182	1.5
151.14803	1.8
153.12737	32.3
154.21072	1.3
155.10645	17.9
157.10121	1.3
159.11577	1.5
163.14835	1.5
171.13765	9.9
173.11687	2.7
175.14676	1.2
286.58145	1.7
287.23596	2.2
293.24597	10.4
305.24713	15.6
323.25708	11.8
341.26874	4.5
438.40295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81721	0.4
55.01858	5.3
57.03423	6.7
60.78691	0.4
61.02910	32.2
62.90975	0.4
69.03413	20.2
71.04960	1.9
72.25026	0.3
73.02896	16.5
81.03412	4.4
85.02885	100.0
87.04446	1.6
91.03931	38.0
93.76693	0.3
94.36817	0.3
97.02863	34.1
99.04436	7.0
100.47098	0.4
100.70608	0.4
101.02373	3.3
103.03921	0.6
109.02864	8.6
113.65482	0.4
115.03928	3.4
119.53080	0.4
127.03883	42.4
138.21495	0.4
145.04930	38.4
163.05974	44.4
271.07974	0.5
289.09192	0.6
307.09973	0.6
325.11218	12.4
325.15085	0.4
343.12399	0.5
398.64044	0.4
428.67203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81269	0.6
55.01873	5.7
55.05500	3.1
56.79630	0.6
57.03178	0.7
57.03432	13.6
57.07076	1.2
59.04985	3.0
61.02917	5.4
67.05489	4.2
69.03420	13.4
69.07062	10.0
71.01330	2.5
71.04983	9.6
73.02905	11.4
79.05466	4.1
81.03400	2.9
81.07044	13.7
83.04970	1.3
83.08594	4.0
84.04502	0.9
85.02896	32.2
85.06521	0.9
87.04442	1.3
91.05473	2.7
93.07028	12.0
95.04952	1.5
95.08590	15.5
96.08942	0.6
97.02873	19.8
97.06520	9.2
97.10152	1.0
99.04439	1.3
99.08079	2.4
101.02357	0.7
103.03906	1.2
105.07024	4.6
106.89407	0.7
107.08584	11.9
108.11262	0.6
109.02881	2.3
109.06493	6.0
109.10149	9.2
111.08059	1.2
115.03925	7.5
115.07541	1.4
119.08562	11.1
121.10106	9.3
123.08047	7.8
123.11681	23.9
125.09612	0.9
126.05484	0.6
127.03915	6.0
133.04964	7.4
133.10114	22.7
135.11685	21.0
137.05951	0.9
137.09602	3.9
137.13274	2.4
141.12689	0.6
145.04965	5.6
145.10158	0.7
147.11710	2.8
149.13235	16.6
151.11211	1.2
153.12737	2.9
155.10721	1.0
163.05983	1.0
165.12708	0.7
167.14337	0.6
175.05821	0.6
175.14801	22.7
184.25610	0.6
190.16344	0.7
193.15858	20.1
193.17519	1.0
205.69530	0.6
211.16913	100.0
241.07346	0.6
259.07941	2.3
277.08881	0.9
311.83282	0.6
373.22195	2.6
376.37085	0.6
381.84879	0.6
433.74326	0.7
468.51395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42162	0.5
55.01860	3.4
55.05498	1.3
57.03431	7.5
59.04980	0.9
61.02900	2.9
67.05486	2.5
69.03413	10.9
69.07044	2.5
71.01328	1.1
71.04976	1.4
73.02898	7.3
74.76512	0.5
77.38798	0.6
78.35445	0.5
79.05455	2.4
81.03398	0.9
81.07040	5.1
83.04949	0.8
83.08579	0.7
85.02887	17.5
87.04440	0.7
91.05430	4.5
93.07002	4.6
95.04938	1.1
95.08585	6.8
97.02871	8.6
97.06488	3.3
103.03903	0.7
105.07011	12.1
107.08569	7.8
109.02901	0.8
109.06539	4.6
109.10136	8.1
115.03918	4.3
117.06999	1.3
119.08557	16.5
121.06483	0.8
121.10110	4.9
123.07986	1.4
123.11687	1.1
127.03896	4.3
129.06972	2.5
131.08542	45.7
133.04930	3.2
133.06418	0.6
133.10081	8.9
135.08063	2.5
135.11671	1.3
136.05064	0.5
137.05959	1.3
143.08540	3.5
144.09296	2.4
145.04912	2.8
145.10118	8.5
147.11662	3.4
149.09621	2.6
149.13234	2.9
156.09317	2.6
158.10869	6.5
159.11720	0.9
161.09479	0.6
161.13232	1.3
163.05984	1.0
163.11168	0.7
163.14777	1.4
171.11646	5.2
173.13219	100.0
174.13568	0.7
175.14761	8.0
183.11723	0.9
191.14273	38.4
209.15346	7.0
219.13765	0.7
272.09537	0.5
305.17374	0.7
341.19940	0.6
371.20401	1.3
467.48123	0.7
519.30676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
56.05039	0.7
58.06582	1.2
59.44531	0.7
60.08157	20.8
67.05495	3.8
69.07049	2.0
71.07351	6.9
79.05456	1.9
81.07040	7.7
85.53952	0.7
86.09694	66.4
91.05470	1.2
93.07019	3.9
95.08592	5.2
95.13813	0.8
98.98457	5.4
104.10730	89.8
105.07001	3.3
107.08607	1.1
109.10188	1.4
109.10990	0.7
119.08573	1.3
121.10144	0.8
124.99989	41.6
129.06975	0.9
131.08566	1.8
133.10115	1.5
143.08545	0.8
145.10143	3.9
147.11707	1.3
157.10126	1.9
159.11662	1.1
184.07309	100.0
199.22418	0.8
283.04053	0.8
419.11157	0.8
502.32758	5.4
520.33966	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59057	0.1
53.03929	0.2
55.05505	0.9
56.05029	0.4
57.03428	0.2
58.06594	0.3
59.99566	0.1
60.07863	0.4
60.08157	8.7
60.58734	0.1
67.05496	2.0
69.07060	1.3
71.04963	0.8
71.07358	3.3
72.10553	0.2
79.05490	1.5
81.07047	2.1
83.04958	0.3
85.06507	0.2
86.09696	45.4
86.36094	0.2
91.05460	1.4
93.07032	2.3
95.04951	0.4
95.08612	1.6
97.06506	0.3
98.98454	3.6
104.10748	3.2
105.07031	2.3
107.04937	0.2
107.08594	1.8
109.06494	0.3
109.10164	1.7
117.06977	0.7
119.08526	1.6
121.06499	0.4
121.10082	0.4
121.45695	0.2
124.99989	34.4
128.06194	0.2
129.06984	0.3
129.35956	0.2
131.08559	1.4
133.10107	0.9
135.08040	0.4
135.11699	0.3
142.07755	0.3
143.01019	0.3
143.08528	0.4
145.10095	2.1
147.08018	0.2
147.11679	0.8
147.12776	0.2
149.09583	0.3
149.13213	0.4
157.10078	1.0
159.11667	1.0
161.09555	0.2
173.09615	0.2
173.13249	0.2
175.11238	0.2
175.14806	0.3
184.07318	100.0
185.07755	0.2
188.73386	0.2
196.50769	0.2
197.13165	0.3
199.14740	0.3
201.16391	0.3
215.14359	0.2
217.15802	0.2
233.15376	0.4
457.66602	0.2
485.30179	0.2
502.32443	1.2
508.32303	0.2
520.33862	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.239
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82285	0.1
78.47829	0.1
79.05473	0.9
85.02908	0.7
91.05480	0.3
93.07027	1.0
94.62491	0.2
97.02865	0.1
101.56858	0.1
103.05453	5.2
107.04943	1.9
120.08092	100.0
121.08437	0.3
122.29091	0.2
131.04916	3.0
149.05960	1.4
166.08617	25.6
254.78743	0.2
263.60001	0.1
301.16202	0.1
325.61481	0.1
361.29004	0.2
443.16992	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01854	0.8
55.05491	3.9
56.49673	0.7
57.03427	15.2
61.02914	1.2
67.05484	4.1
68.84538	0.8
69.03412	6.0
69.07063	2.2
70.57018	0.8
71.01355	1.0
71.04977	83.0
73.02888	3.7
75.04459	3.6
79.05457	4.4
81.03400	1.4
81.07037	5.8
83.04952	8.5
85.02891	100.0
87.04448	3.8
91.05464	7.7
92.08791	1.9
93.07029	7.2
95.04953	5.5
95.08585	5.8
97.02879	7.0
97.06508	2.1
99.04437	3.7
101.06027	1.0
105.07023	12.8
107.04205	1.2
107.04942	25.6
107.08588	13.8
109.06507	2.1
109.10140	11.4
111.04422	3.7
111.08037	1.0
115.05441	1.5
117.07036	1.4
119.08581	7.8
121.10104	8.4
123.08134	2.8
123.11694	1.7
125.09631	1.0
127.03899	4.1
129.05444	18.9
129.06937	1.5
131.08553	10.5
133.10115	33.9
135.08023	9.4
135.11676	3.9
137.05937	1.4
143.08551	1.2
145.04971	1.3
145.10106	6.3
147.06468	6.7
147.11607	3.3
149.13219	1.7
151.07503	5.4
152.07858	1.3
157.10117	1.0
159.08052	6.4
159.11629	1.4
161.09578	1.5
162.34906	1.1
163.07509	19.0
163.14758	3.9
164.09157	1.1
167.06995	32.0
170.07124	0.9
171.14047	0.9
173.09413	1.1
173.13255	10.2
175.07530	1.9
180.07680	1.7
181.04953	1.3
187.07500	7.5
189.09123	2.0
191.14276	19.9
195.10147	24.0
203.10611	1.0
204.07817	2.2
205.08658	1.3
207.10173	7.4
209.15314	14.2
219.10141	4.9
221.11655	5.1
225.11229	2.2
231.10057	1.7
249.11148	1.6
305.13629	1.6
335.13095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22140	0.9
53.03936	6.6
54.46926	1.0
55.01870	13.7
55.05505	13.5
57.03432	12.1
57.07065	1.4
61.02913	5.5
65.29486	0.9
67.05495	37.6
68.99796	1.9
69.03421	35.8
69.07053	17.4
71.04986	18.6
73.02911	8.4
73.40144	1.0
79.05476	26.5
81.02931	1.8
81.03401	34.9
81.07043	29.6
83.04954	8.0
83.08600	2.5
85.02892	100.0
85.06511	2.3
87.00809	35.2
87.04451	6.6
91.05463	18.3
93.07027	36.8
95.04973	9.6
95.08587	35.9
97.02876	32.0
97.06515	10.6
97.34783	1.1
99.04433	26.9
101.02362	5.5
103.03928	1.8
103.05443	1.2
105.01844	19.6
105.07013	18.0
107.04942	5.2
107.08575	17.4
109.02866	25.7
109.06484	4.7
109.10146	21.3
111.04391	4.3
111.08031	1.8
115.03878	8.1
117.01843	1.6
117.07011	13.0
119.08555	10.2
121.06466	8.3
121.10121	17.5
123.08045	5.9
123.11684	6.3
125.05953	1.4
125.09529	1.3
127.03901	42.5
127.19090	1.3
129.01834	2.5
129.07018	2.0
131.08511	12.3
133.06509	1.1
133.10098	8.3
135.08054	8.2
135.11678	6.8
137.09583	7.7
139.07487	1.4
139.11163	12.5
141.05499	1.2
141.06972	1.2
143.08549	2.2
145.04977	11.0
145.10104	7.7
147.08049	2.3
147.11671	4.6
149.09616	4.6
151.07578	2.5
151.11147	1.6
153.09021	1.3
153.12767	2.0
153.20534	1.4
155.08553	1.4
157.10109	5.5
159.02902	7.5
159.11670	24.9
163.07500	1.5
163.11217	2.2
165.09073	2.4
167.06981	1.5
171.03094	1.2
173.13277	9.3
175.11145	1.5
177.09015	1.6
177.12730	4.9
183.11655	4.6
189.06853	1.2
191.14323	12.7
195.13734	1.6
201.12720	7.2
209.15378	2.2
213.04076	2.1
219.13773	31.0
231.04988	5.6
237.14835	22.4
255.15836	16.5
321.40485	1.3
335.88727	1.5
345.17014	1.6
355.46216	1.1
467.19125	1.9
520.29248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54867	0.2
53.00296	0.4
53.03932	0.6
55.01866	1.4
55.05506	3.3
55.63809	0.3
55.71997	0.3
57.03428	14.9
59.04984	0.8
60.04509	0.6
61.02911	1.8
65.03917	0.4
65.23240	0.3
69.03402	3.7
71.01354	1.1
71.04976	96.0
72.05324	0.3
73.02895	3.1
75.04456	4.6
79.05428	0.4
81.03405	0.7
81.07040	0.6
83.04463	0.5
83.04964	13.0
85.02889	100.0
86.78717	0.3
87.04455	1.9
91.05438	1.2
93.06997	0.5
95.08543	0.4
97.02881	3.4
98.46104	0.3
99.04439	3.0
103.05457	5.6
105.07008	3.0
107.04937	6.9
107.08567	0.5
109.02847	1.3
109.10126	0.4
111.04446	3.7
115.03908	0.4
115.05443	1.4
117.06973	0.7
119.08556	0.5
121.06467	0.4
121.10139	0.4
127.03873	1.8
129.05452	23.7
131.04880	1.6
133.06435	0.5
133.10126	0.5
135.08028	6.6
139.03862	3.4
144.06540	1.3
145.04889	0.5
145.06470	0.8
146.08076	1.6
147.06497	10.1
147.07753	0.6
147.07980	0.5
154.06227	28.3
157.06154	0.3
161.05910	0.6
162.07596	1.3
163.07506	20.4
164.09135	3.6
167.06993	1.9
173.05899	1.3
173.13170	0.4
175.07492	1.3
178.75377	0.3
180.07722	1.6
180.08926	0.3
187.07629	0.6
193.08546	1.7
195.10132	43.8
204.07706	0.4
207.10120	2.7
213.08997	0.7
219.10164	0.7
221.08046	2.0
259.13193	1.3
260.44101	0.4
261.11209	0.6
273.31531	0.4
287.12570	1.6
305.13852	4.9
326.14233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.8
57.03431	9.8
57.07059	2.9
59.04993	1.0
61.02911	3.0
62.81199	0.7
67.05505	6.1
68.75363	0.8
69.03419	15.5
69.07051	1.8
71.01318	1.0
71.04967	1.0
73.02900	16.5
73.55967	0.7
79.05467	5.9
81.03389	3.3
81.07036	19.3
83.04985	1.7
83.08600	0.8
85.02891	100.0
85.06530	1.8
87.04482	0.9
91.05463	13.8
93.07020	7.3
95.04945	3.1
95.08587	9.0
97.02865	17.4
99.04449	1.1
103.05439	0.9
105.07014	36.0
105.15942	0.7
107.08585	11.7
109.02856	1.8
109.06498	17.3
109.10134	9.4
111.04383	1.1
111.16510	0.7
111.84177	0.8
115.03910	5.8
117.06992	7.0
119.04942	1.6
119.08563	47.8
121.06480	1.4
121.10125	15.8
123.08039	8.4
123.11682	69.9
125.05972	7.8
127.03908	6.1
129.07022	0.9
130.07762	3.3
131.08537	6.6
132.09271	1.2
133.05000	1.3
133.06444	4.7
133.10094	1.2
135.08052	1.7
137.09596	1.2
143.08542	3.8
145.04944	4.0
145.10101	19.6
146.10788	0.8
147.04408	3.3
147.08038	5.0
147.11670	47.2
149.09590	8.0
151.07552	5.4
156.09328	7.2
157.10057	0.8
159.08028	1.8
159.11659	2.6
160.08817	1.0
161.09496	1.1
161.13235	3.1
163.05978	1.6
163.11188	4.9
165.12685	1.7
167.10606	1.2
171.11667	4.2
174.10457	3.0
189.12714	55.3
207.13770	76.6
225.14836	29.8
259.08185	1.6
288.32062	0.8
295.10095	1.8
321.16843	1.1
339.17853	1.8
369.19043	3.2
436.54620	0.8
519.24225	3.2
527.17810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71469	0.3
53.03941	0.5
53.78321	0.4
55.05500	2.6
55.36464	0.3
56.65305	0.4
57.07065	1.1
60.06878	0.4
63.83516	0.4
67.05484	3.9
69.03409	1.0
69.07055	7.6
71.04974	0.7
73.41441	0.4
76.55441	0.5
77.03911	0.4
79.05473	4.2
81.07033	8.0
83.04963	1.0
83.08601	0.9
85.06522	0.5
91.05453	5.5
93.07027	10.4
95.04932	2.7
95.08595	9.7
97.06519	3.0
97.10151	0.6
103.05449	43.1
105.07010	12.3
106.07327	0.7
107.08592	8.1
108.61123	0.6
109.06490	2.7
109.10126	5.0
111.08075	0.7
113.09674	0.6
115.05338	0.5
117.06989	2.4
119.08562	11.5
120.08864	0.6
121.06485	0.8
121.10119	5.7
123.08032	2.3
123.11671	5.3
129.06993	1.7
131.04906	100.0
131.08524	3.6
132.08900	0.6
133.10121	4.5
135.08034	3.6
135.11679	3.0
137.09604	3.6
141.06961	0.5
143.08566	2.0
145.10117	5.1
145.13147	0.5
146.10538	0.5
147.11682	3.1
149.09569	0.7
149.13258	2.0
151.11209	0.8
155.08533	2.0
157.10118	2.7
159.11678	3.4
161.09602	1.1
161.13307	1.2
167.08562	0.7
169.10095	2.0
171.11647	1.9
173.13199	0.9
175.14839	3.0
177.12729	2.1
177.16399	0.8
181.10059	0.6
183.11667	1.9
185.13223	0.8
191.17909	0.5
193.15845	16.8
197.13260	0.8
199.14790	0.8
201.16444	0.9
209.13179	0.6
211.14845	0.6
217.15901	0.8
219.17450	2.4
224.15565	1.9
225.16368	0.9
235.16725	0.6
237.16368	0.6
251.17870	2.5
255.17374	0.6
267.21005	3.3
281.22693	0.6
325.25220	2.5
327.22980	0.8
335.27240	4.8
353.28342	18.8
364.22818	0.6
371.29446	5.5
395.27179	0.6
501.33582	7.6
532.68823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05506	4.0
57.07064	2.6
59.50735	0.5
67.05502	5.9
69.03415	4.2
69.07059	6.0
71.04965	0.8
79.05479	7.2
81.07035	15.4
83.04961	0.6
83.08601	1.0
89.70657	0.6
91.05463	11.7
92.05813	1.0
92.09315	1.9
93.07023	16.8
95.04938	4.0
95.08583	11.8
95.87457	0.7
97.06508	1.3
103.05454	39.1
105.07012	27.5
106.07326	2.3
107.08572	14.5
109.06512	4.0
109.10154	7.3
111.04427	0.8
111.08083	1.4
117.07005	4.9
119.08548	29.6
120.08895	3.8
121.06496	1.2
121.10137	7.0
123.08047	2.6
123.11688	3.3
125.09617	2.5
128.06227	0.9
129.06993	2.4
131.04906	100.0
131.08577	6.7
133.06482	0.7
133.10089	8.3
135.08057	5.2
135.11681	4.3
136.08292	0.6
137.09599	2.7
141.06921	0.6
143.08565	3.2
144.09230	0.7
145.10123	12.2
146.10446	2.6
147.08026	1.0
147.11664	5.4
149.09624	4.8
149.13255	2.8
151.11192	0.9
155.08536	1.2
157.10150	5.9
159.11668	4.7
161.09648	3.3
161.13231	4.2
162.10049	0.9
163.11102	1.1
169.10110	2.5
171.11728	1.2
173.13306	3.7
175.14854	5.9
177.12708	1.1
177.16254	0.7
183.11621	1.2
185.13344	0.8
187.14752	1.2
189.16389	0.8
193.15906	2.9
195.11598	0.7
197.13223	1.2
199.14796	1.2
201.16397	3.3
203.14336	0.9
203.17807	4.5
211.14798	1.0
219.17372	3.1
220.17856	0.8
233.15324	4.1
234.15663	1.5
235.16980	1.0
279.20880	0.9
333.31519	0.8
335.27161	1.4
341.85129	0.7
351.23422	0.8
353.28247	4.9
359.36295	0.7
371.29257	1.1
501.33551	9.3
519.34863	0.7
531.84698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37643	0.1
55.05495	0.3
56.05034	0.6
57.03435	0.2
58.06597	0.3
60.08152	9.1
67.05483	1.1
69.07044	0.3
70.06588	0.1
71.07358	4.4
71.29659	0.1
79.05481	1.0
81.07037	1.3
83.04979	0.2
86.09690	48.0
89.95130	0.1
91.05463	0.9
93.07022	1.4
95.04937	0.2
95.08585	0.8
98.98448	4.1
103.05442	0.2
104.10719	3.4
105.07015	0.9
107.08573	0.8
109.10139	0.2
114.37994	0.2
117.07045	0.2
119.08571	0.3
121.06509	0.2
121.10156	0.2
124.99981	35.0
128.32658	0.2
129.07037	0.2
131.04872	0.5
131.08543	0.3
133.10074	0.2
135.08060	0.1
137.05937	0.2
142.07788	0.1
143.01039	0.3
143.08571	0.2
145.10120	0.5
157.10179	0.1
159.11671	0.3
163.11165	0.1
184.07309	100.0
210.23303	0.1
239.09694	0.1
258.11142	0.2
492.33246	0.2
500.31036	0.8
518.32214	3.0
535.82416	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	518.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.1
55.92755	2.4
59.04988	5.9
67.05490	18.9
69.07065	14.7
79.05470	13.2
81.07052	26.0
91.05453	23.9
92.08633	3.3
93.07035	92.6
94.20475	3.3
95.04948	3.9
95.08593	37.2
105.07012	47.8
107.08572	21.2
109.10148	14.7
117.07024	3.8
119.08578	50.0
121.10135	100.0
123.08051	4.8
123.11641	4.1
131.08528	5.4
133.10110	18.0
135.11647	6.1
145.10152	7.6
146.34361	3.1
147.11664	12.9
149.13245	5.0
159.11635	6.5
159.51497	3.0
161.13182	6.6
169.27946	3.1
175.14728	6.5
191.17973	7.8
193.15860	6.3
201.09207	3.6
201.16393	4.2
203.17950	5.9
219.17430	47.7
221.18964	4.7
229.77251	3.4
237.18449	18.1
316.16220	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	519.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81952	0.3
62.36946	0.2
66.43803	0.2
68.34763	0.2
68.67691	0.2
69.03381	0.2
72.03125	0.2
74.02420	0.5
80.01145	0.2
81.81930	0.2
85.02905	1.0
90.57255	0.2
91.05450	0.6
97.02885	0.3
106.61448	0.3
115.05430	1.3
117.05720	0.4
117.07021	1.5
118.06521	22.3
128.04967	0.2
130.06502	1.8
132.08063	6.4
142.06517	2.7
143.07300	2.8
144.04405	0.4
144.06918	0.5
144.08066	15.8
146.05992	80.9
147.06372	0.3
159.09152	7.4
160.07564	1.4
170.05992	5.8
188.07037	100.0
189.07288	0.9
205.09695	24.7
339.11768	0.9
408.27841	0.3
416.63123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01864	5.5
55.05499	3.5
57.03429	11.0
57.07061	2.2
59.04984	1.3
61.02633	0.4
61.02913	4.6
64.33916	0.6
67.05491	5.9
69.03416	38.5
69.07052	2.3
69.53260	0.4
71.01347	5.1
71.04969	0.9
73.02902	7.8
73.53348	0.5
79.05471	3.8
81.03395	3.7
81.07043	16.2
83.04958	1.0
83.08627	0.9
85.02891	100.0
85.06537	1.0
87.04443	2.4
91.05455	9.0
93.07006	5.2
95.04940	1.3
95.08588	6.7
96.50031	0.6
97.02869	29.0
99.04427	2.2
99.55888	0.7
103.03938	0.8
105.07014	29.0
107.08583	8.1
109.02863	2.9
109.06507	10.2
109.10138	12.2
111.04441	1.3
115.03915	20.3
117.06991	3.3
119.08559	35.4
119.80733	0.5
121.06506	0.8
121.10119	13.5
123.08071	5.2
123.11685	61.4
125.05984	8.4
127.03869	6.1
129.07010	1.3
130.07770	1.1
131.08501	5.5
132.09305	1.2
133.04919	5.5
133.06453	3.3
133.10126	1.1
135.08015	0.8
137.05936	1.1
139.07576	1.2
141.07013	1.0
143.08560	2.8
145.04924	6.9
145.06525	0.7
145.10104	16.9
147.00752	0.6
147.04369	2.9
147.08023	6.1
147.11670	40.3
149.05919	0.6
149.09622	8.6
151.07521	6.9
156.09311	6.9
159.08076	1.2
160.08769	0.8
161.09515	0.9
161.13234	1.0
163.06013	3.8
163.11147	3.4
165.12726	3.6
167.10645	1.4
171.11639	5.1
174.10385	3.4
189.12708	50.2
207.13770	70.4
225.14828	15.7
259.07983	1.3
279.15952	1.9
291.15826	2.5
295.10120	0.7
321.16882	7.8
339.17963	34.1
351.17990	1.3
369.18811	2.6
387.19962	0.7
467.45700	0.6
519.24408	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	518.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01867	13.8
55.05503	1.4
55.95366	0.8
57.03430	21.1
57.07075	1.0
59.04980	1.8
61.02913	13.6
67.05495	1.6
69.03415	31.8
69.07036	1.2
69.24593	0.7
71.01327	3.7
71.04967	3.3
72.98930	0.7
73.02897	27.8
76.05048	0.7
79.05473	34.1
81.03399	7.3
81.07034	4.9
83.04954	1.1
85.02891	91.1
85.06531	30.9
87.04443	5.4
87.59814	0.8
91.03925	4.7
92.09340	1.7
93.07001	5.1
95.04975	2.5
95.08537	2.8
97.02870	38.8
97.06515	0.9
99.04427	6.5
103.03894	2.1
105.02685	1.5
105.03371	31.8
105.07011	1.4
107.08575	1.9
107.81374	0.9
109.02876	7.6
109.06503	1.7
115.03905	14.6
119.08524	1.8
121.06362	0.8
121.10115	0.7
123.04407	100.0
127.03880	20.1
132.06560	0.9
133.04961	11.5
133.10081	1.5
135.07977	1.3
145.04947	29.4
145.10133	1.0
151.07497	1.2
163.06009	10.5
175.11125	0.8
178.99220	0.9
189.09108	3.4
199.09689	1.4
207.10315	1.0
223.05936	1.0
229.10742	4.1
229.89377	0.9
241.07005	1.0
259.07932	1.1
285.09656	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
56.05030	0.9
57.60496	1.0
58.06587	1.3
60.08154	25.6
67.05499	6.0
71.04964	1.2
71.07360	9.4
79.05475	3.9
81.07030	9.6
86.09694	72.4
88.07503	1.0
91.05436	4.1
93.07037	6.4
95.04967	2.0
95.08592	2.6
98.98453	5.0
103.05495	1.3
104.10732	94.5
105.07033	5.4
107.08564	2.5
109.10155	1.8
119.08591	5.7
121.10152	1.7
124.99987	44.5
128.06189	1.3
131.04898	1.1
131.08569	4.2
133.10118	2.4
145.10097	3.8
147.11699	1.6
150.62248	1.1
184.07317	100.0
189.26076	1.1
254.40572	1.0
500.31009	6.0
518.32367	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05503	20.4
57.03429	9.9
57.07067	5.2
61.02924	2.5
67.05492	84.7
69.03421	7.2
69.07053	21.2
71.04992	6.5
73.02904	1.6
75.04465	1.5
79.05475	63.5
81.03416	3.0
81.07040	100.0
82.07412	1.8
82.09026	1.1
83.04977	7.1
83.08615	8.6
85.02923	1.9
85.06525	3.1
91.05463	40.8
93.07024	76.0
95.04948	15.4
95.08584	72.0
97.02898	2.7
97.06520	7.3
97.10152	2.1
99.04430	1.6
103.05436	2.2
105.07015	33.2
107.05016	1.4
107.08581	60.5
107.09307	2.7
109.06514	7.4
109.09405	2.0
109.10139	35.9
111.08068	3.1
117.07005	14.6
119.08566	25.6
119.51210	1.3
121.06439	1.7
121.10123	36.1
123.08022	2.3
123.11707	13.0
123.79287	1.2
129.06990	1.4
130.07796	1.7
131.04910	4.7
131.08557	25.4
133.06477	1.6
133.10114	21.8
135.11670	26.9
137.09598	2.8
137.13255	3.0
139.11192	1.9
142.07822	1.7
143.08569	4.9
145.10088	18.0
147.08084	1.7
147.11681	13.1
149.09596	5.0
149.13214	11.7
151.07513	2.0
151.11157	2.6
157.10135	2.7
159.07919	1.4
159.11661	16.1
161.09727	1.2
161.13248	7.5
163.11209	2.0
163.14847	6.2
171.11618	2.2
173.13222	10.7
175.14838	2.5
177.16339	2.0
179.14301	2.6
185.13306	1.6
187.14867	4.9
189.16359	1.8
191.73129	1.4
197.13286	1.7
201.16408	1.6
219.17607	1.8
243.21021	12.8
261.22122	36.5
279.23141	1.6
292.36847	1.4
335.25845	15.2
353.26715	11.0
479.54404	1.6
497.30887	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	516.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
55.01855	0.7
57.03419	0.8
58.73730	0.2
59.22952	0.1
61.02903	0.9
69.03417	3.1
69.53260	0.2
71.04966	0.2
73.02909	0.2
74.34554	0.2
79.01836	2.2
81.03393	2.7
85.02886	7.5
87.04481	0.3
91.03910	0.3
91.05424	0.2
92.09261	0.4
93.03397	0.2
95.04967	0.2
97.02875	3.6
98.97546	0.3
99.04424	0.3
107.01287	2.6
109.02869	5.8
111.04391	0.4
125.02328	5.3
127.03892	11.8
131.04959	0.3
135.00693	0.2
135.19177	0.2
139.03880	26.5
143.03380	6.4
145.04950	1.2
153.01808	100.0
154.02115	0.3
161.46275	0.2
167.03369	15.2
171.02850	21.3
191.03343	0.2
225.46678	0.2
251.50473	0.2
315.07065	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	516.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60933	1.4
67.05493	2.9
69.07056	3.6
71.08638	3.7
74.09676	1.9
79.05447	1.7
81.07026	2.3
83.08563	1.6
89.08205	1.6
91.05468	3.7
93.07026	11.9
95.04972	1.7
95.08570	2.3
99.30814	1.4
105.07018	29.1
107.08566	8.3
109.10149	9.4
117.07010	2.8
119.04933	2.1
119.08564	11.8
121.06495	29.0
121.10111	2.3
128.06190	1.6
131.08539	6.3
133.10098	17.4
135.08038	21.2
135.11639	7.1
142.07727	11.6
143.08549	6.3
145.06432	1.6
145.10109	80.7
146.07243	8.8
147.08066	7.2
147.11751	6.0
149.09624	2.8
157.10117	23.4
159.11650	15.8
161.09595	100.0
175.11122	42.9
175.14822	6.8
191.17918	9.3
193.15836	17.1
200.15556	1.6
201.16341	35.8
203.14342	3.4
217.15828	35.8
219.17377	7.3
235.12671	1.9
237.18527	10.4
238.21579	6.0
315.85474	1.6
352.40610	1.5
428.74100	1.7
437.74344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03938	1.0
54.82180	0.2
55.01871	0.2
55.05515	0.3
56.96563	0.3
57.03426	0.2
57.07058	0.2
59.04974	0.2
61.89629	0.2
67.05492	1.1
69.03416	0.3
69.07038	0.7
71.04968	0.3
77.03899	0.2
79.05473	1.7
81.07044	2.3
83.04978	1.0
83.08600	0.2
91.05457	2.5
93.07029	2.4
95.04942	3.2
95.08588	1.2
97.06532	0.4
102.04642	0.2
103.05450	60.4
105.04511	0.3
105.07003	2.7
107.08578	2.5
109.06509	0.7
109.10130	0.4
117.06994	0.8
119.08593	2.1
121.06464	0.4
121.10112	0.7
123.08042	0.3
125.05932	0.2
128.06190	0.4
129.06990	0.5
130.07748	0.3
131.04906	100.0
132.05215	0.4
133.10100	1.1
135.11673	0.2
137.05891	0.2
142.07724	0.4
143.08511	1.1
145.10117	1.9
147.07982	0.3
147.11620	0.2
149.09616	0.4
155.08516	0.7
157.10114	0.4
158.07202	0.2
159.08002	1.1
159.11679	0.2
161.05833	0.4
161.09560	0.8
163.11096	0.3
171.08006	0.4
171.11697	0.3
172.08789	0.2
173.09550	0.9
175.07510	0.2
175.11154	0.2
185.13217	0.3
187.07439	0.4
189.08971	0.3
189.12825	0.2
247.09444	0.5
279.08493	0.4
369.11761	3.3
517.27991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69833	0.9
51.84950	1.4
53.00269	1.7
53.03931	2.9
55.01856	1.9
55.05504	24.1
57.03180	1.3
57.03424	7.6
57.07057	5.7
59.50486	1.2
61.02910	4.6
65.03929	1.5
67.05494	99.2
69.03400	2.8
69.07057	21.7
71.04959	2.2
76.56142	1.2
78.17298	1.1
79.05476	57.2
81.03413	1.9
81.07039	100.0
82.07427	1.4
82.90896	1.0
83.04948	2.5
83.08601	9.9
85.02884	5.9
85.06524	1.5
91.03893	1.7
91.05464	38.0
93.07021	77.3
95.04950	8.7
95.08582	73.0
95.09193	2.0
97.02856	1.6
97.06503	5.5
97.10162	2.0
98.30683	1.2
99.08092	1.8
103.05431	2.5
105.07008	28.8
107.04927	1.5
107.08576	48.3
109.06513	3.0
109.10140	34.7
111.08118	1.8
117.07000	11.1
119.08558	25.8
121.10126	40.1
123.08019	1.5
123.11689	11.2
129.06982	4.8
131.04945	3.1
131.08542	26.7
133.10114	18.2
135.07990	2.0
135.11674	27.4
136.11995	1.5
137.13242	2.5
143.08530	2.3
145.10089	18.0
145.91449	1.4
147.08144	1.4
147.11679	11.3
148.11862	1.3
149.09584	2.8
149.13216	16.0
151.11115	1.7
157.10141	2.0
159.11661	15.3
161.13245	11.3
163.14783	8.6
171.11655	2.2
173.13271	11.2
175.14790	2.0
177.16383	1.9
179.14246	1.8
184.47141	1.6
187.14778	7.6
191.14299	1.8
197.15254	1.2
201.16362	2.9
243.21033	21.2
261.22061	45.5
301.21069	1.4
335.25595	12.8
353.26822	11.3
425.27234	1.6
449.04788	1.3
468.78271	1.3
497.30719	2.2
515.36707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
54.27142	0.3
55.01858	0.3
57.03183	0.4
57.03429	8.2
58.58334	0.3
61.02893	2.0
69.03408	2.3
71.01339	0.6
73.02896	12.0
79.05478	0.6
81.03392	1.4
81.07034	0.5
85.02869	2.1
89.86000	0.4
91.05432	3.0
93.07002	0.7
95.04881	0.4
97.02867	2.2
102.04639	0.5
103.05447	26.0
105.06987	1.7
107.04923	1.6
109.06505	0.4
115.03898	0.7
115.05312	0.4
119.04908	2.8
119.08533	0.6
121.06489	3.9
122.03567	0.4
123.04401	1.9
124.05196	0.4
129.06927	0.9
130.04161	0.6
131.04900	100.0
133.02826	0.8
133.06500	0.6
135.04358	0.5
135.08083	0.3
137.05952	20.6
145.06467	0.6
147.04382	26.8
147.08018	4.5
149.05949	6.5
150.06726	1.5
151.03844	0.4
151.07497	4.9
153.05397	0.3
157.06447	0.7
159.07848	0.4
161.05943	5.0
162.06728	4.8
163.07507	42.9
164.08224	0.6
167.07016	0.4
167.08405	0.4
173.05959	0.3
175.07507	13.7
177.05402	0.6
179.06993	1.6
187.07434	0.5
193.06721	0.6
193.08556	13.0
193.10316	0.6
203.06918	0.4
205.08549	0.7
213.09010	0.6
217.08455	0.5
221.05943	0.7
223.07581	0.5
251.06911	0.5
253.08502	0.6
257.07715	0.4
267.10132	0.7
271.09518	2.1
273.11398	0.5
297.11215	1.9
299.12631	2.8
311.12753	0.4
317.13800	8.7
329.14008	0.5
350.76779	0.4
380.34247	0.4
431.67047	0.4
480.02689	0.5
489.48108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.7
56.50856	0.6
57.07066	7.8
57.96326	0.6
59.05001	1.2
60.04268	0.7
67.05492	6.0
69.03418	0.8
69.07048	6.5
71.04988	1.2
79.05480	4.0
81.07039	15.1
83.08598	3.1
85.02899	1.2
85.06533	4.2
91.05456	7.1
93.07034	12.1
95.04932	0.7
95.08585	25.0
97.06501	0.7
105.07020	35.5
107.08578	23.6
109.06560	0.8
109.10147	23.1
111.08052	1.3
112.05280	0.6
119.08565	33.6
121.10131	18.4
123.11681	11.9
125.09542	1.0
133.10110	13.3
135.11664	5.7
137.05963	1.1
137.09631	0.8
137.13200	1.1
145.10112	3.0
147.11676	87.8
149.13242	16.2
151.11179	1.5
159.11604	0.9
160.12553	0.8
161.13220	17.4
163.14781	15.0
165.12723	6.5
167.07080	1.2
175.14754	1.5
177.16399	1.2
203.17940	100.0
221.18979	82.7
237.37091	1.0
277.14551	0.6
377.77014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58824	3.5
55.05492	3.7
56.29392	3.5
57.07057	31.1
62.22940	3.9
70.06572	27.1
71.08606	6.1
88.07607	25.2
89.06008	19.2
100.81953	5.0
102.09157	25.0
109.10190	5.1
167.63364	4.5
177.08809	46.5
202.80809	3.8
219.13516	5.9
225.23610	4.7
229.15590	24.5
240.30881	4.9
256.26263	59.3
257.26599	18.5
259.16589	25.6
261.14594	25.9
274.27484	4.5
275.16144	21.7
277.14462	10.7
277.17654	100.0
283.26236	59.3
284.26608	23.8
325.30499	5.0
377.23367	5.2
402.80988	4.5
512.50189	48.5
513.35498	35.3
513.50635	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	513.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.2
62.89508	1.2
66.00850	1.7
70.48933	1.1
71.42390	1.2
77.10168	1.2
93.07016	1.4
100.01759	1.1
107.04688	1.4
107.08622	1.6
149.13223	1.5
172.63464	1.1
177.08887	2.5
212.74976	1.3
215.14034	19.0
216.14819	6.7
217.11996	13.8
217.15550	13.0
229.68602	1.2
245.15149	5.5
250.16229	1.3
253.12933	1.4
259.16644	100.0
260.17398	6.3
261.14590	5.7
261.18246	3.0
275.16214	13.6
277.17667	33.8
293.17279	2.0
357.02533	1.2
396.58881	1.5
467.34845	20.5
495.34586	1.6
513.35516	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	513.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92770	1.9
52.14509	2.1
55.21033	2.2
97.60351	2.7
121.10075	3.6
123.04074	2.7
161.05719	11.2
177.08783	11.5
193.08304	13.6
215.14023	13.0
216.14818	3.4
217.15526	15.3
229.15556	10.1
233.11325	3.3
245.15089	4.5
259.16617	100.0
260.17313	3.7
261.14517	11.0
275.16125	35.9
276.16727	2.4
277.14056	20.0
277.17636	45.6
293.17197	17.2
343.25998	3.0
394.16525	2.8
445.03250	2.7
467.34891	19.0
512.50372	4.7
513.35425	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08406	0.4
54.82381	0.5
55.05490	0.4
56.96529	0.6
57.07055	0.6
60.02788	0.4
67.05492	1.0
67.69330	0.4
67.75941	0.4
69.07046	0.7
71.04957	0.6
79.05453	1.8
79.07982	0.4
81.07025	3.0
83.04941	0.6
91.05460	2.4
92.09328	1.2
92.65461	0.5
93.07027	3.3
93.39002	0.4
94.07324	0.5
95.04930	2.2
95.08582	1.1
97.06531	0.6
99.04420	0.7
105.06991	3.1
106.07278	0.4
107.08553	3.8
109.10158	0.9
117.06979	0.7
119.08544	2.1
120.04492	0.5
121.10111	0.5
125.09631	0.5
127.75490	0.4
129.06964	0.7
131.04842	0.6
131.08557	1.0
133.10094	0.9
136.67662	0.5
145.10045	0.8
147.08049	0.5
147.11702	0.6
161.13271	0.5
177.09116	0.5
193.03123	0.5
198.32137	0.5
211.13307	0.5
247.10867	0.6
247.12996	22.1
261.18207	100.0
275.16138	10.4
282.62018	0.5
495.94238	0.5
513.35254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40725	1.1
52.95451	1.1
63.27248	1.4
80.02378	1.6
80.75890	1.5
81.07053	5.6
81.55746	1.3
85.06559	1.4
91.05470	2.6
93.07027	6.4
94.07388	1.7
95.08602	1.9
97.06435	1.5
105.07020	3.4
107.08579	3.4
119.08601	2.1
121.10135	2.7
133.10184	1.9
135.11699	2.7
140.95969	1.5
145.10176	3.0
147.11754	2.0
157.40944	1.4
159.11630	2.6
160.05176	1.3
163.46204	1.4
171.21289	1.4
172.89795	1.5
177.08823	5.4
193.08363	1.5
211.24733	1.4
215.10413	2.8
215.14029	5.8
233.11507	2.8
243.13559	1.6
245.15210	8.6
250.99480	1.9
257.15179	3.0
259.13028	5.9
259.16727	12.6
261.14673	2.9
273.14694	3.0
274.15442	2.0
275.16110	87.1
276.16754	1.9
277.14066	2.4
277.17783	6.7
291.15732	8.9
293.17242	9.0
340.23468	1.6
359.07874	1.5
430.67371	1.5
452.10556	1.5
465.33707	2.7
493.32901	2.0
511.33911	100.0
512.33557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17827	0.2
52.20450	0.3
55.05511	0.7
57.03434	0.4
60.36208	0.3
67.05485	1.8
69.03419	1.4
71.04972	0.5
79.05466	0.6
81.07037	2.8
83.08598	0.3
85.02878	0.5
85.06537	2.0
91.05469	0.6
93.07024	1.6
95.04976	0.5
95.08603	2.8
97.10142	0.7
104.99316	0.4
105.07008	0.7
106.25531	0.3
107.08575	1.4
108.12354	0.3
109.06454	0.4
109.10143	1.6
111.04355	0.4
114.06401	0.4
119.08549	0.5
121.10101	0.5
123.08055	0.8
127.03661	1.7
131.08522	0.6
135.11713	0.6
137.05949	3.9
138.06352	0.7
151.07533	5.5
152.07848	0.4
163.07489	0.5
169.04659	0.6
173.04190	0.8
174.06697	0.4
175.07500	0.4
177.09137	0.7
185.81551	0.4
187.19310	0.4
191.10678	0.6
201.05214	2.3
202.09793	0.4
215.05234	0.9
216.07536	11.9
216.09479	0.6
217.08391	1.9
229.06786	0.5
295.22684	1.9
313.23819	0.7
317.08395	9.0
331.11487	0.6
379.13446	0.6
480.15765	0.7
511.17813	100.0
512.17969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
54.40052	1.1
55.01858	4.9
55.05502	11.2
55.05723	1.0
57.03427	2.3
57.07054	5.9
59.04981	1.3
67.05486	15.9
69.03386	1.3
69.07046	14.4
71.04977	6.1
74.77322	1.3
79.05476	15.1
81.07037	27.4
82.07363	1.5
83.04948	4.3
83.08599	5.5
85.06541	2.5
91.05468	17.2
92.05808	1.9
92.08726	1.5
93.07027	33.1
94.07355	2.1
95.04919	8.3
95.08583	20.0
96.08920	2.4
97.06522	2.6
97.10141	2.4
98.98438	8.9
99.04452	2.3
103.05452	30.0
105.07021	24.6
106.07327	2.2
107.08574	25.8
108.08916	2.0
109.06514	6.2
109.10144	15.5
111.08063	4.3
117.07008	6.6
119.08557	15.6
120.08900	2.3
121.06548	2.0
121.10114	13.5
122.10546	1.2
123.08054	2.7
123.11698	1.9
125.09596	13.7
129.06923	2.2
131.04904	78.2
131.08534	7.6
133.10091	12.8
135.08011	1.7
135.11667	10.6
135.36116	1.3
136.12039	1.3
137.13290	1.3
143.08583	2.9
145.10161	8.6
146.10439	1.6
147.11700	7.8
149.09610	7.0
149.13231	2.1
151.11200	2.1
155.00948	1.8
157.10143	5.9
159.11665	6.7
160.12018	1.8
161.09595	1.4
161.13162	2.1
163.11086	2.4
165.12794	1.4
169.10109	1.7
171.11620	2.0
173.13229	3.0
175.07298	2.8
175.11177	2.2
175.14824	1.2
177.12750	1.8
193.12184	1.3
197.58702	1.2
199.14821	4.9
201.16339	2.4
203.17596	1.5
205.08464	1.4
217.15872	1.8
219.17346	4.6
223.16925	5.0
230.00488	1.3
235.16777	1.6
247.24135	1.3
257.18954	2.1
259.16660	2.1
261.14548	1.6
267.20972	1.9
273.14609	1.6
275.12637	1.4
275.16141	6.0
277.14099	4.1
277.17651	1.7
285.22021	10.5
303.23068	6.2
339.28891	23.3
433.27261	8.0
483.30627	2.0
510.32590	1.8
511.34286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17827	0.2
52.20450	0.3
55.05511	0.7
57.03434	0.4
60.36208	0.3
67.05485	1.8
69.03419	1.4
71.04972	0.5
79.05466	0.6
81.07037	2.8
83.08598	0.3
85.02878	0.5
85.06537	2.0
91.05469	0.6
93.07024	1.6
95.04976	0.5
95.08603	2.8
97.10142	0.7
104.99316	0.4
105.07008	0.7
106.25531	0.3
107.08575	1.4
108.12354	0.3
109.06454	0.4
109.10143	1.6
111.04355	0.4
114.06401	0.4
119.08549	0.5
121.10101	0.5
123.08055	0.8
127.03661	1.7
131.08522	0.6
135.11713	0.6
137.05949	3.9
138.06352	0.7
151.07533	5.5
152.07848	0.4
163.07489	0.5
169.04659	0.6
173.04190	0.8
174.06697	0.4
175.07500	0.4
177.09137	0.7
185.81551	0.4
187.19310	0.4
191.10678	0.6
201.05214	2.3
202.09793	0.4
215.05234	0.9
216.07536	11.9
216.09479	0.6
217.08391	1.9
229.06786	0.5
295.22684	1.9
313.23819	0.7
317.08395	9.0
331.11487	0.6
379.13446	0.6
480.15765	0.7
511.17813	100.0
512.17969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86977	0.5
53.00292	0.7
55.01869	0.5
55.05508	4.8
56.05043	0.8
57.03416	1.9
57.07071	11.4
58.06575	0.9
58.81972	0.4
59.04959	0.6
60.07862	1.1
60.08153	22.5
67.05486	7.3
69.07056	7.3
71.04979	1.1
71.07362	8.0
71.08609	6.5
76.13945	0.6
79.05473	3.8
81.07043	9.8
83.04975	1.0
83.08612	5.4
85.06534	0.7
85.10168	3.3
86.09692	73.3
88.47224	0.5
91.05453	5.0
93.07021	9.5
94.07339	0.5
95.04943	3.1
95.08585	9.7
97.10193	2.3
97.35787	0.6
98.98443	5.6
99.04459	1.3
104.10726	97.0
105.07017	8.7
107.08580	8.5
109.06546	2.1
109.10136	6.6
111.08117	1.0
113.25360	0.6
117.06992	1.1
119.04926	0.8
119.08568	7.2
121.06522	1.1
121.10160	2.8
123.08069	0.6
123.11694	2.1
124.99979	41.0
125.09560	0.7
129.07027	0.6
131.08563	2.4
133.10124	5.0
135.08078	2.0
135.11668	4.6
137.09636	0.6
137.13217	0.6
139.07530	0.8
145.10132	4.0
146.10455	0.8
147.04411	4.5
147.11678	4.2
149.09610	0.9
149.13245	1.2
155.01051	1.0
159.11726	2.4
159.36839	0.5
161.13306	1.3
165.12843	0.7
170.81218	0.5
175.14851	1.3
179.14349	0.6
184.07306	100.0
189.16388	0.7
193.12251	0.8
201.16324	0.7
203.17995	1.3
205.15901	0.6
207.13872	0.7
209.15660	0.6
219.17586	0.9
221.18976	0.7
223.16940	4.1
235.16835	0.7
313.27298	7.3
327.28940	2.1
331.28244	0.6
339.28992	6.2
473.22708	0.7
492.34485	8.1
510.35556	38.8
511.34662	0.8
533.59509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05498	4.1
56.13669	0.6
57.03430	1.3
57.91961	0.9
57.92231	0.7
58.81532	0.6
60.93377	0.6
61.02907	0.8
67.05508	7.7
69.03412	3.0
69.07055	4.7
71.04993	1.7
73.02917	0.8
79.05476	5.4
81.03392	1.2
81.07043	10.9
83.04952	0.8
83.08612	1.3
85.02890	8.0
85.06528	1.5
91.05482	5.2
93.07026	7.6
95.04969	1.4
95.08594	10.7
97.02874	1.5
97.06510	1.2
99.04450	0.8
102.75910	0.6
103.05453	1.1
105.07031	4.8
107.08604	6.2
109.06510	1.1
109.10152	4.1
111.04390	0.7
111.08079	0.9
119.08573	3.3
121.06511	1.3
121.10124	6.7
122.03596	1.0
123.04417	14.3
123.08038	1.6
123.11675	1.2
124.04786	3.2
125.09634	1.0
127.03706	1.0
129.06999	0.9
131.04913	4.8
131.08556	3.0
133.06477	3.2
133.10106	1.5
135.08110	0.8
135.11655	3.8
137.05962	22.0
137.09659	0.8
138.06311	1.7
139.11195	1.5
145.06441	1.0
149.05978	5.4
149.13266	0.9
151.07533	9.7
159.08014	1.1
159.11647	1.0
163.07535	1.3
167.06992	1.4
176.58276	0.9
177.09152	1.4
191.10612	2.8
201.05330	1.2
203.10666	0.8
215.05290	1.8
216.07568	11.1
217.08322	1.7
229.06804	1.1
255.10182	1.0
259.20572	1.4
277.21643	4.1
295.22601	5.0
301.14368	1.5
313.14377	3.8
313.23801	2.7
314.14490	1.0
317.08292	12.0
379.13715	1.6
390.13437	0.8
511.17819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01869	9.5
55.05506	6.3
56.05826	0.6
56.96552	2.7
57.03420	3.1
57.07063	2.8
59.04995	0.8
59.83640	0.5
61.02909	3.3
67.05494	9.5
68.05831	0.6
68.82880	0.5
69.03413	8.8
69.07053	11.1
70.07404	1.1
71.04987	5.4
71.08615	1.1
73.02901	2.8
79.05483	8.2
81.03399	6.0
81.07042	23.6
82.07372	1.1
83.04968	1.3
83.08607	7.8
85.02893	24.6
85.06541	1.3
90.01460	0.6
91.03955	0.6
91.05476	10.6
92.08939	0.8
93.06433	0.7
93.07021	15.9
94.07329	0.9
95.04959	4.3
95.08588	17.4
96.08897	1.3
97.02880	8.8
97.06494	1.2
97.10152	4.4
99.04419	1.2
103.05452	17.8
104.06233	3.0
105.07019	12.1
107.04312	0.6
107.04956	13.6
107.08578	7.9
107.64622	0.6
109.02882	3.6
109.06464	1.0
109.10141	12.2
110.10471	1.3
111.08051	0.8
111.11694	2.5
115.05418	1.0
117.06997	2.7
118.07854	0.6
119.04890	2.8
119.08547	3.7
121.06486	22.1
121.10125	4.2
123.04409	5.4
123.08021	0.6
123.11673	8.6
124.11965	1.0
125.13245	0.8
127.03882	2.9
128.06227	1.2
129.07040	0.9
131.04909	11.5
131.08481	0.8
132.05734	1.1
133.06458	9.3
133.10091	1.5
135.08043	3.0
135.11685	3.7
137.05959	20.3
137.13251	3.2
139.03839	0.8
141.06938	0.6
143.08524	2.8
145.04971	2.8
145.06500	0.8
145.10104	1.3
147.04401	8.1
147.08026	2.8
147.11670	0.8
148.05179	0.8
149.05968	100.0
149.13245	3.9
151.07521	6.1
151.14738	0.9
153.12708	0.6
157.10104	0.8
159.11696	0.7
161.05954	3.1
161.13213	0.6
163.07506	24.3
163.14774	0.9
164.08307	51.0
165.09126	4.9
171.08044	1.0
175.07506	12.1
175.11124	0.6
177.09016	3.0
179.07030	1.3
181.08620	2.0
181.10088	2.5
189.09087	9.8
191.10744	0.9
203.10698	1.1
257.81171	0.8
275.27261	1.2
293.28217	4.1
294.28720	1.4
311.29489	2.4
313.14346	20.6
332.35999	0.7
466.81796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	2.4
55.05503	2.4
57.03426	3.4
57.07064	1.0
59.62930	0.5
61.02925	4.3
67.05479	1.1
69.03424	10.9
69.07056	3.1
71.04981	2.2
73.02903	1.3
73.95387	0.5
79.05476	2.4
81.03410	4.6
81.07036	9.3
83.04977	0.8
83.08633	0.8
85.02896	38.6
87.04446	1.2
89.02419	0.5
91.03915	0.8
91.05454	4.1
93.07033	6.8
94.07354	0.7
95.04968	1.3
95.08591	3.6
97.02885	10.0
97.52116	0.5
99.04444	2.0
99.07992	0.6
100.62811	0.6
103.05455	0.7
105.07022	12.8
107.04949	7.5
107.08593	3.5
109.02863	2.9
109.06515	3.4
109.10130	2.4
111.11774	0.7
111.92927	0.5
115.03918	0.6
117.06987	1.2
119.08546	5.3
121.06481	3.8
121.10080	1.0
122.03642	2.8
123.11689	0.7
127.03896	5.1
131.04808	0.8
131.08571	1.3
133.06468	44.4
133.10123	2.9
137.05959	100.0
142.07793	3.1
145.04956	4.7
145.10139	2.2
146.07227	0.7
147.08054	5.2
147.11699	9.1
149.09657	0.7
151.07530	3.8
157.10098	6.8
160.08827	0.8
161.05928	0.9
165.09077	1.2
175.11153	57.6
180.08662	2.2
189.60277	0.5
197.63574	0.6
207.13783	60.8
293.28320	0.8
331.19043	14.8
525.70178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02921	0.7
53.22284	0.7
54.81897	0.6
55.05489	0.7
69.03407	8.4
77.59614	0.8
91.05456	4.1
93.07019	3.5
95.04942	1.2
96.11351	0.8
97.02863	1.2
105.07018	15.8
107.08603	3.5
109.06503	1.3
117.06998	4.7
119.04918	1.4
119.08543	13.4
121.06477	5.8
123.04444	0.9
127.67316	0.8
128.06207	1.2
129.06955	6.9
130.07727	1.4
131.08531	10.3
133.06451	4.2
133.10101	20.6
135.08022	3.1
137.05949	3.9
141.06944	1.5
142.07718	7.9
143.08536	4.9
145.06471	3.2
145.10110	23.4
147.08038	2.9
147.11673	18.1
149.09544	5.8
150.44939	0.8
151.07602	0.9
151.97621	0.8
154.07739	3.6
155.07036	1.7
155.08533	4.6
157.06526	0.9
157.10098	39.9
158.07224	4.2
158.10471	1.1
159.08029	10.1
159.11662	3.3
160.08804	1.7
161.06046	0.9
161.09586	15.0
163.07518	16.6
163.11160	3.2
165.12816	1.0
169.10083	5.3
171.08028	8.1
172.08740	1.6
173.09589	52.7
174.09880	0.8
175.11148	82.3
177.05347	0.9
177.09056	5.7
179.08556	0.9
182.07256	1.2
183.08025	5.3
185.09615	6.1
187.11121	4.7
189.09052	7.0
191.10617	9.6
193.12231	1.1
197.09550	1.0
201.09076	8.6
203.10594	9.1
205.08543	0.9
205.12215	3.2
209.11679	3.7
213.09090	3.9
215.10667	13.5
219.10083	5.8
221.11705	29.5
229.08713	0.9
231.10114	4.9
233.11728	4.0
235.09506	0.9
237.11189	5.1
247.09431	0.8
249.11179	16.4
259.09610	19.0
267.12167	4.8
277.10651	63.1
295.11731	15.3
296.15536	0.8
313.12756	100.0
314.12888	1.0
331.13800	42.4
347.07098	0.9
537.23730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37307	0.3
55.01846	0.6
57.03423	3.4
61.02917	0.7
66.04723	0.4
66.65480	0.3
67.05501	0.5
68.75242	0.3
69.03405	1.0
73.02898	5.1
75.41749	0.4
79.05482	1.5
81.03366	0.6
85.02906	4.8
85.03333	0.5
91.05472	6.0
93.07018	0.8
94.04152	0.7
95.04948	2.4
97.02888	1.7
99.55978	0.4
103.05443	8.9
105.06992	3.5
107.04932	2.6
109.06548	1.4
115.05440	0.7
117.06997	4.8
119.04947	5.3
121.06502	7.0
122.03632	3.7
123.04415	41.8
123.08023	0.8
128.06190	1.8
129.06960	3.0
131.04907	24.0
131.08592	0.4
133.06467	12.8
135.08031	1.7
136.05214	0.5
137.05959	65.1
138.06288	2.3
143.04926	0.5
143.08513	0.9
145.06450	3.9
147.04361	3.0
147.08060	0.7
148.04813	0.6
148.97757	0.4
149.05965	18.7
151.03839	0.8
151.07526	24.6
152.07784	0.6
157.06433	4.0
159.08012	0.8
161.05925	5.8
161.09589	0.5
162.06682	2.2
163.07518	37.8
165.06970	0.5
165.09068	1.7
167.07039	0.4
167.08499	1.0
171.07979	2.1
174.06697	1.0
175.07530	6.0
177.09081	100.0
178.07866	0.6
178.09453	2.7
179.08426	0.5
187.07375	0.5
189.09077	9.7
193.06387	0.5
193.10144	0.6
195.08011	4.5
195.10114	2.6
203.10678	1.6
207.08083	0.5
207.10046	0.9
210.06589	0.4
212.08229	0.7
221.05992	1.9
221.09598	2.2
221.11700	9.8
223.07428	1.9
225.09056	1.9
227.10664	5.8
237.09027	0.8
238.06206	0.5
249.08833	1.4
250.09567	0.5
253.08542	3.1
253.12216	3.3
254.51486	0.4
255.10103	6.2
263.10736	0.7
265.08621	1.3
267.10083	0.8
269.08090	0.8
276.12988	0.5
276.15854	0.4
281.11655	5.4
285.11069	3.6
287.12711	7.8
293.11761	0.5
295.13193	0.5
297.11072	0.5
298.11722	0.5
299.12857	0.8
309.11334	0.5
311.12833	0.9
312.13226	0.7
313.14258	20.4
331.15359	23.3
343.15305	2.5
355.15085	0.6
372.39304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77126	0.4
53.03937	2.3
53.42090	0.3
55.01868	3.8
55.05498	0.9
56.21379	0.4
57.03431	3.6
61.02915	2.4
65.03915	1.8
67.05505	0.8
68.99770	1.8
69.03420	10.5
69.07063	0.7
69.60295	0.4
71.04967	2.6
72.67431	0.4
73.02896	5.1
79.05473	1.0
81.03403	12.8
81.07046	3.0
84.50932	0.4
84.86761	0.4
85.02891	22.5
85.06524	1.0
87.00815	12.9
87.04478	0.6
91.05463	100.0
92.05785	0.7
93.03323	0.5
93.07037	1.7
95.05013	0.5
95.08582	1.1
97.02873	16.3
97.10165	0.5
99.04414	4.7
105.01848	5.2
105.07014	2.9
107.05033	0.6
107.08591	1.0
109.02872	9.2
109.10148	2.0
117.01837	2.6
118.25800	0.5
121.10101	0.7
123.11710	0.7
125.13380	0.4
127.03895	9.9
129.01804	1.8
131.04941	0.5
133.02808	2.4
133.06573	0.5
134.41359	0.4
135.11694	1.0
137.05934	0.8
143.38559	0.5
145.04933	4.9
147.04466	0.6
149.02333	2.4
151.07536	0.7
159.02901	4.9
161.02354	0.4
165.09215	0.5
167.03383	5.3
175.03804	0.7
177.09087	1.6
179.03392	2.5
191.03375	2.6
200.65964	0.5
203.03387	1.7
221.04419	0.7
233.04486	2.7
240.07816	0.5
244.03719	0.7
245.04424	2.8
245.07861	0.6
251.07059	2.1
257.04263	0.6
269.08023	8.8
287.09146	0.6
293.07913	3.9
311.08963	3.7
317.08148	0.6
335.09119	11.5
353.10046	5.7
359.14822	0.6
439.10001	3.5
457.11371	2.2
480.38022	0.5
529.11011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01855	0.8
55.05507	20.8
57.03427	1.4
57.07057	1.7
67.05497	30.1
69.03419	3.8
69.06715	1.3
69.07059	22.5
71.04975	13.9
71.08619	0.9
74.35243	0.7
79.05479	26.9
81.07042	100.0
82.09878	0.8
82.88663	0.8
83.04978	1.5
83.08606	9.9
85.02892	1.2
85.06548	4.3
91.05463	21.6
93.06422	1.3
93.07027	67.5
95.04955	6.5
95.08588	79.0
97.06519	16.7
97.10145	5.2
99.08150	0.9
99.42903	0.9
105.07019	52.2
106.60401	0.8
107.08583	76.2
109.06536	6.7
109.09409	1.1
109.10149	39.3
111.08079	8.3
117.06982	9.7
119.08561	32.6
121.10122	39.8
122.81655	0.8
123.08052	5.4
123.11671	8.2
125.09605	8.5
126.09994	0.8
128.06255	1.1
129.07021	1.2
130.07762	1.8
131.08548	19.4
133.10120	18.2
135.11696	10.5
137.05956	2.0
137.09593	1.7
137.13203	1.1
139.11163	1.2
143.08534	1.9
144.09311	3.4
145.08975	1.5
145.10114	37.6
147.11688	9.6
149.09636	1.5
149.13252	16.0
151.11179	5.5
157.10129	1.8
158.10893	1.5
159.11664	29.5
159.12933	1.3
161.13219	13.7
163.11163	3.8
163.14828	1.2
165.09103	5.5
167.14255	1.4
171.11685	1.6
173.13206	9.6
175.14816	4.2
177.16386	1.0
191.17920	6.6
201.16371	35.3
219.17422	26.6
254.76131	1.0
257.22733	0.9
293.24741	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	509.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13795	2.1
51.70198	1.9
55.01865	2.9
55.05506	27.2
56.96552	3.7
57.03403	4.1
57.07064	4.5
59.04964	5.2
65.03892	2.2
67.05490	60.2
69.03403	6.3
69.07054	57.6
71.04975	11.0
79.05475	46.6
81.03387	2.8
81.07035	100.0
83.04951	22.6
83.08588	14.2
85.02883	18.6
85.06533	4.5
87.04314	2.1
90.56033	2.4
91.05459	44.4
93.07022	64.0
95.04945	13.6
95.08582	64.8
97.02877	4.2
97.06489	5.0
97.10165	9.6
99.08070	4.9
105.07013	68.2
107.04952	5.3
107.08572	45.5
109.06496	11.2
109.10134	58.5
111.08044	14.0
111.11682	4.1
115.05460	2.6
117.07016	26.0
119.08556	48.5
121.06480	11.0
121.10130	19.2
123.04319	3.2
123.08049	3.5
123.11687	5.8
125.09583	5.1
129.07007	3.7
130.07780	4.0
130.32341	2.8
131.08536	39.2
133.10091	24.7
135.11641	14.0
137.05959	20.5
137.09564	13.1
137.13188	4.2
139.11067	3.0
144.09331	3.4
145.10114	50.2
147.11737	9.1
149.09593	17.2
149.13206	5.5
151.07578	4.0
151.11174	6.0
157.10124	4.8
159.11662	32.1
161.13222	11.3
163.11131	13.8
173.13179	3.5
177.16237	2.7
181.10144	3.1
201.16286	29.0
219.17378	32.6
221.54410	2.4
244.11615	2.7
283.09686	4.6
283.13168	3.1
284.09927	5.3
293.28250	4.3
311.29251	3.8
330.14096	17.0
370.21347	2.6
499.79523	3.1
509.26465	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	509.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23934	1.8
54.83713	1.9
55.01856	2.1
55.05510	27.6
57.03424	2.9
57.07062	8.8
58.49749	2.0
59.04982	9.2
67.03402	2.1
67.05492	60.4
69.03427	2.7
69.07059	56.5
71.04967	9.8
71.08616	3.3
79.05480	35.9
81.07040	100.0
83.04964	35.7
83.08609	16.1
83.80089	1.9
85.02880	9.9
87.75087	2.5
89.98952	2.1
91.05458	39.4
93.07022	57.1
95.04930	11.0
95.08590	70.4
97.06514	2.8
97.10146	9.5
103.05472	3.1
105.06364	3.3
105.07020	58.1
107.04931	3.6
107.08586	46.0
109.06505	12.2
109.10148	65.1
111.08066	17.3
111.11678	3.8
117.07008	27.3
119.04879	2.4
119.08568	33.7
121.02822	3.5
121.06498	9.9
121.10145	28.2
123.08038	8.9
123.11669	19.3
125.09548	3.2
125.13261	2.7
128.06210	2.4
129.06960	3.8
130.07726	7.9
131.08562	38.2
133.10097	28.6
135.07993	3.4
135.11678	13.5
137.05948	31.1
137.09592	13.1
137.13225	12.1
143.08556	3.0
145.10103	48.6
147.11679	5.0
147.38354	2.1
149.09584	13.3
149.13242	13.3
151.07526	16.4
151.11148	10.4
157.10054	3.0
159.11671	28.0
161.05968	10.4
161.13219	17.9
163.11162	11.1
173.13196	8.7
177.16490	3.0
189.09073	4.0
195.10077	4.8
201.16325	39.6
219.17450	39.6
253.08498	2.4
275.27460	2.5
285.11026	3.9
291.09573	2.4
293.28308	10.4
297.11172	5.2
318.03262	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81404	0.7
53.03947	2.0
55.01886	0.8
55.05509	18.5
57.03439	1.0
57.07067	3.4
59.04984	1.5
62.33094	0.6
62.49697	0.7
65.03929	1.9
67.05137	1.5
67.05495	34.5
69.03416	4.9
69.07058	21.7
71.04975	11.1
77.37684	0.7
79.05475	30.8
80.68320	0.7
81.07040	100.0
82.07368	1.0
83.04974	1.9
83.08602	7.5
85.02875	0.9
85.06533	3.4
91.05465	30.7
91.06007	1.6
93.07027	72.8
95.04958	9.1
95.08585	78.1
97.06516	15.4
97.10157	4.1
103.05464	1.4
105.07017	57.1
107.04881	0.8
107.08582	79.2
107.63951	0.7
109.06495	6.7
109.10143	38.4
111.08037	7.9
117.07005	10.7
119.04962	1.2
119.08564	37.3
121.06531	3.4
121.10126	38.3
121.10981	1.6
122.03651	1.1
123.08001	6.1
123.11679	7.5
125.09593	7.4
129.06987	4.4
130.07764	6.9
131.08556	30.0
133.06519	1.0
133.10112	19.7
135.08038	3.3
135.11661	11.5
137.05975	11.1
137.09633	1.9
143.08560	3.2
144.09346	2.9
145.08972	1.8
145.10109	45.9
147.04370	1.5
147.11684	10.8
149.09595	3.0
149.13240	17.7
151.07529	4.1
151.11215	6.4
155.08508	0.9
157.10139	3.0
158.10831	0.9
159.11681	33.9
161.05968	1.6
161.13228	15.8
163.11171	4.1
165.09122	3.2
167.14288	1.0
170.58406	0.8
171.11591	1.4
173.13249	9.3
175.14798	5.0
177.16415	1.2
191.17979	3.9
200.62151	0.8
201.16359	40.7
219.17407	30.9
251.06898	0.8
291.13272	0.9
311.12711	0.8
322.26514	0.9
337.14285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01863	3.7
55.05500	23.5
56.96560	2.7
57.03420	3.2
57.07063	4.6
59.04985	7.8
64.31020	2.0
67.05496	59.2
69.03429	5.2
69.07058	53.6
71.04987	3.5
71.08612	2.2
79.05479	35.2
81.03414	3.7
81.07043	100.0
82.07351	1.9
82.38811	2.3
83.04964	31.3
83.08615	9.4
85.02877	4.7
85.06541	10.1
91.05454	42.9
93.07029	63.2
94.07379	2.0
95.04927	7.2
95.08588	70.2
97.06520	9.1
97.10169	4.6
101.76745	2.0
105.07018	72.7
107.04938	9.2
107.08572	50.2
109.06506	15.0
109.10151	65.8
111.08111	15.3
117.07016	28.7
119.08573	46.5
121.06493	11.1
121.10127	34.2
123.08064	4.4
123.11681	13.1
123.83232	2.1
125.09594	3.0
125.77571	2.0
129.06976	4.1
130.07759	8.4
131.08542	41.2
133.10100	33.6
135.08037	4.5
135.11673	18.6
137.06013	4.2
137.09619	13.9
137.13277	3.4
143.08545	4.8
144.09285	2.8
145.06516	2.6
145.10106	55.9
147.11697	8.2
149.09613	14.5
149.13260	4.0
151.07487	2.3
151.11176	16.8
155.12865	2.3
157.10175	4.2
159.11681	39.5
161.09387	2.4
161.13220	9.9
163.07544	2.6
163.11165	14.2
165.09074	9.0
171.11656	2.6
171.32147	2.1
173.13245	4.8
177.09021	2.1
191.17914	2.7
201.09123	13.0
201.16342	43.7
219.17410	56.4
265.08371	3.1
266.09006	4.4
295.22998	2.1
309.11136	4.9
310.11545	12.0
329.17517	9.9
342.14154	8.7
509.26468	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	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
53.03936	1.1
54.56316	0.6
55.05507	19.1
57.03430	0.8
57.07075	13.0
61.02920	0.8
61.60477	0.7
63.31044	0.8
64.33178	0.7
67.05499	24.9
69.03429	1.6
69.07059	51.4
71.04988	0.8
71.08617	6.1
79.05478	9.9
81.07044	87.5
83.08611	25.4
85.02888	8.9
85.06536	8.2
85.10162	1.4
91.05465	2.9
92.08718	1.5
92.09274	1.3
93.07035	15.7
95.04877	0.9
95.08591	100.0
97.02853	1.2
97.06519	1.2
97.10161	17.3
99.08090	3.7
105.07027	1.4
107.08592	14.7
109.06526	0.7
109.10149	53.3
111.11710	11.6
113.09617	1.5
115.93966	0.7
118.73970	0.7
119.08575	1.6
121.10150	11.0
123.11698	26.9
125.13282	5.8
127.11163	1.0
129.12738	1.0
133.10121	1.4
135.07988	0.7
135.11697	7.9
135.17648	0.8
137.13237	10.7
139.14836	1.0
143.14267	1.0
145.10104	1.0
147.07835	0.8
149.13263	14.8
151.14809	12.7
163.14827	9.0
165.16335	6.4
177.16322	0.9
179.17967	3.7
188.53032	0.8
191.17905	2.7
193.19562	1.5
199.84138	0.7
205.19597	1.0
219.20996	1.2
249.25714	3.1
267.26706	1.4
275.27258	7.9
281.28394	2.9
285.10080	0.7
293.25021	1.6
293.28293	18.5
311.29514	5.6
329.30640	1.1
509.26758	1.1
538.06769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05504	18.9
57.03415	0.8
57.07056	3.6
65.03913	2.1
67.05491	35.1
67.05847	1.4
69.03411	5.5
69.07054	23.7
71.04976	13.9
79.05473	23.0
81.07037	100.0
83.04949	1.6
83.08595	9.0
85.06525	8.4
86.17908	0.9
90.60545	0.9
91.05459	21.8
93.07019	63.9
94.92900	0.8
95.04956	6.5
95.08581	76.3
97.06506	12.3
97.10144	7.9
97.49580	0.8
99.08054	1.2
100.11185	1.0
103.05392	0.9
105.07010	45.6
107.08572	74.6
109.06513	6.4
109.10133	36.4
111.08048	6.5
111.11668	1.1
113.09594	1.0
117.06970	7.9
119.08556	30.6
121.06461	1.1
121.10120	38.5
123.08031	6.7
123.11681	10.1
125.09593	7.5
129.07004	1.4
130.07814	1.6
131.08545	20.5
133.10104	18.4
135.07980	1.0
135.11678	12.1
137.05945	1.7
137.09575	2.0
137.13232	1.3
139.11139	1.1
143.08578	2.0
144.09302	1.8
145.10104	35.5
146.10944	1.2
146.55565	0.8
147.11661	10.7
149.09608	2.0
149.13231	18.1
151.11133	6.2
157.10019	1.3
159.11647	30.0
159.12927	1.3
161.13203	15.1
163.11160	4.4
165.09084	4.7
165.12677	1.0
167.14325	1.3
173.13194	9.5
175.14774	6.7
177.12686	1.1
177.16389	1.3
191.17984	1.6
201.16345	33.3
219.17387	33.0
235.12888	0.9
241.04097	0.9
275.23688	1.2
293.24707	6.4
311.25787	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	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
53.03936	1.3
55.01859	1.4
55.05504	9.1
56.96558	1.1
57.03426	1.3
57.07074	9.4
61.02909	0.8
63.87003	0.6
64.58965	0.6
67.05492	11.9
68.47216	0.7
69.03412	3.7
69.07056	35.0
71.04970	1.3
71.08609	5.2
73.02901	0.9
79.05473	11.6
81.03398	3.6
81.07039	100.0
83.04956	1.8
83.08594	9.7
85.02890	9.8
85.06522	4.9
85.10170	1.6
85.42785	0.8
91.05462	7.7
93.07021	24.2
95.04943	3.9
95.08581	45.4
97.02857	3.4
97.06483	1.7
97.10152	5.7
99.08086	1.3
103.05434	1.0
105.07014	8.8
107.04966	0.8
107.08585	20.3
109.06495	3.0
109.10148	17.8
111.08064	8.1
111.11705	32.5
111.12477	1.1
117.06980	1.6
119.08549	6.1
121.06474	1.3
121.10119	14.1
123.08046	0.7
123.11689	11.4
125.09601	1.5
125.13251	1.0
129.06982	1.0
131.08548	3.4
133.10101	4.3
135.11662	7.1
137.05939	3.9
137.13231	18.2
139.11116	1.6
143.08589	1.0
145.04942	1.2
145.10066	5.4
147.11729	1.0
149.09508	1.3
149.13235	17.4
151.07433	1.1
155.14293	20.1
157.10135	1.1
159.11639	1.6
161.09612	1.4
163.14771	4.3
165.09081	1.0
167.14262	2.8
173.09673	1.0
173.13203	1.0
173.15407	1.4
174.09932	1.2
177.08940	1.6
177.12721	1.3
177.16292	1.2
187.14777	0.8
201.12718	0.8
205.12228	4.7
206.12538	5.1
275.16144	0.9
275.27255	5.3
293.13989	1.0
293.28363	10.6
311.29593	1.3
329.30386	1.3
375.96750	0.7
509.27332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23968	0.2
53.03938	0.5
55.01858	1.2
55.05262	0.5
55.05504	7.9
57.03425	0.7
57.06811	0.5
57.07068	9.4
59.04971	0.3
59.95675	0.2
60.52626	0.3
61.02906	0.7
62.44970	0.2
64.33276	0.3
64.80666	0.2
67.05490	11.6
69.03417	2.9
69.07053	35.5
70.07353	0.2
71.04977	1.2
71.08611	5.9
73.02909	0.3
79.05475	10.4
81.03405	1.3
81.07038	100.0
81.75968	0.3
82.07351	0.4
83.04976	1.2
83.08599	8.9
84.79341	0.3
85.02367	0.3
85.02893	11.5
85.06512	4.1
85.10171	2.0
91.05465	3.5
93.07024	19.4
94.22416	0.3
95.04955	1.8
95.08585	45.0
97.02891	2.2
97.06522	3.4
97.10141	3.8
98.97555	0.3
99.08078	2.0
105.07014	4.4
107.08575	13.9
109.02855	1.2
109.06494	1.4
109.10142	14.2
109.10851	0.6
111.04409	0.3
111.08067	7.4
111.11702	36.3
115.03928	0.4
117.07004	1.2
119.08555	3.0
119.90811	0.3
121.06560	0.3
121.10123	10.0
123.08076	1.1
123.11675	9.1
123.12541	0.4
125.09613	1.2
125.13258	0.6
127.03892	2.0
129.07060	0.3
129.09073	0.3
130.96526	0.4
131.08551	1.8
133.10124	1.8
135.11662	4.9
137.12167	0.7
137.13234	21.9
139.11160	1.9
143.08598	0.7
145.04948	2.5
145.10054	0.7
147.07961	0.3
147.11725	1.2
147.68636	0.3
149.09552	0.5
149.13228	13.8
151.07552	0.4
151.11150	0.3
151.14877	0.5
153.12715	0.4
155.14279	18.8
157.10126	0.6
159.11658	1.1
161.13170	0.5
163.06032	1.3
163.11188	0.3
163.14801	3.4
165.12737	0.4
167.14262	2.6
173.13239	1.2
173.15413	1.2
176.24400	0.3
177.16428	0.3
179.14249	0.3
179.17888	0.3
179.58620	0.3
183.13478	0.3
185.13493	0.3
185.15276	0.6
188.06848	0.3
205.19644	0.4
219.21124	0.4
275.27252	4.5
288.63385	0.3
293.28329	6.3
299.18320	0.4
311.29477	0.4
317.19504	0.3
329.30429	0.5
368.32889	0.3
401.29993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68523	0.3
55.01859	0.3
55.05503	0.3
56.11452	0.3
63.03360	0.2
63.87334	0.3
65.03926	0.6
67.05487	0.7
68.05822	0.3
69.07035	1.2
79.05440	0.5
81.03876	0.3
81.07031	2.1
84.99229	0.3
91.05456	15.2
92.09301	0.3
93.07005	2.0
93.37650	0.3
93.46570	0.3
94.04163	0.4
95.08582	2.0
103.05450	9.6
105.06998	1.6
107.04922	1.8
107.08559	1.3
109.06483	0.7
109.10104	0.7
115.05424	1.3
116.06179	0.4
117.06980	3.4
118.01815	0.3
119.04916	31.9
119.08561	0.3
121.06469	1.9
122.03615	1.9
123.08044	0.6
123.11643	0.4
128.06198	1.4
131.04900	19.5
131.08530	0.3
132.05656	0.4
133.06374	0.3
135.08040	1.3
137.05951	21.8
137.09503	0.4
141.84457	0.3
143.08533	2.0
144.05582	0.4
145.06461	0.6
145.10112	0.5
147.04384	70.9
149.06017	0.4
149.09613	0.7
151.07489	5.9
151.08485	0.4
161.05888	0.8
162.06726	3.2
163.07510	27.2
165.09059	0.4
171.07990	0.6
174.32320	0.3
175.07529	3.8
177.09068	100.0
191.10539	0.4
195.10094	2.9
203.10651	0.4
209.25505	0.3
219.17284	0.4
221.11694	7.7
267.10190	0.6
293.24533	0.5
306.07364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39101	2.7
53.07423	2.4
54.58448	2.6
55.05489	16.8
55.74980	2.7
57.07066	20.1
59.04982	3.7
67.05492	24.5
69.07059	24.8
71.04979	7.4
76.98647	3.4
79.05469	20.9
81.07050	76.8
82.07368	7.4
83.08604	14.9
85.06524	7.8
85.12141	3.5
86.06890	4.2
91.05461	29.7
93.07025	71.5
94.07328	5.5
95.04955	4.8
95.08585	49.8
96.08905	6.4
97.06535	4.3
105.07023	45.7
106.07341	8.1
107.08574	42.5
108.08908	6.3
109.06509	7.6
109.10162	35.4
111.08035	3.6
111.89811	3.2
119.08559	58.1
120.08871	4.6
121.10122	100.0
122.10447	21.2
123.08033	5.8
123.11701	25.3
124.12073	4.5
131.08543	4.6
133.10124	24.6
135.11662	21.8
137.09619	4.0
137.13171	5.3
145.10056	13.6
147.11674	34.3
148.12073	5.6
149.13260	19.6
150.13599	4.4
150.21370	3.4
159.11679	7.1
161.13223	12.1
162.13545	3.8
165.95743	3.3
175.14987	3.9
201.16316	5.1
203.17967	32.4
204.18221	18.3
205.19487	35.6
206.19839	14.5
213.06775	18.3
219.17415	16.1
220.17821	5.0
221.18980	25.1
222.19363	5.9
231.11441	57.7
237.18413	16.5
241.09900	4.1
245.15077	7.1
259.16724	5.3
273.14670	4.5
476.38083	3.3
509.32297	14.5
524.92731	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	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.20789	0.6
64.22031	0.7
67.05489	0.7
79.05460	4.4
81.07032	1.4
83.90505	0.6
85.02895	0.9
90.31964	0.6
91.05466	16.0
92.08629	0.8
92.09145	2.8
93.07008	2.8
94.04169	3.6
95.04934	3.1
103.05450	5.3
105.07021	6.1
107.04956	6.5
108.05742	1.0
109.06506	2.7
111.04435	1.0
113.02174	0.7
115.05434	4.6
117.06997	5.8
119.04931	10.2
121.06488	6.2
122.03613	7.8
123.04465	1.3
123.08064	5.2
128.06219	3.6
129.07005	9.0
131.04912	5.4
131.08623	1.2
133.02817	0.9
133.06458	3.5
133.10031	0.7
135.04376	1.1
135.08049	3.1
136.05161	1.3
137.05965	100.0
138.25923	0.7
143.04890	3.0
145.06526	5.4
146.03589	2.5
147.04385	2.7
147.08034	2.8
149.05962	5.5
151.03885	3.1
151.07530	43.6
153.07016	0.8
157.06467	6.6
160.05183	3.8
161.05968	34.1
161.09569	5.6
162.06747	0.9
163.07550	8.3
165.05644	0.7
165.06990	4.2
165.09087	4.2
167.08492	1.3
168.98499	0.7
174.06796	5.0
175.07510	16.7
177.07083	0.9
177.09084	4.6
177.25111	0.6
178.07700	1.2
178.14780	0.6
179.08565	1.5
181.06482	1.1
181.08633	0.7
182.07227	1.0
185.05902	0.7
187.07545	1.2
189.07301	1.1
189.09094	14.9
190.07837	0.8
191.07001	0.8
191.08571	2.8
193.06314	0.8
193.08611	0.8
194.07254	2.7
195.08098	3.5
195.10158	11.0
197.06049	1.1
199.07520	1.2
202.07704	1.1
205.06517	5.0
206.07249	1.3
207.08002	2.9
207.10112	5.5
208.08922	0.9
209.05966	1.1
209.09587	1.1
210.06761	1.3
211.07558	1.7
213.09076	0.8
218.07278	1.6
219.08052	4.3
220.08810	1.0
221.05971	4.6
221.09605	2.7
222.06749	1.5
223.07481	2.8
224.08357	1.4
225.09093	3.8
227.06964	1.7
231.08014	1.4
233.05923	1.5
233.09601	1.1
234.06754	5.2
235.07483	3.4
236.08229	1.2
237.09105	5.0
238.06274	0.9
239.07036	1.0
239.10663	1.1
240.07780	1.3
241.08560	1.4
245.09662	1.0
247.07507	3.0
248.08380	1.2
249.08990	8.5
250.06279	3.5
251.06947	1.5
251.10667	3.5
252.07649	1.0
253.08560	6.0
255.06459	2.8
261.09039	0.9
262.06094	1.0
263.06931	1.0
263.10635	1.0
265.08542	9.0
266.09406	0.9
267.10141	3.1
269.08014	1.5
269.11450	0.8
270.08813	1.5
273.09161	1.0
275.10553	0.8
277.08560	7.0
277.11838	1.5
279.10153	3.9
281.08020	4.4
282.09033	1.4
283.09610	4.1
284.10001	0.7
285.11304	5.1
287.12897	1.5
289.11990	0.8
290.09348	0.9
291.10046	1.4
293.08163	1.0
293.11679	1.1
294.08826	0.9
295.09592	1.3
296.10486	1.2
297.11227	11.5
299.12589	3.1
305.11694	1.1
308.10251	1.4
309.11087	3.5
311.12793	16.1
317.13867	2.8
323.12769	4.3
337.14212	8.8
341.13708	1.4
349.14352	1.6
355.15292	12.4
367.15417	4.8
420.06000	0.8
435.18106	1.1
479.20435	1.6
509.21442	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	508.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
54.82163	0.7
55.05503	6.3
57.07045	1.4
59.04988	1.5
64.65650	0.7
67.05160	0.9
67.05482	9.1
69.03376	0.9
69.07057	17.0
71.04957	1.3
74.09721	0.9
76.99714	0.9
79.05478	7.7
81.07038	44.5
83.08604	4.7
85.06516	4.3
91.05471	8.0
92.09285	1.7
93.07021	43.1
93.96431	0.7
95.04946	4.0
95.08579	30.2
97.10159	1.6
105.07012	20.0
107.08572	28.4
109.06473	1.5
109.10136	20.3
110.78943	0.7
111.08076	1.3
111.11738	1.2
117.06979	1.2
119.08562	22.5
121.10117	100.0
123.08058	1.1
123.11687	17.7
133.10127	12.1
135.08041	1.5
135.11673	25.6
137.09608	3.5
137.13252	1.8
145.10097	7.4
147.11664	12.8
149.13223	29.7
149.14339	1.5
159.11630	7.8
161.13231	9.1
163.11102	1.0
163.14726	1.5
173.13199	1.0
175.14775	14.6
177.16354	1.4
179.14180	1.4
189.16347	1.4
191.17923	5.4
193.15828	5.0
201.16350	8.4
203.17921	19.8
205.19489	50.2
219.17410	9.8
221.18951	22.3
237.18413	12.3
473.79816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14011	1.3
53.03955	1.6
54.81936	1.5
55.05505	13.2
57.07063	6.8
58.63192	1.5
59.04985	1.6
59.31787	1.5
64.60727	1.4
66.54707	1.5
67.05495	14.7
69.07050	21.0
71.04971	3.8
79.05470	16.0
81.07036	59.3
82.79451	1.6
83.04955	2.0
83.08580	7.1
84.28153	1.7
91.05463	15.5
91.42258	2.0
93.07024	92.2
95.04938	7.0
95.08588	47.0
97.06483	3.1
97.10181	3.5
99.04437	2.9
105.07016	56.7
107.08575	62.8
109.06523	3.6
109.10134	28.2
117.07027	4.1
119.08553	64.1
121.06439	3.0
121.10118	100.0
123.08036	10.3
123.11707	14.7
128.02736	1.9
129.16626	1.9
131.08548	8.3
133.10114	33.2
135.08029	8.9
135.11667	62.9
137.09621	3.2
139.07545	3.3
145.10091	22.0
147.11626	31.0
149.09619	3.4
149.13235	29.2
159.11641	16.9
161.13223	23.6
163.11119	3.2
163.14827	6.9
165.12624	2.4
173.13142	3.0
175.14793	44.5
177.12762	3.6
177.16380	8.5
179.14287	2.7
181.12292	2.0
189.16354	10.1
191.17908	18.4
193.15849	9.4
201.16330	23.1
203.17949	27.8
205.19467	39.4
219.17416	22.4
221.18971	15.4
235.16928	2.4
237.18414	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
54.42970	1.4
55.01870	3.3
55.05503	18.3
57.03421	2.1
57.07070	3.4
59.04998	2.0
64.33607	1.8
65.03930	1.8
65.36089	1.4
67.05495	28.9
69.07063	27.0
71.04993	14.2
79.05477	24.4
81.07043	69.3
83.04982	11.3
83.08604	9.0
85.06532	15.2
91.05461	33.8
92.05734	1.6
93.07027	100.0
95.04959	11.2
95.08588	54.6
97.06514	7.5
99.08114	2.0
101.05975	1.9
105.07020	70.2
107.08579	65.0
109.06517	7.7
109.10144	72.9
109.10855	3.3
111.08073	13.6
113.09628	7.0
117.07014	10.7
119.08560	72.7
121.06483	3.6
121.10131	50.5
123.08066	8.0
123.11687	11.0
125.09608	10.9
127.11191	14.0
130.07790	2.4
131.08571	15.9
133.10115	36.0
135.07974	5.4
135.11688	19.2
137.09642	6.1
139.07527	2.1
139.11128	3.4
144.09343	2.3
145.10115	46.4
147.11673	25.6
149.09634	3.0
149.13237	8.9
151.11183	3.9
157.10078	2.3
159.11681	51.4
161.13231	67.3
163.11188	6.1
173.13239	10.1
175.14806	14.2
177.12772	2.4
177.16383	9.5
179.14281	2.8
201.16382	40.4
203.17938	17.1
219.17430	42.4
221.18990	2.2
235.16823	2.8
237.18475	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01868	24.5
55.05506	29.2
56.73471	1.8
56.96552	13.6
57.03431	35.2
57.07062	9.7
59.04994	3.5
59.73452	1.8
61.02912	17.7
65.15686	1.8
67.05497	25.8
69.03411	39.9
69.07057	20.2
71.01333	5.1
71.04967	4.5
73.02903	31.0
76.79426	1.8
79.05475	8.7
81.03403	5.0
81.07038	63.0
81.07481	3.7
83.08611	25.7
85.02890	100.0
87.04439	2.8
91.05454	4.1
93.07016	17.5
95.08582	76.2
97.02872	46.6
97.10153	41.2
99.04430	4.0
101.09614	2.6
103.03915	2.8
105.07003	9.1
107.08550	15.4
109.02872	10.1
109.06472	3.0
109.10143	88.2
115.03898	19.1
115.11160	8.2
116.98534	2.4
119.08586	4.4
121.10139	5.1
123.11684	84.5
123.12549	3.9
127.03910	17.5
133.04930	15.3
133.10120	2.8
137.05977	14.2
137.13266	29.8
143.08543	2.9
145.04935	15.8
145.06491	2.5
145.10120	12.2
149.13287	2.9
150.07564	3.2
157.10153	2.8
163.05997	2.7
163.07411	2.2
165.09109	2.1
170.99585	2.1
173.09590	14.4
179.17911	49.2
197.18964	76.0
203.17995	3.2
205.12215	50.2
217.07426	3.9
293.20917	3.7
321.53452	2.4
323.22260	2.3
346.64301	2.1
463.21783	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	508.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01866	6.0
55.05504	16.4
57.03420	1.4
57.07066	6.6
59.04991	1.7
61.75623	1.1
65.03922	2.2
66.03661	1.2
67.05492	26.0
69.03403	2.1
69.06709	1.9
69.07054	29.3
69.65773	1.2
71.04974	10.7
74.24290	1.1
79.05476	25.3
81.07037	81.3
83.04964	6.1
83.08603	9.0
85.06522	14.2
91.05457	39.8
93.07024	100.0
95.04938	23.1
95.08583	57.1
97.06510	10.2
97.10160	2.3
101.05977	1.7
105.04494	1.4
105.07011	63.9
107.08577	63.4
107.26571	1.1
109.06509	11.2
109.10140	60.3
111.08055	19.4
113.09631	1.7
117.07001	6.7
119.08556	69.3
121.06465	9.2
121.10120	63.1
123.08034	8.2
123.11682	17.3
125.09620	6.0
127.11185	12.5
130.07761	2.3
131.08568	13.7
133.10109	38.0
135.08012	13.7
135.11674	20.3
137.09581	7.5
137.13272	2.2
139.11186	3.0
144.09377	1.6
145.10100	32.3
147.11678	29.8
149.09583	2.2
149.13240	11.7
151.11172	1.5
151.14806	1.5
157.10118	3.0
158.10899	1.5
159.11673	37.5
161.13239	49.5
163.11147	6.6
163.14806	2.3
165.12660	1.8
173.13258	9.4
175.11165	1.4
175.14763	13.4
177.12723	12.2
177.16368	7.0
179.14189	1.5
189.16447	1.4
191.14337	2.3
191.16106	1.3
191.17903	7.2
201.16338	26.5
203.17937	44.8
205.19490	6.9
219.17426	37.1
220.18277	1.4
221.18987	19.0
224.67804	1.5
237.18483	12.7
330.67157	1.3
482.36179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01872	1.0
55.16564	0.7
57.03422	1.0
59.41202	0.7
59.60743	0.6
61.02906	3.4
69.03429	7.0
71.04977	0.9
81.03399	3.0
82.89839	0.8
83.04983	3.6
85.02892	27.4
91.05447	1.7
97.02887	8.8
99.04450	0.8
104.68068	0.8
105.07001	12.2
109.02846	3.0
117.07011	5.6
119.08572	10.3
127.03893	5.8
127.87791	0.8
128.06232	1.0
128.16473	0.8
129.07002	6.4
131.07547	0.9
131.08543	10.7
133.10086	4.1
135.08070	1.5
141.06984	1.8
142.07776	10.3
143.08546	4.4
144.09315	5.0
145.04984	1.3
145.06456	1.6
145.10095	9.9
146.63860	0.8
147.07957	1.4
147.11668	28.1
154.07713	5.4
155.08527	1.5
156.09322	1.8
157.06453	3.7
157.10104	18.0
158.07349	1.6
159.08031	19.0
159.11665	40.6
160.08806	6.7
161.09607	4.2
163.07524	1.2
169.10098	11.2
171.08035	4.5
172.08800	70.8
173.09581	12.7
174.10365	25.3
175.11154	72.1
183.08022	1.3
185.09561	15.7
187.11151	62.2
188.08344	6.3
189.09091	1.9
191.10747	1.4
201.09074	1.9
203.10629	12.0
204.36404	1.0
205.08554	1.2
213.09081	32.4
213.11086	1.6
219.10168	1.1
226.42032	0.8
231.10126	30.6
233.07019	0.9
247.09686	1.1
249.11169	100.0
263.09082	1.6
275.09103	3.1
280.28339	0.8
281.10013	0.9
293.10135	10.5
294.71500	0.7
308.00970	0.9
308.06320	0.8
311.11148	3.6
329.12192	8.4
482.10150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01847	0.4
55.05502	1.1
56.49658	0.2
57.03410	1.3
61.02918	3.0
67.05481	1.6
67.16956	0.3
69.03074	0.4
69.03418	6.1
69.07037	1.4
70.72678	0.2
71.01305	0.2
71.04967	0.7
73.02881	1.2
73.50014	0.3
73.52393	0.3
76.63678	0.2
79.05456	1.7
81.03395	2.1
81.07041	4.0
82.07342	0.3
83.08607	0.7
85.02890	20.5
87.04438	0.3
91.03954	0.4
91.05467	2.1
93.07021	2.5
95.04943	1.1
95.08572	2.0
97.02874	5.9
97.06490	0.3
97.10136	0.3
99.04408	0.4
103.05485	0.5
105.07025	3.5
107.08565	2.4
109.02854	1.6
109.06475	0.4
109.10138	1.6
111.08102	0.3
111.11750	0.3
113.17720	0.3
117.07011	2.5
119.08562	1.5
121.10128	1.1
122.03587	0.5
123.11700	0.5
127.03895	2.4
130.07730	1.2
131.04903	4.5
131.08537	1.1
133.06496	0.3
133.10121	0.6
135.07924	0.3
135.11607	0.4
137.05956	23.0
142.07784	0.3
143.08525	0.7
144.05679	1.8
145.04971	2.1
145.06459	9.5
145.10104	16.7
147.11655	0.6
148.05156	0.6
149.15602	0.3
155.08572	1.2
158.07219	2.4
159.11606	0.6
161.05872	0.4
163.07510	3.2
173.09586	30.3
175.07437	0.5
176.08324	2.6
177.09116	0.4
180.08620	1.1
190.09836	1.8
191.10645	1.4
205.12209	100.0
206.12599	0.3
226.06296	0.6
227.06889	1.2
236.76617	0.3
241.08440	0.5
257.07956	0.4
258.08920	0.4
314.14987	0.6
409.62314	0.3
445.21445	0.4
488.41470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05502	4.6
57.07061	1.1
67.05489	5.9
69.03410	0.8
69.07063	7.7
71.04978	1.1
79.05478	6.0
81.07037	11.5
81.92895	0.5
83.04949	0.8
83.08615	0.8
85.06525	1.3
91.05468	9.1
93.07025	19.5
95.04948	4.8
95.08586	11.7
97.06491	0.8
99.04454	1.1
103.05424	0.7
104.06189	0.8
105.07012	69.7
107.08590	10.5
109.06522	3.5
109.10135	10.0
111.08009	0.8
111.69283	0.5
117.07009	6.0
118.13377	0.5
119.08558	100.0
120.08907	0.6
121.06506	0.8
121.10140	8.0
123.11687	3.8
131.08545	2.8
133.10115	11.0
135.08037	14.4
135.11693	4.2
143.08546	0.6
145.10071	4.1
147.11668	10.4
147.62463	0.5
149.09663	0.8
149.13240	2.4
157.10072	0.8
159.11647	4.3
161.13235	4.5
163.11241	0.9
173.13135	0.8
175.14812	1.1
177.12669	1.0
177.16467	0.6
191.17906	0.6
201.16382	1.9
203.17900	16.7
204.91171	0.5
205.19611	0.7
217.15883	0.9
219.17429	7.4
221.18968	2.2
235.16881	3.6
248.22345	0.7
272.90536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.28
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.01862	4.3
55.05496	8.2
56.83003	0.8
57.03424	9.7
57.07057	4.3
61.02913	3.6
67.05486	5.7
69.03409	21.0
69.07050	17.4
71.04978	5.5
72.96796	0.8
73.02896	10.0
79.05473	5.1
81.03408	1.5
81.06599	1.6
81.07039	30.4
83.04963	1.2
83.08598	12.3
85.02888	23.7
85.06528	9.1
87.04479	1.0
91.05444	2.3
93.07025	18.8
95.08585	45.4
97.02869	13.3
97.10086	2.7
99.08080	9.1
105.07001	4.4
107.08574	40.6
109.02895	1.7
109.06518	1.6
109.10136	14.5
110.10471	1.6
111.08050	1.2
115.03922	4.6
119.08573	2.2
121.10112	60.0
123.11703	2.4
125.09606	50.8
127.03878	4.8
132.36885	1.0
133.04929	5.3
133.10072	1.7
135.11674	21.0
136.12030	2.0
137.05940	1.9
137.13235	23.8
145.04976	4.7
149.13260	6.8
150.35866	1.0
151.14726	1.3
155.67509	1.1
163.05948	1.3
177.16345	100.0
182.60512	1.0
195.17407	40.8
211.16866	1.5
213.18477	41.6
356.50031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.19871	0.9
55.05505	20.7
57.03429	2.2
57.07074	14.7
67.05491	44.1
69.03416	1.8
69.07056	40.6
69.07634	1.3
69.54601	1.1
71.04989	1.5
71.08611	6.9
73.59525	1.2
77.36723	1.1
79.05479	27.5
79.16365	1.2
81.03413	1.3
81.07039	93.4
83.08607	22.5
85.02888	2.8
85.06526	3.0
85.10174	1.7
90.57976	1.3
91.05458	21.3
93.07021	54.6
95.04974	5.7
95.08582	100.0
97.06499	1.4
97.10155	11.5
105.07010	27.8
106.52145	1.2
107.08572	39.6
109.06464	2.4
109.10139	45.6
109.10854	2.3
111.08070	1.9
111.11725	6.6
117.07031	1.6
119.08559	21.6
121.10131	24.7
123.11682	19.2
133.10098	30.1
135.11684	23.9
137.09590	6.1
137.13268	7.9
143.19823	1.3
147.11687	14.5
149.13257	19.6
151.11185	2.4
151.14825	2.1
154.32631	1.3
155.10693	1.3
161.13223	10.5
163.14796	10.9
165.12759	5.2
165.16417	1.7
175.14806	4.5
177.16336	4.9
179.17931	3.0
189.16330	2.5
191.17970	2.8
217.19516	5.5
247.24010	1.6
273.25720	20.3
279.26758	6.4
291.26740	18.1
300.14246	1.4
309.27783	7.5
319.22122	1.4
526.89337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81560	1.4
56.96556	3.1
57.84758	1.2
92.09338	2.9
97.02888	6.4
98.97559	8.5
108.42406	1.5
116.98606	13.8
117.05345	1.5
119.01896	13.8
134.99655	7.6
137.02933	6.5
138.03020	1.4
153.00690	2.0
165.91461	1.7
177.00931	25.6
178.01039	7.5
179.00691	8.1
186.74768	1.5
219.01955	29.2
219.03880	2.9
220.02023	7.2
221.01837	7.8
225.69923	1.7
234.99977	6.0
243.02072	2.7
245.01578	1.6
253.00986	2.9
258.99936	19.8
259.99951	5.4
261.00204	2.6
261.03003	77.2
262.03088	24.8
263.02756	27.1
264.02701	4.7
264.98984	1.6
277.00955	30.9
278.00922	2.9
279.00833	3.2
280.01050	2.8
282.99960	43.9
283.99966	8.3
284.99777	7.6
285.99875	3.6
300.97559	3.7
301.00992	100.0
302.01187	15.5
303.00781	15.9
304.00818	13.1
306.24683	1.5
319.01871	6.1
354.93127	1.9
396.94772	1.8
398.97791	2.9
399.97733	2.9
400.97253	6.2
401.97498	3.4
406.99881	2.2
409.21545	1.7
425.01047	11.8
442.95944	2.2
443.02191	65.2
444.02209	2.0
446.01642	1.8
463.95767	3.4
466.45773	1.7
477.25839	1.7
504.96548	2.1
507.96335	6.5
525.97498	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	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.3
57.07068	11.9
59.04983	4.2
67.05499	29.6
69.03426	5.0
69.07063	38.9
71.04994	10.5
71.08620	2.9
79.05480	32.5
79.19598	2.7
81.07040	87.2
82.05767	2.6
83.04990	4.9
83.08603	11.2
85.06495	4.4
91.05471	44.2
93.07030	84.9
95.04952	15.8
95.08588	88.1
97.06521	5.0
99.04430	4.8
105.07011	93.0
107.08580	100.0
109.06516	14.8
109.10137	54.0
111.08070	6.9
117.07011	15.2
119.08565	95.9
121.06513	14.4
121.10132	76.3
123.08062	6.7
123.11681	17.5
125.09621	3.0
130.07739	4.5
131.08545	31.0
131.09430	3.0
133.06476	4.2
133.10118	65.9
135.08035	20.0
135.11670	39.6
137.09610	11.8
137.13246	15.4
142.07791	3.5
142.12383	2.9
143.08533	6.2
145.10110	74.9
147.08078	6.2
147.11690	33.2
149.09599	6.0
149.13274	14.6
151.11169	4.8
153.09123	3.1
157.10159	5.0
159.11687	60.3
161.09589	17.8
161.13257	24.7
163.11171	4.0
165.09077	18.2
173.13272	14.8
175.14822	16.5
177.12729	11.7
184.96088	2.8
189.16406	19.7
191.14297	3.4
191.17975	18.9
193.12140	4.7
201.16356	61.9
201.18172	3.1
203.17957	15.0
205.19553	4.7
217.15918	4.1
219.17451	67.6
221.18983	4.0
235.16846	22.8
237.18437	21.6
253.17842	4.6
380.69403	3.4
417.91687	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	506.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.7
53.36755	0.7
55.05503	5.1
57.07064	1.3
59.04978	3.7
62.84838	0.7
67.05499	8.1
68.46472	0.7
68.95077	0.7
69.07049	6.8
71.04961	1.0
79.05467	7.2
81.07034	19.0
83.08590	3.1
85.06526	1.3
85.48634	0.7
91.05465	14.4
93.07026	22.1
94.07353	1.0
95.04945	5.4
95.08596	13.1
104.64083	0.7
105.07014	73.2
106.07311	1.0
107.08579	13.4
109.06503	1.7
109.10143	12.3
117.07020	5.6
119.08565	100.0
119.95821	0.8
121.06483	1.6
121.10111	20.8
123.08054	0.9
123.11687	7.4
131.08553	3.3
133.10109	14.8
135.08037	9.9
135.11685	4.8
137.06009	0.8
145.10100	3.8
147.11688	14.9
149.13235	4.1
151.11223	1.2
159.11685	4.4
161.09538	0.8
161.13245	5.5
163.14882	1.1
175.14824	1.3
189.16342	1.0
192.26770	0.8
203.17918	19.9
205.19434	6.4
219.17465	4.5
221.18959	3.2
221.60233	0.8
235.16884	5.0
344.35727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05513	18.8
57.07060	11.0
58.09409	1.6
62.42425	2.0
65.03888	1.9
67.05496	27.6
69.03413	8.6
69.07056	34.9
71.04982	12.0
76.52829	1.9
79.05469	25.4
81.06593	4.1
81.07037	65.9
83.04945	3.6
83.08609	7.5
85.06513	10.3
91.05453	37.0
93.07021	60.6
95.04948	11.0
95.08004	3.6
95.08588	69.7
95.09187	2.6
97.06495	10.2
97.27199	2.0
104.64295	2.0
105.06367	4.2
105.07018	84.2
107.04925	2.2
107.08578	62.2
109.06507	31.4
109.10136	42.7
111.04433	7.5
111.08069	8.9
117.06998	16.5
119.08559	100.0
121.06500	20.2
121.10125	41.3
123.04370	3.3
123.08061	18.7
123.11667	12.8
125.09623	4.9
129.07028	2.4
130.07765	3.1
131.08528	25.6
133.10107	43.4
135.08011	45.3
135.11667	24.2
136.43373	2.2
137.09607	9.2
137.13243	10.8
141.98705	2.0
142.07710	1.9
143.08557	7.9
144.09380	2.5
145.10110	85.0
147.08018	15.2
147.11673	32.9
149.09590	2.6
149.13229	8.9
157.10110	10.7
159.11664	62.8
161.09563	10.3
161.13281	17.3
163.11200	21.2
163.14767	2.4
165.09148	10.8
165.12733	2.1
169.20000	2.3
173.13234	10.8
175.11191	4.0
175.14771	17.7
177.12750	13.6
189.16336	16.9
191.17903	8.3
193.12155	2.6
193.15718	2.3
199.14830	8.4
201.16365	40.2
203.17918	23.0
217.15833	13.8
219.17422	54.4
235.16895	62.8
237.18469	10.6
253.18037	2.9
261.70981	2.0
328.18997	2.1
450.67099	2.2
530.41711	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	506.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58831	1.0
54.81569	2.1
55.01868	9.3
57.03432	18.2
61.02918	13.8
63.16489	1.2
69.03415	26.6
71.01336	3.4
73.02900	76.5
79.05480	2.7
81.03386	2.8
81.07006	1.4
85.02888	48.4
87.04446	2.8
91.05456	1.7
93.06958	1.8
95.04923	1.6
97.02870	37.6
99.04422	1.7
103.05445	13.7
105.07002	7.2
107.04927	15.4
109.02850	3.0
112.62683	1.2
115.03924	19.2
117.07021	1.7
121.06402	1.8
127.03893	15.0
131.04857	3.0
133.04976	14.2
133.06519	1.3
135.08037	14.9
139.03882	5.3
144.06584	2.3
145.04950	10.0
147.04318	1.4
148.05124	1.5
154.06224	76.7
163.06123	2.8
163.07504	44.2
167.06926	2.3
180.07774	6.7
193.04895	1.7
195.10138	100.0
259.78946	1.4
273.11096	1.7
274.69876	1.3
327.31055	1.5
430.74353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05485	0.6
55.18366	0.3
57.03405	0.4
57.07058	0.4
61.02913	0.6
61.76317	0.3
67.05487	0.6
68.82581	0.3
69.03411	2.1
69.07049	0.7
71.04979	0.4
76.61637	0.3
79.05450	1.9
81.03379	1.2
81.07029	2.1
83.04974	0.6
85.02891	6.1
85.06499	0.4
91.05459	2.8
92.36443	0.3
92.93889	0.3
93.07024	2.1
94.07343	0.3
95.04928	0.7
95.08578	0.7
97.02854	1.7
105.06988	1.7
107.08568	1.5
109.06534	0.4
109.10120	0.5
111.08026	0.3
119.08552	1.9
121.10133	0.7
127.03878	0.5
131.08528	0.7
133.10089	1.2
135.08058	0.4
140.64093	0.3
141.06987	0.5
145.04924	0.5
145.10103	0.6
147.11653	0.5
153.06993	0.4
155.08469	0.4
159.11626	0.4
165.06949	2.6
166.07716	0.4
168.05684	1.3
178.07770	0.7
179.08524	1.5
180.08646	0.4
181.06401	0.6
183.08072	2.4
191.08467	0.4
192.09268	1.5
193.06444	2.7
194.07236	1.9
195.08000	1.7
196.05133	6.3
197.05963	6.7
197.09627	0.6
198.06590	0.5
202.07721	0.7
205.06534	0.4
206.07249	0.5
207.04376	21.1
207.07726	2.5
207.11638	1.6
208.08908	0.7
209.09547	0.4
210.06696	1.4
211.07513	15.8
219.08006	0.8
220.08762	2.7
221.05952	7.3
221.09505	1.2
222.06639	2.4
223.07529	3.4
223.10942	0.3
224.04626	1.7
224.08151	0.6
225.05496	0.5
225.09073	5.6
226.09882	3.1
227.03410	0.5
227.07048	0.5
230.05675	0.5
234.06627	1.1
235.07552	1.3
235.11140	3.7
237.09093	2.2
238.06245	0.4
238.09521	0.3
239.06982	52.0
240.07764	0.4
242.05681	11.1
243.10124	2.8
245.09480	0.4
248.08322	2.6
251.07008	1.4
251.10616	0.4
252.11522	0.5
253.08519	8.8
254.09312	12.0
255.10023	1.8
256.07202	1.6
257.08026	60.5
257.33704	0.3
263.10599	9.4
266.09314	0.6
267.10062	0.7
267.13760	1.6
271.09583	22.9
280.10791	0.6
281.33136	0.3
283.09503	1.5
285.11139	4.2
286.11942	100.0
287.12192	1.4
295.13208	9.1
312.13528	0.4
317.16818	0.3
327.15826	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	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.6
53.35864	1.1
54.49931	1.2
55.01867	1.4
57.03428	33.5
59.04989	5.0
60.04504	5.3
61.02917	2.1
64.53558	1.2
69.03414	75.4
73.02919	9.3
73.03248	1.1
74.25783	1.5
75.04469	2.0
82.03015	1.1
85.02892	56.3
85.96478	1.0
87.04446	44.4
91.05470	1.5
97.02870	44.6
103.05455	13.7
105.07027	7.1
107.04938	28.0
108.57229	1.5
109.02889	1.7
111.04404	1.2
114.05283	1.3
115.03909	47.2
115.05395	1.3
117.06969	1.6
120.05669	2.0
127.03876	2.4
129.06966	1.7
131.04932	2.7
133.04945	36.1
135.08051	19.0
135.71623	1.4
139.03888	3.1
144.06555	2.6
145.04944	5.2
146.57777	1.3
148.05116	1.4
150.07602	2.6
154.06221	76.9
154.07491	2.9
163.07509	49.3
167.07005	5.2
173.63451	1.5
175.07486	2.1
180.07758	1.8
195.10133	100.0
207.10156	3.0
219.10054	1.6
273.11185	1.6
291.12183	3.0
309.13281	2.6
351.93494	1.2
419.08047	1.6
493.62857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31150	1.2
55.01855	2.5
55.05491	6.7
56.10807	1.2
57.03429	36.0
59.30054	1.2
61.02909	9.7
67.05490	8.9
69.03414	32.7
69.07053	10.0
71.01357	2.3
71.04971	3.4
73.02906	68.7
79.05470	10.1
80.05888	1.5
81.03385	3.2
81.07039	20.9
83.04972	6.6
83.08595	3.1
85.02889	38.7
85.06541	3.0
86.09686	2.1
87.04444	2.6
89.18985	1.3
91.05468	16.1
93.07019	15.9
95.04953	5.6
95.08581	13.4
97.02870	37.1
97.06499	5.9
99.04463	2.3
103.05437	3.2
105.07025	19.8
105.92268	1.4
107.04220	2.7
107.04946	75.5
107.08577	10.1
109.06490	3.3
109.10162	8.5
109.95893	1.4
111.08042	2.0
115.03899	21.1
115.05433	2.5
117.06978	2.9
119.04913	2.3
119.08559	10.1
121.06479	3.3
121.10139	6.4
123.11705	2.6
127.03891	9.1
131.08513	2.8
133.04980	5.8
133.10138	11.6
135.08040	28.3
135.11659	3.0
137.05983	14.0
137.09653	2.1
138.06351	1.9
144.06602	2.7
145.04971	7.7
145.10085	2.7
147.11661	6.1
149.09570	2.0
154.06284	2.4
159.11707	3.2
162.07607	2.9
163.07506	80.3
165.09149	1.7
167.07001	9.8
171.11626	2.1
173.13214	1.9
175.14772	1.7
180.07741	3.4
187.07520	1.4
195.10135	100.0
196.84280	1.6
198.22804	1.5
236.20012	3.2
303.05023	1.9
307.27048	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30293	0.3
54.81970	0.5
55.05281	0.4
55.05500	4.2
55.44561	0.3
57.05801	0.3
57.07047	0.3
58.06591	0.5
60.60839	0.3
62.24280	0.3
67.05496	0.8
69.07058	15.1
69.07443	0.5
70.06567	0.9
72.08139	22.4
74.02410	3.9
77.68096	0.3
81.06993	0.4
84.08127	7.3
85.04000	0.5
86.09691	100.0
87.20791	0.3
91.05462	0.7
95.04961	0.8
96.08094	0.9
100.07616	0.7
103.05481	0.5
112.07591	1.4
114.09171	0.5
119.04918	1.5
119.08593	0.4
123.04414	1.7
124.11217	0.5
127.08692	0.5
130.08636	1.8
131.04970	0.7
136.07520	4.3
137.06010	1.2
138.12723	0.7
140.14326	15.0
141.10252	1.3
146.06012	1.8
147.04411	1.9
148.07469	0.5
155.15482	0.4
157.46227	0.3
160.07567	2.3
161.09561	0.5
165.05472	3.1
171.07976	0.4
175.07524	1.4
177.09099	0.8
182.08180	1.6
183.14926	0.6
185.09569	0.4
187.11136	0.8
189.05566	0.6
189.09067	7.2
190.12288	0.7
192.06549	1.6
194.11774	0.8
197.16505	0.9
202.12207	9.7
211.14499	1.5
213.08978	0.5
214.12398	0.6
219.10146	0.8
219.14893	0.6
220.13351	0.4
225.15877	0.6
229.13370	0.5
230.11754	0.7
231.10117	5.7
234.01845	0.4
248.12712	6.4
258.11182	0.5
265.15472	2.1
275.13931	2.7
276.12262	0.5
277.15475	0.6
293.14795	1.2
295.16626	1.3
321.14566	1.9
324.22693	0.6
361.21112	0.8
374.20508	1.4
375.19135	1.9
406.23282	4.3
434.22791	23.1
477.30652	2.1
487.29077	1.7
488.27475	27.8
505.30133	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	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57888	0.3
55.01855	0.5
56.96569	0.5
57.03419	0.4
59.67337	0.3
61.02895	0.7
61.56605	0.3
66.50776	0.3
69.03415	2.5
81.03395	0.7
85.02888	9.3
86.27518	0.3
86.83873	0.3
89.03874	1.5
91.05460	1.9
92.08579	0.8
97.02866	2.2
99.04390	0.5
101.17468	0.3
105.07006	6.6
105.65446	0.3
107.04990	0.4
107.08598	0.5
109.02897	0.7
110.25817	0.3
115.05392	0.3
117.03308	0.4
117.06998	2.5
119.04907	1.8
119.08559	2.9
127.03860	1.3
128.06133	0.5
129.06955	3.9
130.07761	3.1
131.08554	2.9
133.10100	1.3
135.04387	2.2
139.03868	0.4
142.07750	8.7
143.08510	2.0
144.09354	0.5
145.02773	0.5
145.10101	100.0
146.10431	0.5
147.04388	7.8
147.07993	0.3
147.11673	4.3
157.06406	0.4
157.10101	23.3
158.08481	0.4
159.08018	1.7
159.11685	3.2
161.09547	1.2
163.03889	6.1
171.07951	1.3
173.09566	4.3
175.07513	1.4
175.11139	14.8
177.05428	0.4
183.08026	0.7
187.07524	0.7
189.05487	0.4
189.09050	0.8
191.10638	0.6
197.05908	1.5
201.09077	3.4
210.92514	0.4
217.08565	1.5
221.08005	0.4
237.00697	1.0
243.06519	1.3
245.08044	2.2
247.09616	7.6
261.07709	0.3
265.10605	5.5
291.08554	20.0
309.09625	6.7
327.10706	0.8
380.00839	0.4
476.50610	0.4
506.23251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.5
57.07060	3.2
59.04985	4.5
65.03921	2.1
67.05492	19.9
69.07056	13.4
71.04971	2.4
79.05460	15.4
81.07045	27.9
83.08583	1.9
85.06519	4.2
89.01107	1.9
91.05456	29.6
93.07023	100.0
95.04949	11.5
95.08578	35.0
97.06458	2.1
97.14314	1.8
105.07011	62.8
107.08575	39.6
109.06516	3.8
109.10137	12.2
117.06979	9.4
119.08556	52.9
121.06432	2.4
121.10120	96.9
123.08024	2.8
123.11668	7.0
131.08534	11.8
133.10112	24.4
135.08014	8.2
135.11671	22.7
145.10127	17.2
147.11639	17.6
149.09622	3.5
149.13242	3.1
157.10069	8.8
159.08066	2.7
159.11673	14.2
161.09647	2.2
161.13213	4.6
168.64336	2.2
175.14812	8.8
191.17920	9.3
191.64580	2.3
193.15842	9.0
201.16359	8.4
203.17871	8.3
205.19505	12.3
219.17407	38.4
221.18941	3.2
237.18460	10.2
249.18515	1.8
251.16199	2.6
294.70776	2.5
384.09003	2.0
518.20471	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	505.2642
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03938	0.4
54.88062	0.4
55.05500	5.0
56.27822	0.3
57.03428	1.0
57.07070	3.1
59.04983	0.9
61.02926	0.7
62.65069	0.4
67.05495	12.6
69.03414	6.7
69.06668	0.5
69.07053	12.8
71.04967	2.8
71.08622	0.7
73.58374	0.4
79.05466	1.8
81.03383	0.6
81.07037	17.8
83.04966	9.5
83.08608	7.7
85.02878	4.8
85.06530	4.3
87.08101	0.4
91.05467	2.3
92.08745	0.7
92.43839	0.5
93.07018	9.7
95.04958	1.8
95.08583	32.6
97.02856	0.5
97.06521	2.0
97.10147	2.3
99.08070	2.5
105.07008	5.1
107.08580	21.4
109.06496	8.8
109.10139	100.0
111.08055	3.7
111.11700	0.6
112.11944	0.5
113.08930	0.4
113.09633	2.0
119.08558	30.3
121.10120	11.0
123.08045	12.0
123.11677	10.4
125.09586	0.9
133.10104	21.9
135.11670	94.0
137.09598	16.1
138.10339	0.6
139.11143	2.1
147.11674	1.9
149.13211	7.0
151.11179	9.6
151.14792	12.3
153.12752	3.8
165.12700	0.5
165.16353	2.9
175.14789	38.4
193.15846	52.9
211.16902	68.9
230.86447	0.6
289.32983	0.4
294.88281	0.4
308.94214	0.4
373.22131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Mycalamide A
Peak:m/z	Relative Intensity
51.60249	0.8
53.03943	1.7
55.05509	1.7
57.03418	6.6
58.06588	1.9
61.02919	8.1
67.05494	2.6
69.03410	22.1
69.07075	2.0
70.06576	7.4
71.04971	2.3
71.40584	1.0
73.02896	5.1
78.72279	1.1
79.05471	5.0
81.03405	8.3
81.07042	9.4
83.04966	2.2
84.08115	1.1
85.02892	31.3
85.84201	1.1
87.04455	7.4
88.03971	12.1
91.05473	5.5
93.07016	8.7
94.41853	1.1
95.08578	8.0
96.08123	1.2
97.02853	13.0
97.06527	1.2
98.97540	1.4
99.04442	2.6
105.06997	13.2
107.08575	8.0
108.08098	1.4
109.02821	1.4
109.10155	2.4
117.06991	2.3
119.08556	8.5
121.10126	4.2
122.09647	1.7
122.40317	1.1
123.04446	1.3
127.03905	7.1
131.08546	5.6
133.10089	6.6
134.09685	2.0
134.99593	1.3
135.11642	1.5
136.11234	1.5
140.07176	1.3
140.15070	1.0
142.08688	1.2
143.08557	2.1
145.04942	2.6
145.10098	5.2
147.11684	7.0
148.11183	1.5
149.09560	1.7
150.12849	1.4
152.10649	2.6
156.06633	1.3
157.10120	2.1
158.09615	2.2
159.11717	5.6
161.13226	3.9
162.12741	2.7
163.14708	1.0
164.10754	1.2
176.14180	1.3
182.11783	1.5
183.79921	1.2
188.14195	1.3
189.16374	4.0
202.15971	1.3
206.11641	1.2
214.15894	1.9
216.17471	4.8
218.11766	2.7
220.95248	1.3
222.14874	2.1
232.16975	7.2
234.18358	7.9
236.12856	6.5
248.20201	1.3
250.17860	7.7
262.18005	1.6
265.11050	2.3
276.19589	2.1
294.20551	4.6
299.85315	1.3
306.20700	5.0
324.12494	1.6
324.21649	8.6
355.53162	1.2
359.81635	1.1
384.28156	1.1
394.22223	1.8
395.84680	1.2
396.23792	6.4
412.23514	4.6
486.26923	55.3
504.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46841	0.7
53.00300	1.0
53.03942	2.0
53.90636	0.8
54.39966	0.9
55.01861	4.7
55.05511	11.6
57.03436	1.5
57.07071	1.5
59.04987	1.0
59.33596	0.9
60.97755	0.8
61.02898	0.9
61.59401	0.8
64.32790	0.8
65.03922	1.0
67.05492	12.7
69.03413	8.6
69.07069	8.7
71.04984	7.4
73.02897	0.9
79.05475	19.7
81.03411	1.8
81.07041	26.1
83.04964	5.6
83.08593	1.5
85.02895	13.3
85.06546	1.1
87.00813	5.4
91.04878	1.7
91.05460	42.9
92.08674	0.9
93.06485	1.6
93.07027	31.5
95.04964	7.5
95.08591	28.3
97.02869	3.7
97.06514	4.2
99.04416	1.8
101.06032	4.5
104.30957	1.0
105.01839	3.9
105.07020	58.0
107.04977	1.0
107.08579	21.0
109.02866	1.8
109.06508	14.4
109.10140	9.4
111.04430	3.6
111.08133	1.5
115.05432	1.4
117.07004	37.0
119.08567	100.0
121.06495	4.0
121.10136	20.0
123.08041	10.3
123.11692	1.5
125.09618	1.8
127.03914	3.8
129.06998	11.3
131.08554	13.8
133.06476	4.9
133.10115	46.6
133.11130	1.6
135.08076	4.0
135.11656	4.7
137.09605	8.2
141.09117	1.6
143.08539	16.9
145.04942	1.8
145.10126	7.2
147.08002	14.1
147.11691	10.9
149.09628	1.4
151.07547	3.6
155.08514	1.8
155.10648	1.3
157.10098	9.3
159.11684	30.2
161.09608	17.5
161.13228	40.2
163.07457	1.1
164.11772	1.2
165.09076	4.0
169.10138	1.5
171.11636	5.1
173.09682	1.2
173.13240	1.5
175.11137	5.9
175.14729	6.4
179.10641	6.7
183.11714	1.4
185.13187	8.7
189.09088	4.1
189.12759	1.8
197.13281	1.5
199.11266	1.2
199.14719	1.5
203.10710	1.4
203.14299	51.9
213.12764	1.1
217.12216	1.7
221.15337	30.7
222.88579	0.9
225.16394	2.1
231.04945	1.0
235.13271	1.1
239.17917	4.0
249.16740	1.0
253.15808	1.2
257.18933	1.9
263.74130	1.1
267.17355	5.1
271.17029	0.9
285.18417	16.0
287.19962	4.5
292.53082	1.0
295.16876	1.7
303.19513	10.3
305.21100	3.7
311.16147	1.2
313.17969	6.4
321.20612	1.5
331.19019	11.9
332.02155	1.0
349.20081	10.3
367.21176	24.2
370.12564	0.9
451.19736	1.0
493.88785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
53.04160	0.8
55.01864	2.4
55.05495	3.7
57.03428	7.1
61.02905	2.3
67.05495	4.1
69.03073	1.2
69.03421	27.9
69.07055	1.8
71.01316	1.2
71.04958	5.2
73.02897	6.0
73.76479	0.9
79.05483	2.4
79.98308	0.8
80.59961	1.0
81.03407	21.1
81.07019	6.2
83.04958	5.8
83.08602	1.0
85.02895	69.1
85.06522	1.4
87.04478	1.6
90.19147	1.1
91.05450	6.9
93.07021	6.1
95.04938	2.2
95.08575	5.4
97.02879	39.6
97.06517	1.5
99.04440	47.0
99.08053	1.3
103.03925	71.5
103.05436	4.8
105.07032	9.6
107.04945	14.4
107.08584	12.2
108.08869	1.3
109.02868	47.8
109.06476	5.0
109.10143	4.1
111.04420	0.9
113.35338	0.9
114.89817	1.0
115.03895	1.3
115.05457	3.4
117.06998	6.0
119.08548	5.2
120.95882	1.0
121.06476	6.4
121.10119	9.6
122.10410	1.1
123.04391	1.6
125.09614	1.5
127.03896	100.0
129.07001	1.6
131.04880	5.9
131.08527	4.8
133.06470	5.5
133.10106	26.8
134.10403	7.9
135.08052	8.0
136.08334	1.3
137.05943	12.0
137.09624	12.8
138.09892	4.2
141.06981	1.7
143.04944	0.9
145.04939	33.3
145.06461	8.6
145.10126	1.6
147.04367	10.7
147.11688	1.9
148.05128	1.2
149.05945	2.4
149.09584	2.3
149.13199	7.5
151.07532	5.3
151.11186	8.3
152.11467	2.3
153.12309	1.0
157.06448	1.6
160.08717	1.3
161.06033	1.0
163.03853	1.1
163.05980	23.6
163.07507	8.0
163.14861	1.0
165.09061	6.1
165.12749	1.3
169.05069	1.5
169.06491	1.9
173.05879	1.2
173.13234	1.9
175.07529	5.8
175.11122	7.0
177.09073	4.8
179.06960	1.4
181.08577	14.9
183.08092	1.4
187.05916	5.5
187.07497	1.8
189.09088	2.2
191.07007	4.3
191.14313	14.1
191.15973	1.6
192.14624	4.7
193.08601	1.6
197.05910	2.0
201.09102	5.6
205.06902	1.5
205.08559	5.1
209.15347	16.2
210.15678	5.8
211.07590	1.3
214.06039	1.5
217.08635	1.7
219.37451	1.0
221.08089	1.9
228.07910	1.9
229.08574	6.4
240.05064	0.9
243.10045	4.9
247.09772	3.4
271.08072	6.1
271.10077	1.8
289.08817	2.8
289.10950	2.9
307.10446	6.5
342.28998	1.1
367.13776	6.0
451.16153	1.5
504.18985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21305	0.6
55.01631	0.7
55.01872	12.1
57.03431	25.3
59.04984	3.6
61.02914	16.6
67.05490	0.6
69.03416	36.8
71.01339	4.2
71.04964	1.0
73.02901	58.9
77.70485	0.6
79.99817	0.7
81.03400	3.9
83.01303	0.8
83.04985	1.0
83.82722	0.6
85.02892	100.0
85.06528	0.8
87.04454	6.5
91.03939	4.6
95.04934	0.8
97.02874	57.3
99.04441	4.6
103.03945	3.6
103.05447	3.0
107.04958	1.2
109.02871	9.5
109.75354	0.8
111.04513	2.6
115.03922	29.0
120.08088	47.0
121.08408	11.4
123.04382	0.9
127.03896	26.3
131.04910	1.3
133.04942	33.3
139.03876	2.7
145.04947	34.0
145.08585	0.9
157.04907	5.0
163.05988	16.3
166.08611	10.1
167.08878	2.5
169.04906	0.9
180.73792	0.8
198.18538	2.8
199.05934	1.5
211.05986	4.1
217.21712	0.7
223.11720	10.5
229.07040	5.3
241.07076	1.6
247.08163	6.5
259.08115	6.9
265.09161	11.0
281.70053	0.9
295.10245	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	504.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.3
54.57091	2.1
55.01863	16.9
55.05503	29.6
56.61773	1.7
56.96557	3.9
57.03433	9.3
57.07064	3.5
59.04982	9.6
59.96124	1.7
61.02910	5.3
65.03941	2.8
67.05493	48.5
69.03417	41.2
69.07063	26.2
71.04981	17.1
73.02895	5.4
78.98981	1.8
79.05481	58.4
79.05902	3.7
81.03400	24.9
81.07041	96.7
81.07529	3.3
83.04971	26.3
83.08623	9.4
83.09109	1.8
83.89819	2.5
85.02895	61.4
85.06526	5.4
87.00825	28.2
90.65935	1.9
91.05464	81.1
93.07028	75.0
94.07387	3.4
95.04944	39.2
95.08591	81.4
96.08887	3.2
97.02888	26.8
97.06523	14.1
98.41299	2.0
99.04427	15.6
103.05467	3.7
105.01845	17.0
105.07019	81.8
107.04907	3.0
107.08585	45.8
108.08926	2.7
109.02857	19.9
109.06493	30.3
109.10131	25.7
111.04409	8.3
111.08071	12.3
115.03893	3.2
117.01889	2.7
117.07011	19.5
119.08566	78.9
121.06468	8.1
121.10130	26.6
122.10439	2.6
123.08049	14.7
123.11706	11.5
125.05971	3.0
125.09598	4.7
127.03883	27.0
127.07563	2.4
129.05493	10.5
129.06970	9.5
131.04901	2.6
131.08580	28.3
133.06453	3.9
133.10103	41.9
135.08044	12.0
135.11713	23.2
137.05968	3.6
137.09610	10.9
137.13266	4.9
139.07442	4.1
143.08519	10.2
144.09334	2.8
145.04935	9.8
145.10078	21.8
147.08069	11.2
147.11661	18.7
149.09648	13.2
149.13109	3.1
151.07512	3.7
151.11169	4.7
155.07028	3.1
157.10117	9.6
159.02925	9.6
159.08057	2.9
159.11638	21.5
161.09581	11.3
161.13234	100.0
162.13550	2.5
165.09052	4.1
167.10663	2.5
169.10045	3.5
172.81804	2.1
173.13225	3.7
175.11192	5.4
175.14813	17.2
179.10715	2.9
179.14301	14.3
183.10104	2.9
185.13284	9.5
187.14751	2.9
191.10626	3.1
203.14326	14.3
203.17906	3.7
205.15921	2.7
221.15350	39.7
231.05141	2.7
239.16345	29.5
247.54878	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	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11551	0.6
53.92993	0.8
54.19369	0.9
54.20514	0.7
55.01842	0.9
55.05497	4.2
57.03431	1.4
57.07071	1.3
59.04992	1.1
61.02908	1.2
67.05487	4.6
69.03412	10.7
69.07057	10.3
71.04988	6.4
73.02895	1.0
79.05470	4.0
81.03401	1.6
81.06587	1.4
81.07033	14.3
81.76750	0.8
83.04958	12.9
83.08600	4.5
85.02879	9.2
91.05470	2.0
93.07029	10.1
95.04953	5.5
95.08579	24.2
97.02870	1.3
97.06523	3.6
99.08068	5.5
105.07007	8.6
106.96304	0.8
107.04951	1.0
107.08578	44.0
109.06503	11.0
109.10144	16.3
111.04450	1.0
111.08071	3.8
119.08543	6.9
121.06478	3.9
121.10122	43.1
123.08023	6.7
123.11674	5.7
125.09605	16.6
131.08543	6.2
133.10112	27.4
135.02290	0.8
135.08018	17.6
135.11676	6.9
137.09604	15.8
139.11139	5.2
143.08580	1.2
145.10094	5.3
147.11684	8.1
149.09616	13.4
149.13242	26.9
149.14465	0.9
151.11162	100.0
153.09091	1.8
158.10896	4.9
158.69720	0.9
163.14793	10.2
165.12656	10.1
173.13220	19.7
191.14275	66.7
199.92801	0.9
209.15332	92.9
210.15598	0.9
219.72572	0.9
286.65875	0.9
503.18814	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	503.2483
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05500	1.3
57.03423	0.6
57.07056	0.5
67.05480	1.6
68.32287	0.3
69.03416	3.5
69.07044	2.2
71.04979	0.4
79.05477	3.0
80.37344	0.3
81.07039	6.9
83.04964	0.7
83.08609	0.5
85.02888	2.0
87.88662	0.3
91.05438	3.0
93.07030	2.3
95.04967	0.4
95.08593	1.5
97.02881	0.7
97.06504	0.4
103.05411	0.4
105.06999	4.4
107.04925	1.6
107.08575	18.0
109.06484	5.7
109.10139	5.4
115.05426	0.8
117.07005	2.4
119.08566	2.5
121.06490	0.5
121.10114	12.5
122.07246	3.1
123.08009	0.7
131.08571	2.4
133.10101	100.0
134.86678	0.3
135.08025	14.2
135.11667	0.7
137.09590	65.3
143.08543	0.5
145.10104	0.7
147.11703	1.4
148.58487	0.4
149.13235	13.0
151.11098	0.7
158.10889	1.8
163.14824	2.4
165.12723	0.6
173.13217	5.3
191.14270	30.9
209.15327	18.6
209.17326	0.4
217.74304	0.4
385.47852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35572	0.6
54.66602	0.7
56.96569	0.8
70.63319	0.6
73.02898	1.0
79.05470	1.5
80.95676	0.7
85.02916	0.7
89.54722	0.8
94.06549	4.4
98.97592	1.7
108.80579	0.8
110.06052	0.8
122.06002	3.9
134.06010	1.0
136.07550	3.9
137.05988	1.6
146.08359	3.1
161.05887	1.5
162.05478	1.2
164.06998	1.4
168.08041	1.6
169.08862	1.6
170.08272	1.3
170.09624	1.0
172.07610	0.9
173.07100	1.1
174.07838	1.7
181.08902	2.9
182.08235	1.0
182.09685	4.0
183.09152	1.5
184.09875	1.6
184.11258	3.3
185.07082	1.5
186.09055	1.3
194.09689	1.7
195.05441	1.2
195.09103	5.7
196.09874	26.5
197.10579	7.6
198.07886	1.7
199.08649	1.6
202.10873	2.8
203.11743	1.8
206.08360	54.1
209.07065	5.2
209.10710	5.0
210.11441	6.2
211.08942	5.4
211.12257	27.6
212.09258	1.7
213.06641	1.2
213.10262	1.3
220.09946	9.6
221.10716	21.2
223.08603	16.1
224.09412	22.7
224.38606	0.8
225.10175	1.4
226.10948	3.1
227.08107	8.7
227.11668	1.6
229.13235	1.1
237.10271	7.9
238.10985	18.0
239.08247	5.3
239.11734	55.0
240.08649	1.2
241.09729	5.0
252.08928	3.8
254.10443	3.4
255.11143	0.9
256.12076	1.3
257.12750	12.2
267.11218	100.0
272.11496	1.9
275.13834	1.4
285.12283	67.8
303.13327	71.7
321.14407	11.3
327.68658	0.9
379.52463	0.9
418.68146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.8
55.05481	1.0
55.50089	1.0
57.03427	2.7
60.36562	1.0
62.76569	1.0
62.95097	0.9
67.05474	2.1
69.03411	2.9
69.07040	5.0
70.06550	1.8
71.04967	1.4
72.08142	1.9
73.02892	7.2
77.99062	1.2
79.05489	1.3
80.05802	1.2
83.04951	1.1
85.02885	5.3
91.05449	2.2
93.07012	1.5
94.06544	11.3
95.08582	1.9
97.02859	1.8
97.06499	1.7
97.41617	1.2
101.05997	2.9
104.04980	1.2
105.05749	2.0
107.08575	2.3
108.08083	6.2
111.04388	1.2
112.07582	6.9
118.06498	11.3
120.08077	2.4
122.03633	2.8
122.05996	9.5
124.07523	1.3
126.54105	1.3
128.04953	1.5
131.04918	2.5
136.07561	4.8
137.05952	91.7
138.06291	27.7
138.88741	1.4
139.03867	2.5
145.07602	19.8
146.05946	10.5
146.08405	17.9
146.09578	2.5
147.04358	4.5
147.09135	1.3
148.07506	2.8
148.11169	2.6
153.12712	1.8
158.09605	4.8
161.07085	4.7
162.05331	1.4
163.07437	2.9
169.08852	1.4
170.08321	2.1
170.09625	1.7
171.09169	1.5
173.07066	85.3
173.10683	8.6
174.07840	38.1
174.09192	2.5
174.11470	11.9
175.12253	9.5
176.10657	2.2
183.09196	2.3
184.11211	4.5
186.09109	2.6
187.08696	3.8
189.10172	4.6
193.13432	1.8
194.09567	2.5
195.05513	1.6
195.09122	6.2
196.09898	24.6
196.11372	1.7
197.10638	8.7
199.08530	1.6
200.09383	1.9
201.10201	12.2
201.13948	1.3
202.10974	39.2
203.11763	34.4
204.10114	1.5
206.08363	44.4
209.07115	4.4
209.10637	2.1
210.07913	2.1
210.11502	6.1
211.08711	2.4
211.12262	34.4
212.10680	5.4
213.10173	1.7
215.11655	2.2
220.09943	8.7
221.10693	18.6
221.12807	6.0
223.08566	12.7
224.09389	22.0
226.10945	2.7
227.08115	5.3
227.11679	2.3
228.08659	1.4
228.12622	1.6
229.13329	14.9
237.10173	7.3
238.10979	13.9
239.08041	4.3
239.11726	54.6
241.09712	2.4
245.12775	1.6
247.14423	1.8
252.09036	1.7
257.12762	56.5
257.48111	1.2
267.11209	99.5
275.13828	31.8
285.12262	84.9
285.15497	2.4
293.14911	8.6
294.07745	1.4
303.13324	84.2
321.14380	100.0
322.06943	1.5
365.63602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03438	0.8
57.88926	0.6
61.02918	1.0
66.38896	0.7
69.03402	3.1
69.07058	0.9
69.94508	0.7
70.03746	0.6
70.06573	0.8
73.02889	3.8
79.05489	1.3
81.07027	1.0
85.02883	3.8
87.04548	0.8
89.51065	0.7
90.70831	0.7
91.05461	1.5
92.63979	0.8
93.07013	4.3
94.06551	5.6
94.67587	0.7
95.04969	0.8
95.08584	1.3
97.02870	1.7
97.06490	0.9
98.97575	1.5
107.08545	5.3
108.08141	1.5
109.02824	0.9
110.06052	0.9
112.07613	1.1
115.03927	0.7
118.06564	1.5
122.03648	1.0
122.05990	6.3
124.07619	0.8
127.03935	1.6
131.07349	0.9
132.08058	0.8
134.05989	1.1
135.11687	4.6
136.07541	5.9
136.12021	1.0
137.05959	31.2
138.06305	10.1
145.07584	3.6
146.06001	1.4
146.08397	10.4
146.09584	1.1
147.04379	4.1
147.09190	1.1
148.07562	1.6
148.11205	1.5
150.05438	0.9
153.12735	4.3
154.13023	1.1
158.09619	3.9
161.07111	1.2
162.05513	1.4
164.07033	1.6
167.07053	0.7
168.08090	1.0
169.08813	1.2
170.08360	0.9
171.13751	1.1
172.01027	0.8
173.07072	12.6
173.10753	3.1
174.07838	20.6
174.09146	1.3
174.11548	3.8
175.12267	5.0
181.08887	1.6
182.08200	2.9
182.09636	1.2
183.09146	3.6
184.09882	1.9
185.07050	1.6
185.10530	0.9
186.09171	0.8
187.08595	1.2
194.09654	4.0
195.05475	1.0
195.09114	5.4
196.09903	22.9
196.11290	1.4
197.10677	9.0
198.07799	1.0
199.08611	1.0
200.09268	0.9
201.10223	4.4
201.13806	1.4
202.10971	13.4
203.11766	19.6
206.08365	45.9
209.07060	5.1
209.10715	1.6
210.11450	5.6
211.08739	3.5
211.12283	31.9
212.09213	1.8
212.10945	1.1
213.06656	0.9
214.10905	0.9
215.11909	1.0
220.09915	7.6
221.10698	20.0
221.12759	1.5
223.08598	14.3
224.09409	19.2
225.10243	1.6
226.11006	3.4
227.08092	6.1
227.11794	1.0
228.08907	1.3
229.09758	1.3
229.13361	8.1
237.10185	8.4
238.10979	13.7
239.08018	3.8
239.11746	62.6
241.09720	3.7
245.12830	1.3
247.14360	1.3
252.08974	4.1
255.11287	1.3
257.12787	36.0
267.11224	100.0
268.11801	0.9
272.11420	1.2
275.13852	14.6
285.12283	70.8
297.50174	0.8
303.13321	68.2
321.14383	55.3
413.47128	0.9
441.14163	0.8
501.18887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81510	3.5
55.05513	4.8
57.07051	3.7
60.09133	3.9
62.91036	4.3
73.40382	3.6
79.05503	4.7
81.07060	4.7
91.05467	5.8
93.07029	8.6
105.06989	4.5
112.96416	4.5
119.08570	16.9
121.10114	7.2
124.54462	4.8
145.10138	5.7
162.27881	4.4
177.08842	7.4
188.07434	4.0
203.10413	25.4
204.11057	4.9
217.15778	5.0
245.15074	100.0
251.71088	3.8
259.16644	66.6
263.16122	25.0
277.17673	6.5
278.18115	8.9
279.18198	6.6
299.82321	4.6
322.31949	4.3
439.31396	5.2
498.36218	30.4
499.36652	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
54.81743	1.6
55.01865	2.5
55.05504	13.8
55.77637	1.3
57.03434	3.4
57.07062	1.6
59.04982	7.9
62.13897	1.4
65.03939	1.4
65.32838	1.4
66.16521	1.6
67.05493	19.8
69.03404	9.0
69.07054	11.6
71.04969	11.4
75.04460	2.2
79.05474	33.1
81.03387	3.0
81.07037	89.3
83.04956	19.9
83.08598	4.0
85.02892	9.8
85.06537	3.2
91.05454	28.2
92.46213	1.7
93.07025	51.8
95.04953	13.7
95.08587	39.1
97.02863	3.5
97.06501	11.0
99.04419	2.0
99.08093	2.9
103.05450	1.9
105.04345	1.8
105.07012	46.5
107.08578	74.9
109.06496	13.8
109.10151	21.4
111.04421	1.7
111.08058	10.9
115.05406	2.3
117.07024	12.0
119.08555	44.7
121.06477	7.2
121.10121	35.8
123.08032	15.5
123.11658	11.6
125.05992	2.4
125.09601	44.0
125.10444	3.1
127.03889	2.5
127.07540	2.1
129.06979	2.9
131.08516	21.6
133.06419	3.4
133.10103	36.7
135.08044	7.6
135.11690	13.0
137.09564	7.7
137.42529	1.8
139.11125	2.0
142.07680	2.8
143.08556	13.8
144.09349	3.0
145.10095	29.3
147.08044	8.3
147.11674	27.5
149.09605	28.4
149.13243	4.0
151.11188	8.2
157.10057	13.9
159.11661	32.8
161.09630	12.5
161.13208	13.6
163.11163	9.8
165.09055	2.1
165.12772	17.7
169.10115	2.7
171.11650	10.5
173.13185	21.3
175.11200	9.4
175.14801	8.9
177.08987	2.7
177.12761	3.2
185.13187	10.4
187.14841	8.8
189.12723	10.0
191.14253	30.5
197.13164	2.7
198.51408	2.0
199.14851	9.4
201.12787	2.1
201.16386	3.0
205.15851	4.2
211.14746	6.3
213.16321	2.4
215.14200	2.9
217.15851	7.1
221.15327	1.9
227.17932	9.5
235.17004	3.1
255.21037	2.3
257.22733	1.7
267.20972	10.4
273.22162	13.4
285.22052	30.8
303.23093	28.4
321.24170	100.0
500.48361	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76943	0.4
74.02415	0.5
75.05313	0.4
75.96442	0.4
80.44287	0.5
81.07046	0.5
85.02872	0.5
91.05429	0.5
99.09889	0.4
107.08593	0.5
117.05705	0.5
117.06995	1.1
118.05725	1.0
118.06518	21.8
130.06494	1.9
132.08076	8.3
137.01904	0.4
137.05936	2.2
141.41620	0.4
142.06491	1.1
143.07298	3.1
144.08067	17.8
145.08315	0.8
146.05984	87.2
147.06288	2.1
159.09151	8.2
160.07512	0.7
170.05977	6.1
174.48648	0.5
178.80608	0.4
188.07031	100.0
189.07344	2.4
193.40482	0.5
205.09689	28.3
206.10066	0.6
442.38431	0.5
510.15222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24216	0.6
50.24510	0.5
50.38286	0.5
53.03931	1.7
55.05511	0.7
57.03413	3.6
61.02910	1.3
67.05469	1.1
69.03411	7.9
69.07047	3.0
71.04971	2.8
71.85757	0.6
73.02898	3.6
79.05479	1.0
81.03400	10.5
81.07032	4.1
85.02892	9.2
85.06537	1.2
91.05448	1.6
93.07015	1.5
95.04935	0.8
95.08582	4.0
97.02869	8.6
97.06535	1.5
98.97555	0.7
99.04450	1.6
101.53345	0.7
105.07005	3.5
107.04939	82.7
107.08560	2.8
109.02858	5.4
109.06475	0.8
109.10145	4.1
115.03878	0.9
115.05423	1.0
115.80365	0.8
117.06994	6.1
119.04958	1.2
122.06001	0.9
123.11678	2.9
126.01453	0.8
127.03902	4.8
131.04927	3.4
133.05104	0.9
133.06464	1.8
133.10159	0.7
134.05992	1.5
137.05930	3.4
139.03882	0.7
140.34276	0.7
144.08122	1.1
145.06467	31.4
146.05983	11.8
147.06795	0.8
151.11200	3.5
153.01755	1.0
154.06453	0.7
155.06041	2.7
156.08078	3.6
159.06802	3.0
160.07550	32.5
161.05963	1.0
169.12230	3.3
171.06776	5.5
172.07533	20.0
173.08218	0.9
174.09109	25.7
183.06802	1.3
184.07526	18.2
185.08241	0.7
187.06003	1.7
187.16927	1.0
246.09056	1.5
249.07693	7.3
250.08362	2.2
251.09387	8.6
252.10114	1.7
260.10681	2.8
262.08514	10.3
263.09357	17.9
264.10120	1.4
266.11697	50.3
266.14554	1.6
276.10272	3.5
278.11694	100.0
279.12054	1.1
295.14368	8.0
340.96002	0.8
383.90851	0.8
470.17987	23.7
482.17996	41.7
499.20609	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	498.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.43475	0.4
55.01853	3.1
55.05503	6.0
57.03429	8.0
57.07066	2.8
59.04982	2.0
61.02913	4.5
67.05490	12.5
68.05811	0.4
69.03416	13.2
69.07053	41.8
71.01328	1.7
71.04976	6.2
71.10371	0.4
73.02899	20.0
77.57245	0.4
79.05469	3.2
79.74371	0.4
81.03412	2.9
81.07034	20.5
82.07372	1.7
83.04976	0.7
83.08598	2.6
85.02885	20.8
85.06529	7.7
86.06833	0.8
87.04470	1.7
91.05456	2.0
93.07012	6.7
95.04942	1.8
95.08583	13.9
96.08917	0.8
97.02866	17.3
97.06486	1.6
97.10136	3.2
98.97550	0.7
99.04424	0.9
99.08072	0.9
103.03928	0.6
105.07035	2.9
107.04897	0.5
107.08572	13.6
108.08876	0.4
109.02857	2.5
109.06524	1.9
109.10140	100.0
110.10477	2.0
111.08034	0.7
113.05979	2.2
113.09633	2.3
115.03925	6.3
119.08540	2.4
121.06477	0.6
121.10125	4.5
123.08121	0.4
123.11680	16.6
123.12545	0.8
124.12048	0.6
125.09627	2.5
127.03894	4.4
127.11164	14.5
131.08554	0.7
133.04935	4.5
133.10078	4.1
133.37607	0.4
135.07999	0.6
135.11681	2.4
136.12103	0.6
137.09610	5.1
137.13222	2.1
139.11205	1.0
143.14322	0.4
145.04964	3.5
145.10080	0.5
147.11691	0.8
149.13222	2.2
151.07652	0.4
151.11165	6.9
153.12704	1.5
155.10667	2.7
159.11662	0.4
161.13187	0.5
163.14781	0.9
167.07027	0.4
169.12196	15.3
171.13789	1.8
181.04936	0.5
182.12798	0.4
187.13246	22.2
189.09151	0.5
189.16348	0.5
241.07033	0.6
245.22733	0.7
246.22986	0.7
259.07910	0.8
263.23700	2.1
265.14371	0.7
274.11496	0.5
281.24661	4.5
282.25159	1.6
299.25806	2.3
317.26782	0.9
318.26913	0.5
335.27872	0.8
396.73477	0.5
438.41257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51535	0.5
53.03930	0.6
55.01868	8.0
55.05510	0.7
56.51212	0.6
57.03431	17.3
57.07061	2.8
59.04991	4.0
61.02922	8.1
63.92078	0.5
67.05492	5.9
69.03141	0.6
69.03416	20.5
69.07057	23.1
71.01342	3.4
71.04969	2.5
73.02900	27.7
77.03407	0.6
79.05479	2.3
81.03408	3.7
81.07041	24.3
83.04978	0.7
83.08607	0.6
84.59669	0.6
85.02892	37.7
85.06554	0.9
87.04458	3.9
91.05477	1.0
93.07015	2.5
95.04945	3.9
95.08578	5.7
97.02871	25.0
98.97600	0.9
99.04453	1.3
103.03919	1.5
105.07017	1.1
107.08577	7.2
108.41707	0.6
109.02876	3.1
109.06503	1.3
109.10144	15.0
113.06005	0.8
115.03900	11.1
121.10115	3.0
123.11688	100.0
127.03886	9.1
131.08485	0.6
133.04956	12.9
133.10161	2.1
137.05963	1.3
145.04926	7.3
145.10152	1.3
151.11163	23.6
163.06013	1.4
169.12190	25.9
187.13316	0.8
193.04919	0.9
223.06076	0.7
241.07068	0.9
259.08063	1.0
278.24207	0.6
283.15308	5.5
295.10257	0.9
301.16406	4.0
313.16364	4.1
382.22485	0.6
403.26266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
54.43082	0.5
55.01849	3.0
55.05505	18.6
57.03409	1.0
57.07063	1.1
59.04959	1.2
65.03924	1.3
67.05177	0.9
67.05496	11.8
69.03396	2.7
69.07055	6.2
71.04608	0.8
71.04974	16.2
79.05475	54.9
81.03423	1.0
81.07040	43.4
83.04969	7.3
83.08611	4.7
85.02879	2.5
85.06513	3.8
91.05463	24.2
93.07023	24.8
95.04950	11.7
95.08585	13.2
97.06502	4.4
97.10146	5.2
99.04443	1.1
101.05999	1.2
103.05456	1.5
105.04492	0.9
105.06367	1.1
105.07015	22.4
107.04920	1.4
107.08576	100.0
109.06499	9.0
109.10156	5.2
111.08038	2.7
115.05441	1.1
117.07011	6.3
119.06059	0.8
119.08561	14.8
121.06470	3.8
121.10133	8.0
123.08019	1.4
123.11662	1.3
125.05962	0.7
125.09606	28.7
128.06206	0.7
129.06999	1.0
130.07736	1.0
131.04910	0.7
131.08560	8.6
133.06448	0.7
133.10110	9.6
135.07999	3.2
135.11668	8.9
137.09573	1.0
141.09048	1.3
142.07802	0.7
143.08507	2.8
145.10092	7.2
147.08057	0.8
147.11662	2.6
148.10239	0.7
149.09569	2.8
149.13242	2.7
151.11134	1.5
157.10091	3.6
159.11676	6.1
161.09563	2.2
161.13281	1.0
163.11179	2.8
165.12694	0.8
172.17757	0.6
173.13145	0.8
175.11157	1.5
175.14763	1.1
177.12749	2.5
179.10606	0.8
193.12177	0.7
195.10110	1.0
199.14816	0.9
201.16281	1.5
217.15822	0.8
219.17406	3.4
237.18483	0.8
339.73819	0.7
358.67496	0.6
437.21552	0.8
516.13348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66758	0.8
53.00300	1.1
53.03939	1.9
54.04745	0.8
54.81662	0.8
55.01872	11.0
55.05503	35.5
56.05840	1.4
57.03426	18.7
57.07065	8.4
59.04971	1.4
60.52658	0.9
61.02912	7.8
65.03909	1.0
67.05492	36.8
68.05823	1.5
69.03416	16.7
69.06668	1.4
69.07053	35.1
70.07388	4.8
71.01328	1.1
71.04972	9.0
73.02901	11.4
73.06531	1.4
75.70558	0.9
78.23447	1.0
79.05479	21.8
79.12178	0.8
81.03394	13.5
81.07036	57.1
82.04173	5.4
82.07355	4.0
83.04961	11.6
83.08611	15.8
84.05739	1.4
85.02896	24.2
85.06529	40.7
86.06846	4.0
87.04460	2.0
91.03950	3.7
91.05461	16.1
93.07021	33.6
94.07367	1.7
95.04942	15.9
95.08584	39.9
96.08923	5.0
97.02861	13.1
97.06502	9.0
97.10145	22.6
98.07303	7.9
98.10445	1.9
99.08054	3.7
99.58718	1.0
101.05982	1.6
105.06996	10.5
107.04947	1.9
107.08578	23.6
108.08881	1.3
109.02887	1.8
109.06499	4.3
109.10142	67.6
110.10471	5.8
111.04461	1.2
111.08051	7.3
111.11700	1.9
113.09625	17.0
115.03921	1.8
115.05379	1.2
116.04693	12.0
117.06997	4.3
119.08572	7.1
121.10121	13.0
122.10425	0.9
123.08025	5.9
123.11693	14.1
125.09613	24.2
126.09915	1.5
127.03912	4.2
127.11179	4.5
129.05453	31.7
129.06955	2.3
131.08533	3.8
133.04916	1.3
133.10153	8.6
135.08038	2.1
135.11673	12.6
136.08748	1.0
136.12006	1.5
137.09604	13.0
137.13242	2.1
139.11150	6.9
141.12729	1.5
143.07008	6.3
145.04942	1.5
145.10065	1.4
147.08080	1.1
147.11697	6.1
149.09621	1.1
149.13240	4.9
151.11203	1.4
151.14755	1.3
153.12746	5.8
154.13081	1.1
155.10670	4.7
157.08585	15.6
157.09972	2.6
161.95845	1.0
163.11107	1.2
163.14778	1.6
165.12689	1.1
169.12218	6.5
171.10132	6.8
171.13770	21.9
172.14139	4.5
175.11157	1.1
185.11653	1.1
187.13245	7.6
189.11203	10.6
189.16348	1.7
193.12175	4.5
199.13309	2.4
200.13969	3.3
207.17439	1.1
227.12741	31.7
245.22690	3.7
263.23569	5.9
264.24011	1.7
267.15918	2.1
281.24725	23.9
282.25006	12.4
283.15308	1.2
284.16162	1.1
299.25693	7.0
300.26028	2.2
301.16391	100.0
317.26901	4.4
318.27005	3.5
335.27844	4.8
336.28131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42252	0.7
66.99641	0.9
80.02414	1.1
89.06014	3.9
94.04054	1.1
102.28453	0.9
151.07300	1.9
165.08836	29.2
165.10072	1.4
167.57109	0.9
177.08853	4.4
177.38812	1.0
217.11935	1.6
245.15053	1.6
259.16641	15.3
261.14563	100.0
261.18146	5.6
275.16068	4.3
276.16876	17.0
277.17691	35.6
277.20596	1.8
293.17282	7.2
431.66296	1.2
497.29175	1.6
497.35931	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19883	1.1
64.33873	0.9
89.06024	2.2
157.24484	1.3
177.08809	7.4
205.11996	13.7
217.11975	12.8
229.15527	1.3
259.16620	8.1
261.14584	100.0
261.17957	5.5
275.16122	6.8
276.16928	16.1
277.14734	1.4
277.17706	37.0
293.17120	20.7
296.31042	1.1
357.83881	1.3
374.71344	1.1
442.67358	1.2
497.35892	50.9
520.05408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01861	0.7
57.03422	2.5
59.60912	0.5
63.57895	0.5
66.08453	0.5
69.03395	3.1
70.27879	0.5
70.38765	0.5
79.05482	0.8
81.03421	1.5
85.02891	7.2
89.78826	0.6
91.05466	2.5
93.07021	2.3
95.04967	1.3
97.02862	2.5
100.70715	0.6
101.49279	0.8
103.05450	3.7
105.06995	1.0
107.04935	1.5
107.76491	0.7
119.04953	1.2
121.06473	7.8
123.04395	4.0
124.05163	0.6
127.03840	1.5
131.04889	5.5
131.05743	0.5
133.02820	2.4
133.06451	1.0
137.05937	7.6
139.03897	1.0
140.04651	3.8
148.05199	1.2
149.05981	14.3
151.03860	1.0
152.04602	0.7
153.05455	1.1
155.06993	1.0
159.04393	3.6
161.05963	0.7
163.07422	0.7
165.05464	2.4
166.06253	1.1
167.07005	100.0
176.04538	0.7
177.05437	27.8
179.06998	1.3
181.08514	1.0
182.05759	6.2
191.07030	0.9
193.08553	0.8
195.06454	1.0
197.08015	1.1
209.08057	12.5
211.09613	2.9
225.07628	1.1
227.09142	19.2
271.11624	2.3
285.13263	1.4
301.12842	11.0
379.90472	0.7
401.79279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.46828	0.2
53.90934	0.2
55.01878	1.6
55.05500	2.6
56.96559	0.2
57.03428	4.4
57.07063	0.9
58.03764	0.2
59.04973	1.2
61.02908	1.8
65.13063	0.2
67.05492	16.1
67.05852	0.5
68.05851	0.2
69.03416	4.8
69.07055	8.2
70.07369	1.1
71.01326	0.3
71.04975	3.2
72.04487	0.3
73.02897	3.6
79.05486	2.2
81.03391	1.5
81.07035	21.5
82.07378	0.4
83.04962	0.4
83.08615	1.8
85.02895	7.7
85.06532	5.1
87.04436	0.4
91.05457	1.0
92.64159	0.2
93.07012	3.6
95.04960	3.5
95.08582	8.4
96.08948	0.3
97.02883	3.7
97.06509	1.5
97.10133	1.0
98.72888	0.3
99.04430	1.0
99.08068	1.2
105.07014	0.5
107.08582	3.1
108.08898	0.2
109.02863	0.3
109.06491	1.3
109.10141	100.0
110.10486	0.5
111.08129	0.3
113.05996	3.0
113.09602	0.6
115.03936	1.2
118.84795	0.2
119.08559	1.3
121.10132	1.4
123.11683	1.2
125.09609	0.5
127.03880	1.0
127.11189	2.6
133.04958	1.5
133.10094	0.4
135.11684	1.4
137.06020	0.8
137.09596	29.1
139.11169	0.6
141.12717	0.3
145.04936	0.6
149.13268	0.5
150.05482	2.6
151.05829	0.5
151.14816	0.3
153.12672	0.4
155.10643	19.0
157.12256	0.5
163.05960	0.3
166.04955	1.0
167.05301	0.3
169.12207	7.4
169.15898	1.4
171.13745	1.7
173.11787	0.3
181.04994	1.0
187.07538	0.2
187.13257	13.5
187.16946	0.5
218.11798	0.9
219.12135	0.5
232.09566	0.2
246.11281	0.3
247.11678	0.4
263.23621	0.3
281.24768	1.3
282.25195	0.5
292.10941	0.3
299.25974	0.4
300.26260	0.9
312.73358	0.3
317.26929	0.4
318.11612	0.9
335.12354	1.4
336.12662	3.8
337.09259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.2
53.03936	9.1
54.82021	1.7
55.01864	8.7
55.05505	36.1
57.03430	43.6
57.07064	3.1
61.02919	91.8
67.05495	98.9
69.03418	43.3
69.07064	22.8
71.01342	3.2
71.04980	10.5
72.47745	1.5
73.02902	42.6
74.94498	1.9
79.05477	73.9
81.03399	25.9
81.07043	100.0
82.81974	2.0
83.04972	9.4
83.08609	11.7
85.02894	70.8
85.06533	3.5
86.85664	2.2
87.04444	2.8
91.03941	34.7
91.05460	48.6
92.09235	2.7
93.07032	80.0
93.07637	2.9
95.04952	13.9
95.08585	67.6
97.02872	61.7
97.06493	3.0
99.04434	14.0
99.08061	2.3
100.65777	2.1
101.02380	14.8
103.03903	2.4
105.07009	45.6
107.04967	2.3
107.08584	40.3
109.02879	13.0
109.06512	8.1
109.10146	28.3
117.07024	13.3
117.10334	1.9
119.08574	30.3
121.06506	3.3
121.10115	22.6
123.11684	9.5
127.03899	19.8
129.05501	2.2
129.07031	1.8
131.04926	2.7
131.08539	24.8
131.22133	1.7
133.10095	20.3
135.07964	1.9
135.11652	17.2
137.09573	1.8
143.08557	3.6
145.04958	3.7
145.10109	21.4
147.11694	9.7
149.09554	2.9
149.13266	4.7
159.11664	10.7
161.13272	8.1
162.81535	2.0
163.14760	2.6
165.12787	2.7
173.13239	4.6
175.14783	2.4
199.14955	2.2
243.21062	3.9
261.22055	13.8
303.23251	2.6
335.25760	58.8
369.24542	2.9
497.31183	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.4
53.03913	1.3
54.81456	1.5
55.01868	6.7
55.05228	2.2
55.05502	60.0
55.05758	3.1
57.03428	10.5
57.07067	21.7
59.51144	1.4
61.02917	1.4
67.05146	2.3
67.05492	59.9
67.75343	1.3
69.03416	25.1
69.07052	88.8
71.04980	16.7
73.02882	2.2
76.56229	1.4
79.05473	15.8
81.03403	2.7
81.07038	100.0
83.04963	7.6
83.08602	17.0
85.02882	22.7
85.06526	99.1
91.05447	11.6
93.06135	1.7
93.07018	63.8
93.09815	1.7
95.04951	6.3
95.08585	73.1
97.02892	6.2
97.06513	17.8
97.10141	39.5
99.08056	8.8
105.07005	19.7
107.08584	50.8
109.02871	3.1
109.06474	3.4
109.09389	3.0
109.10142	90.8
111.08072	10.6
111.11703	7.6
113.09624	16.2
113.77078	1.5
119.08571	13.0
121.10125	28.8
123.11674	38.2
125.09610	43.1
125.13211	1.7
127.11163	9.0
129.05450	8.5
133.10114	12.9
135.11670	23.4
137.05930	2.4
137.09634	2.9
137.13261	9.3
139.11148	19.3
147.11731	11.8
149.13231	15.4
151.11238	3.2
153.12698	18.2
157.08528	2.2
157.12212	6.8
161.13208	2.3
163.14763	6.5
165.12714	1.7
169.12119	2.8
171.13765	60.5
175.11104	1.5
175.14812	6.0
177.61403	1.8
189.11102	1.6
189.16345	5.9
203.17943	2.1
227.12743	2.8
237.36218	1.5
245.22639	9.4
263.23636	17.1
281.24695	93.9
299.25763	21.8
301.16370	13.9
305.39798	1.9
317.26849	21.9
335.27780	16.4
480.60980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96734	2.2
59.38303	2.2
66.00822	3.5
74.14542	2.2
89.06004	13.6
102.53552	2.5
107.04710	4.7
216.14798	19.4
217.12032	3.4
217.15688	9.2
223.13072	10.1
226.39514	2.5
229.15570	3.7
238.60052	2.7
239.59511	2.6
245.15033	29.8
259.16641	100.0
260.17328	11.5
261.18222	57.7
277.17688	4.2
287.82541	2.9
427.31775	5.6
485.34460	3.1
497.35931	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
53.25980	0.5
55.05496	3.2
55.36257	0.5
56.96561	2.3
57.34915	0.6
59.31711	0.6
64.94754	0.5
67.05488	1.3
69.03403	0.8
69.07051	4.0
69.44183	0.6
71.04968	0.9
78.40710	0.5
79.05480	4.0
80.05828	0.7
81.07050	8.0
83.04965	1.3
84.96014	0.9
90.30671	0.5
91.05461	4.7
93.07030	8.5
94.07350	0.7
95.04949	2.4
95.08595	3.8
98.97574	0.8
105.07016	7.2
106.26964	0.6
107.08601	5.1
109.06486	1.3
109.10120	2.2
111.08094	1.0
116.98599	2.5
117.06980	1.1
119.08563	4.3
120.08865	0.8
121.06445	0.7
121.10102	3.1
123.08089	1.3
129.07028	0.9
131.08554	3.5
133.10104	3.2
134.99591	0.7
135.11650	2.2
137.09595	0.7
143.08476	1.0
145.10139	5.7
146.10475	1.0
147.07982	0.7
147.11662	2.4
149.09641	1.2
153.09132	0.7
157.10106	1.2
159.11624	1.1
160.12068	0.8
161.09595	0.9
163.11209	0.9
193.12282	0.6
198.66556	0.7
199.14795	0.9
199.16576	0.6
201.16441	1.3
202.16774	0.7
210.52054	0.6
219.17476	0.7
257.43839	0.6
259.16653	100.0
277.17807	1.2
300.19351	0.9
480.84140	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	495.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82348	1.7
59.63749	1.5
59.71551	1.5
67.95599	1.6
80.02402	3.1
92.09311	2.1
93.03110	2.8
93.07016	2.9
97.79687	1.8
105.07014	2.3
107.04768	1.6
119.08524	2.2
147.07829	10.2
180.75902	1.8
189.12486	20.9
203.10365	2.0
205.08430	2.9
215.14075	9.3
217.15735	3.3
228.14879	9.7
229.15645	2.6
232.17992	7.3
245.15062	25.1
247.16620	9.6
257.15063	13.0
259.12976	3.1
259.16577	24.2
260.13727	7.5
261.14609	2.6
264.17072	2.4
274.15332	2.4
275.16104	21.3
277.17703	25.2
307.60297	1.8
317.02515	1.8
425.30374	2.4
449.33813	14.3
477.33023	3.2
495.34372	100.0
496.35059	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.98680	0.6
56.05046	1.3
56.17040	0.7
57.07064	5.9
60.08154	26.0
67.05497	1.0
71.07352	9.5
71.08613	3.7
85.10183	1.0
86.09693	68.8
95.08569	1.3
98.98450	5.4
104.10725	100.0
124.99982	43.7
131.65309	0.8
133.29031	0.9
162.88594	0.8
179.81630	0.9
184.07307	98.3
202.75639	0.8
220.86932	0.9
263.79327	0.8
278.56787	0.8
313.27264	1.9
478.32788	10.9
496.33948	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	496.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63940	1.1
53.00288	1.7
53.03935	2.0
53.36057	1.1
54.82048	1.4
55.01863	3.0
55.05504	54.0
57.03423	8.9
57.07062	13.3
59.04986	3.5
67.05490	34.7
69.03414	18.0
69.07053	90.8
71.04967	6.9
71.08605	3.1
73.02906	1.8
75.05396	1.3
79.05470	7.0
81.03387	1.5
81.07037	74.4
83.08607	22.4
85.02886	12.4
85.06541	11.2
87.04427	2.6
91.05451	7.4
93.07027	30.3
95.04937	2.5
95.08586	69.9
96.08905	2.2
97.02862	7.8
97.06516	11.4
97.10151	33.0
98.10528	1.6
99.08061	3.6
105.06987	8.8
107.08578	23.8
109.06538	3.4
109.10142	92.5
111.08079	3.6
111.11707	10.0
113.09626	29.4
115.03867	1.7
119.08531	10.1
121.10129	13.6
123.08033	7.4
123.11686	21.3
125.09621	6.4
127.11153	22.0
133.04974	1.5
133.10091	10.3
135.11646	14.9
137.09595	16.3
137.13249	11.9
139.11124	15.5
147.11679	5.5
149.13246	11.4
151.11194	2.3
153.12738	10.2
157.12140	2.1
161.13187	5.8
163.14824	3.0
164.77983	1.5
167.14267	2.7
171.13818	2.0
175.14790	6.5
177.16400	1.8
189.16353	1.9
192.70555	1.8
245.22636	7.9
263.23679	19.5
280.23318	2.0
281.21579	3.3
281.24695	100.0
299.25739	37.6
329.83609	1.7
371.12436	2.7
414.43307	1.9
453.50977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.1
53.03927	1.1
54.81433	0.9
55.01869	2.1
55.05269	1.5
55.05510	27.6
57.03426	4.2
57.07074	10.1
59.05004	3.0
67.05500	20.0
69.03410	6.9
69.07057	100.0
70.18770	0.7
71.04967	4.3
71.08605	5.7
79.05461	8.3
81.07043	68.9
83.04957	1.2
83.08607	13.5
85.02884	7.6
85.06543	7.2
87.41123	1.0
91.05452	3.6
92.08879	4.6
93.07034	15.3
94.07343	0.9
95.04939	4.1
95.08591	35.7
97.02861	1.8
97.06506	4.9
97.10151	14.4
99.08078	4.8
105.07020	6.7
107.08601	14.2
109.06506	1.9
109.10149	47.5
110.10508	1.3
111.08055	2.1
111.11706	16.8
113.09635	9.3
119.08566	7.9
121.06537	1.5
121.10144	12.3
123.08065	1.7
123.10795	1.1
123.11694	32.6
125.09647	1.3
127.03909	0.9
127.11195	9.1
132.82164	0.9
133.10101	6.5
135.11647	5.7
137.05956	1.5
137.09587	4.1
137.13232	4.4
139.10164	1.4
139.11145	12.4
141.09042	1.2
141.12732	3.7
142.07750	1.5
145.10112	2.0
147.11676	3.4
149.13248	5.5
151.11191	2.1
151.14781	1.5
153.12749	4.8
157.12260	1.6
159.11661	3.8
161.13203	1.8
163.14796	1.8
165.12688	1.2
167.14322	1.3
171.13812	1.1
179.14308	1.8
187.11115	0.9
195.06505	2.0
205.19487	1.8
213.21376	1.0
245.22559	5.4
263.23651	9.8
281.24710	88.9
282.24969	1.3
299.25726	15.5
317.26889	10.6
460.31317	1.6
478.32300	3.8
496.34109	1.1
506.10208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81505	1.5
66.17436	1.5
70.96041	1.6
72.34642	1.8
92.63897	1.7
93.42176	1.6
107.08555	1.8
111.65776	1.8
119.08614	2.0
121.10126	2.4
133.89127	1.9
137.05743	3.0
139.07541	2.9
177.08812	16.9
215.14034	100.0
227.14001	25.1
229.15607	9.8
230.16341	2.0
233.15138	12.5
245.14977	12.9
247.16576	2.6
259.13025	7.3
259.16638	14.1
275.16263	12.7
277.17685	9.0
291.15753	3.8
341.24451	6.5
449.33783	66.2
477.39087	3.0
495.34485	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	495.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04567	1.7
55.05488	2.4
69.07061	2.3
71.67061	2.2
81.07059	8.4
93.07000	7.0
94.07362	3.6
95.08596	4.3
105.07024	2.7
107.08575	3.7
107.99412	1.9
114.36968	2.6
115.45583	1.9
119.08540	3.6
121.10134	18.1
122.10484	14.2
123.10775	3.1
125.27955	1.9
128.13675	2.3
139.07248	1.7
150.13512	3.0
171.84149	1.9
175.07294	70.0
177.08852	14.3
205.19475	3.3
205.77477	2.6
206.19875	3.8
215.14134	2.6
219.28738	2.0
259.16559	14.5
275.16116	27.2
277.17685	9.0
291.15656	4.0
449.33478	2.5
495.34375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66664	2.6
80.02371	3.2
81.07024	3.8
84.99464	2.7
92.59144	2.8
106.16167	2.5
107.08562	3.2
119.08513	3.0
121.10158	3.5
130.01393	2.5
135.07909	3.7
165.08862	13.8
177.08896	4.8
212.13158	3.2
215.14032	11.4
216.14674	4.2
217.12103	3.1
217.15657	3.9
243.13519	2.9
245.15025	18.3
257.15128	3.9
259.12909	3.2
259.16617	84.0
261.14581	80.7
273.14639	6.0
275.16138	18.7
276.16812	11.7
277.17691	83.2
291.15668	3.4
293.17233	9.4
495.34402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69501	0.3
53.03922	0.3
55.05499	1.3
57.03431	0.4
57.07068	0.7
59.04962	0.3
60.04502	0.4
67.05486	5.3
68.74978	0.3
68.75342	0.3
69.03410	1.5
69.07052	2.4
71.04973	0.5
79.05464	1.7
81.07039	7.7
83.04958	0.7
83.08622	0.5
85.02882	1.1
85.06552	0.5
91.05447	1.1
92.09435	0.6
93.07035	3.5
95.04981	0.5
95.08585	11.0
97.02879	0.3
97.10146	0.6
101.06001	0.6
101.26113	0.3
105.07030	2.8
107.08585	2.2
108.05740	0.7
109.10153	4.5
110.40417	0.3
111.04428	0.4
116.98598	0.4
117.06992	0.4
119.08569	1.2
121.06445	0.3
121.10106	1.8
123.08048	12.7
123.11682	2.5
125.09591	0.5
131.08530	0.4
133.10106	1.2
135.08040	2.1
135.11627	0.6
137.05974	1.7
137.09592	0.4
137.13162	0.5
138.06276	0.4
139.11171	0.3
143.08563	0.4
145.10078	0.6
147.11679	0.7
149.09607	0.6
149.13303	1.0
151.07523	100.0
152.07855	1.4
152.77290	0.3
159.08093	0.5
159.11569	0.4
161.09596	0.7
163.11183	1.5
165.09047	1.2
167.07066	0.4
173.09605	1.1
175.07448	0.4
175.11148	1.7
176.08266	0.5
177.09047	4.7
189.09042	0.7
189.12703	1.4
190.09850	0.4
191.10629	15.8
203.10652	1.9
204.11015	0.5
205.12193	5.8
217.12273	0.4
231.13800	0.5
279.23151	1.1
287.20081	0.6
297.24100	0.7
317.20914	0.6
321.24283	0.4
395.29453	1.1
413.30286	2.3
431.30963	0.3
441.29877	1.3
459.30789	1.7
479.01447	0.3
495.28931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01875	0.3
55.05499	2.5
57.03424	0.5
57.07061	0.4
59.84904	0.2
63.32161	0.2
67.05492	5.6
69.03398	1.2
69.07048	2.3
71.04975	0.3
73.02885	0.4
79.05467	2.1
81.07039	6.9
83.01328	0.3
83.04948	1.1
83.08589	0.6
85.02874	0.3
85.06519	0.5
85.24309	0.2
91.05452	1.1
93.07028	3.9
95.04944	0.5
95.08583	13.0
97.06496	0.4
97.10143	1.0
99.08031	0.4
101.05987	1.5
105.07008	3.0
107.08553	2.5
108.05666	0.4
109.06499	0.5
109.10151	5.3
111.04411	1.3
111.08035	0.5
113.09626	0.3
114.37762	0.2
117.06927	0.2
119.08534	1.0
121.06487	0.5
121.10130	2.4
123.08041	12.8
123.11664	3.6
125.09615	0.5
127.11198	0.3
129.05397	0.3
129.09056	0.3
131.08566	0.3
133.06459	0.3
133.10098	1.2
135.08008	2.3
135.11659	1.2
137.05968	1.1
137.09584	0.5
137.13208	0.9
139.11203	0.3
143.08533	0.3
145.10126	1.2
147.11684	1.0
149.09633	0.5
149.13222	1.6
151.07520	100.0
152.07840	1.4
155.10632	0.3
159.08066	0.4
159.11667	0.4
161.09576	1.1
161.13190	0.4
163.07472	0.4
163.11148	1.4
163.14764	0.5
165.09076	1.4
171.08167	0.2
172.08556	0.3
173.09651	0.5
175.07478	0.4
175.11090	1.7
176.08183	1.4
177.09070	5.1
178.09373	0.2
187.11241	0.4
188.08307	0.3
189.09010	0.3
189.12726	1.1
190.09819	0.3
191.10628	15.9
199.11258	0.3
203.10629	2.3
204.10963	0.9
205.12215	6.5
213.12663	0.3
219.13795	0.3
231.13768	0.4
231.91402	0.3
256.65335	0.3
259.16748	0.3
261.22064	0.3
279.23035	1.6
287.19989	0.9
288.46329	0.2
297.24164	1.2
303.19467	0.3
312.17056	0.2
317.20972	0.9
321.24374	0.5
339.25134	0.4
352.38278	0.3
385.41019	0.3
395.29330	0.5
400.32938	0.2
413.30444	1.8
431.31335	0.4
441.29932	0.5
459.31143	1.8
477.32025	0.3
495.29471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87288	0.3
64.33542	0.3
79.52304	0.3
83.76914	0.3
128.04733	0.3
131.11029	0.3
145.55305	0.3
168.31125	0.3
168.40947	0.3
259.16635	100.0
260.16858	0.8
277.17651	2.3
346.47739	0.3
380.61441	0.3
400.85126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24119	1.1
66.46826	1.2
67.94424	1.1
68.42395	1.2
69.65099	1.1
69.87646	1.2
71.16499	1.5
81.07051	1.6
81.66740	1.2
82.32564	1.1
95.08582	2.0
100.05341	1.4
105.07027	2.8
107.08584	2.2
112.77446	1.4
119.08549	2.3
177.08786	4.9
205.11996	5.9
215.10271	3.9
217.11995	2.7
257.15125	2.5
259.16650	17.0
261.14554	43.9
275.16150	8.3
276.16772	1.9
277.17682	47.4
293.17331	2.7
325.72519	1.6
477.33112	2.2
495.34351	100.0
496.34192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12452	0.7
50.33088	0.5
53.97717	0.6
54.46120	0.6
54.81525	0.8
55.05501	4.6
56.04600	0.7
57.03215	0.6
57.03433	9.8
59.04980	0.8
60.48434	0.6
61.02924	1.1
61.11147	0.6
67.05494	7.8
69.03407	3.8
69.07027	0.8
71.04980	82.4
73.02900	3.5
75.04472	5.2
79.05462	1.0
81.03421	1.4
81.07037	8.8
83.04961	10.4
83.08601	0.7
85.02895	100.0
87.04472	1.0
91.05482	1.1
93.07021	1.3
95.04941	5.8
95.08596	3.3
97.02869	4.7
99.04426	1.2
105.07017	2.9
107.08599	8.3
109.02798	0.9
109.06512	11.9
109.10148	73.4
111.04430	5.1
121.10143	0.9
123.08015	2.8
123.11691	15.1
127.03922	3.9
129.05476	27.3
133.10115	3.8
135.08047	0.8
137.05978	1.0
146.08153	1.1
147.06529	10.6
149.90874	0.8
151.07506	2.9
151.11177	16.6
164.09186	2.9
165.09081	0.8
169.12140	6.6
173.13225	0.8
255.08617	1.7
261.14850	1.3
273.09631	3.0
279.15884	1.6
287.05710	0.9
297.16992	7.3
300.22675	0.8
301.19901	0.9
309.11713	4.6
498.46164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.31114	1.3
55.01858	2.2
55.05504	15.1
57.07061	6.5
59.04979	1.4
67.05493	18.5
69.03403	7.8
69.07052	28.0
71.04973	12.3
74.09704	4.0
79.05473	26.0
81.07042	56.9
83.04948	6.8
83.08598	11.3
85.06525	5.9
91.05459	39.0
92.08713	2.2
93.07019	97.9
95.04958	12.4
95.08584	44.4
97.02872	2.2
97.06495	13.2
99.04424	2.1
105.06364	2.8
105.07011	58.8
107.08571	81.5
109.06503	10.5
109.10136	25.0
111.08047	10.8
117.06981	11.5
119.08566	57.4
121.06480	19.6
121.10113	49.6
123.08022	7.8
123.11720	13.8
125.05980	3.0
125.09594	2.3
129.06947	2.4
130.07768	3.9
131.08571	23.2
133.09177	3.3
133.10104	53.6
135.08049	20.1
135.11658	52.4
137.09583	6.9
137.13193	3.7
139.07518	68.0
141.09145	1.6
143.08560	2.0
145.10106	61.3
147.11670	15.5
149.09579	13.2
149.13240	18.5
151.11148	7.2
153.09105	11.9
153.12680	2.4
157.10091	8.5
159.11655	47.4
161.09589	2.5
161.13239	15.7
162.33926	1.8
163.11154	37.9
165.12715	2.8
167.14322	2.6
171.11664	2.6
173.13213	8.8
175.13338	3.4
175.14772	49.1
175.16170	3.0
177.12666	19.2
177.16339	8.3
178.95114	1.7
181.12180	12.9
189.16275	3.4
191.10651	3.3
191.14238	3.2
191.17883	12.4
195.13750	30.9
197.00774	1.6
201.16357	48.1
203.17917	6.8
205.12184	15.6
207.13795	2.7
209.15416	1.8
217.15720	2.1
219.17403	100.0
223.13255	53.9
223.16812	3.5
225.18428	2.4
237.18452	30.5
241.14262	6.7
249.14743	8.8
253.18005	1.7
348.77783	1.7
409.85184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75001	1.2
55.05503	1.7
57.03426	3.5
59.04970	1.3
61.02924	2.0
62.78612	1.6
63.19713	1.3
64.33306	1.7
64.93419	1.6
67.05492	1.2
68.04888	1.5
69.03416	8.9
71.04979	19.5
72.94636	1.6
73.02887	1.6
83.04975	3.4
84.04499	6.2
85.02895	39.6
87.04459	1.7
91.05439	1.5
93.07033	3.2
95.04951	6.2
96.04478	2.7
97.02877	7.7
98.06022	1.5
98.97562	5.6
105.06995	12.8
107.04953	3.8
107.08657	2.2
109.02908	3.2
111.04437	2.1
115.05484	1.4
116.07097	2.6
116.98597	3.0
117.06993	8.8
119.01736	2.0
119.08554	9.7
121.06493	1.7
123.04396	14.5
126.05493	5.9
127.03875	2.9
129.05481	7.3
129.06946	3.1
131.08563	9.4
132.08121	1.7
133.06462	3.7
133.10088	3.6
137.05943	2.3
138.05492	17.4
142.07753	7.7
143.08545	11.6
144.06531	2.2
144.09302	2.4
145.06512	3.3
145.10109	21.8
147.06451	1.7
147.08012	11.6
147.11676	2.2
148.06082	8.1
151.03851	1.8
153.51865	1.6
155.08507	2.0
156.09377	2.5
157.10112	24.0
159.08057	8.9
159.11676	22.5
160.07555	45.4
160.08763	3.4
161.05939	2.3
161.08011	6.1
161.09584	13.9
162.05435	2.3
163.07474	3.4
167.06989	2.2
168.06511	2.2
169.05081	2.0
169.10077	17.3
171.07999	7.2
171.11703	6.4
172.08900	4.7
173.09555	26.9
175.07533	2.9
175.11153	29.7
177.05429	1.6
185.09581	59.8
185.11208	2.1
186.10403	5.8
187.07515	2.2
187.11143	33.6
189.09074	26.8
191.10670	10.1
197.09543	16.4
199.11119	1.9
201.09064	11.6
203.10611	33.1
205.12283	3.7
213.09090	36.2
215.10632	23.1
219.10071	13.3
221.08154	2.3
225.09084	1.8
231.10123	75.4
233.11676	14.9
242.09023	3.5
243.10132	8.4
249.11263	16.1
251.12839	3.0
261.11160	22.4
264.76782	1.7
279.12225	41.9
291.12177	2.0
297.13248	51.1
298.55713	1.8
315.14337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68921	0.3
55.01859	0.8
55.05498	3.0
57.03429	15.2
57.07067	0.5
59.04980	0.4
60.04520	0.9
61.02912	2.9
67.05482	2.1
69.03421	7.5
69.07057	1.0
69.85278	0.4
72.04492	0.8
73.02905	23.8
79.05463	2.1
81.07047	5.2
82.64750	0.4
83.04956	0.6
83.08618	0.6
85.02897	4.2
91.05470	3.1
93.07038	4.0
94.04169	1.0
95.04942	0.7
95.08593	3.9
96.04487	0.9
97.02875	5.9
97.10148	1.7
100.11250	0.5
102.61913	0.4
103.05454	7.4
105.07013	5.6
107.04926	0.9
107.08587	1.8
109.06493	1.0
109.10133	2.5
109.44434	0.4
111.08124	0.5
115.03918	4.6
115.05370	0.5
117.06993	1.9
119.08550	0.9
121.06471	2.7
121.10125	2.5
122.03618	4.4
123.08007	1.0
123.11680	2.4
125.09618	0.8
128.06230	0.5
129.06973	0.7
131.04906	10.9
131.08537	0.6
132.06538	3.5
133.04933	0.8
133.06473	18.6
135.08035	7.7
135.11658	0.9
137.05962	100.0
138.06348	0.7
139.11153	1.5
143.08472	0.5
145.06432	3.1
147.08067	0.7
149.05930	0.9
150.07608	6.6
151.07541	12.5
157.06462	1.1
161.05989	0.7
163.07520	27.6
165.09096	0.5
171.08032	1.0
174.06584	0.4
175.07532	2.2
177.09052	2.4
189.09105	2.8
203.10628	2.3
235.11203	0.7
263.10590	1.7
279.23108	3.6
295.13263	8.3
297.24133	4.4
327.15857	24.1
345.16937	5.0
362.19110	0.5
441.18417	0.5
467.10278	0.5
472.26700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11520	0.6
53.03944	0.8
55.01840	0.7
55.05500	1.6
56.96564	0.6
57.03426	11.1
58.64434	0.8
59.04979	0.6
61.02908	4.8
62.14835	0.6
64.64977	0.7
67.05521	0.7
69.03403	4.7
71.04977	80.4
73.02897	4.1
75.04479	5.5
81.03408	1.4
83.04965	12.3
85.02890	100.0
87.04445	1.6
95.04951	1.3
97.02879	6.1
98.97561	0.8
99.04436	1.0
101.48220	0.7
103.03923	1.2
107.04936	4.3
108.71000	0.8
109.02883	1.3
111.04417	5.6
116.98575	1.0
120.08076	14.5
121.08431	0.9
123.04406	43.6
127.03902	4.3
129.05472	22.8
131.04851	1.1
139.03917	0.8
145.04922	4.5
145.10135	1.1
147.04410	1.4
147.06505	12.1
151.03914	8.1
157.10167	0.9
159.11612	1.1
161.06001	1.1
164.09146	1.4
165.05455	1.2
166.08647	3.7
169.04913	12.9
173.05989	1.4
175.04068	0.9
175.11226	1.2
178.32199	0.7
179.58678	1.0
187.11151	1.1
188.03755	2.7
189.05479	1.4
191.03346	1.0
193.05034	1.3
199.10835	1.2
205.12204	0.9
215.07027	1.1
219.01402	0.8
233.07932	1.1
233.11723	0.9
235.06003	1.6
237.02823	0.8
255.08427	1.4
261.07535	4.4
261.10962	1.0
279.08524	1.5
279.12122	2.3
297.09579	3.1
297.13123	1.6
309.11591	1.1
315.14374	1.3
324.29385	0.8
329.33081	0.8
391.55487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01860	9.2
56.96544	2.0
57.03432	35.2
59.04993	3.7
61.02910	13.4
69.03417	84.8
73.02898	61.7
73.54994	1.6
75.04454	2.8
81.03389	9.1
85.02893	78.9
87.04453	34.3
91.03949	2.4
91.05458	2.5
93.07032	2.0
95.04929	1.9
97.02872	57.3
99.04411	2.6
99.33360	1.5
104.57004	1.6
105.07015	31.0
107.08556	3.2
109.02888	3.7
114.05551	1.8
115.03907	44.9
115.05200	1.6
117.06974	2.5
118.61948	1.8
119.08566	9.6
123.04367	6.9
127.03926	12.7
128.06184	1.8
129.06972	3.5
131.08545	3.2
133.04948	26.2
133.06473	39.6
133.10120	7.1
135.08026	2.4
135.11688	2.0
137.05965	100.0
137.09709	1.9
139.03876	7.7
142.07791	3.8
143.08517	6.2
145.04924	11.0
145.06444	11.2
145.10098	21.6
146.10431	2.8
147.08040	2.0
149.09569	3.4
151.03885	55.7
151.07524	12.5
155.08490	1.9
156.09351	2.3
157.06483	2.5
157.10068	11.1
159.08054	2.7
159.11667	1.6
161.05902	2.7
161.09621	8.4
163.03897	2.1
163.06029	3.0
163.07445	3.8
165.09105	24.4
169.10110	3.8
171.08014	7.9
173.09573	15.3
175.07526	7.6
175.11145	27.5
176.67554	1.6
177.09058	3.5
179.08302	1.7
179.10696	1.8
183.06587	14.0
183.08020	3.5
183.10123	35.5
185.09572	3.2
187.07520	2.8
189.09138	12.1
191.06966	3.8
191.10678	2.9
197.01146	2.0
197.09808	1.9
199.07425	1.9
201.09059	7.9
203.07028	2.1
203.10625	3.9
205.08548	3.3
205.12369	1.8
207.10152	3.9
209.91061	2.1
213.09184	3.7
215.10675	8.0
217.08592	3.8
219.10106	3.6
221.11705	7.4
225.11209	4.0
231.10138	3.7
232.10645	2.6
233.11723	2.5
234.99016	6.6
237.00629	2.9
237.11101	2.2
245.04538	2.6
247.06177	2.2
249.11095	15.0
252.99959	1.7
259.09595	7.4
261.11041	8.2
277.10757	23.9
279.12253	20.8
284.34586	1.6
295.11713	7.5
296.11951	7.2
297.12747	2.4
313.12735	28.0
331.13681	14.8
343.21115	1.8
363.83914	1.9
395.27170	1.7
490.33597	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61395	0.8
52.30525	1.0
54.23793	1.1
55.05508	2.5
57.07061	2.2
62.01293	1.0
64.33147	1.4
67.05485	6.8
69.07057	11.9
79.05451	5.1
79.15930	1.1
81.07040	38.1
82.07382	2.5
83.08608	2.0
84.04298	1.1
85.06521	4.4
91.05457	2.6
93.07030	22.5
94.07388	2.1
95.08581	22.3
96.08919	2.2
97.10123	1.3
97.34787	1.0
105.07005	11.4
106.07368	1.4
107.08577	19.8
109.10139	14.9
110.10483	2.3
111.11737	1.0
119.08575	7.7
121.10126	72.0
122.10461	16.4
123.11687	18.6
124.11983	5.5
133.10120	4.6
135.11676	12.5
147.11658	9.4
148.12009	1.3
149.13266	21.5
150.13571	6.7
161.13248	2.2
163.14749	1.2
190.64844	1.2
197.09358	24.4
203.17973	6.8
204.18138	1.8
205.19482	45.4
206.19853	17.9
215.10690	2.5
215.14046	100.0
221.18944	11.2
222.19186	4.8
225.12520	5.1
229.15588	2.3
230.16371	4.7
233.15120	6.8
256.16617	1.4
259.16571	8.9
275.16019	2.0
277.17636	7.2
309.78375	1.0
336.32526	1.2
447.32159	8.3
493.32285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
56.97284	2.6
64.33747	2.7
67.05489	5.9
69.07041	13.5
81.07037	26.5
91.05491	4.4
91.33796	2.9
93.07005	17.6
95.08595	32.4
96.08930	4.5
105.07021	14.3
106.46961	2.9
107.04759	3.4
107.08576	10.6
109.10166	12.2
115.51737	2.8
119.08548	15.9
121.10124	57.9
122.10466	16.7
123.11667	6.5
133.10094	10.8
135.11668	6.4
147.11711	4.4
149.13237	14.2
161.13278	3.3
192.11230	3.1
197.09348	40.3
200.23579	2.8
201.16356	3.8
203.17924	23.6
204.18248	11.3
205.19458	29.5
206.19797	13.0
215.10614	3.6
215.14024	100.0
219.17340	4.4
221.18941	12.4
222.19171	3.5
230.16286	4.7
233.14969	6.6
245.15038	4.6
259.16519	4.1
261.14594	34.8
267.18408	3.7
275.16098	6.3
276.16983	5.0
277.17728	4.0
297.15811	2.9
300.40186	3.2
493.32346	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	494.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03732	0.5
53.03943	6.4
55.01872	7.2
55.05504	2.2
56.96535	0.6
57.03436	4.4
58.47009	0.5
59.99430	0.5
61.02915	5.4
64.18782	0.4
65.03919	0.6
67.05489	2.6
68.08519	0.5
68.99780	1.4
69.03072	0.9
69.03421	19.5
69.07054	1.1
71.05001	4.1
73.02901	7.0
79.05482	2.4
81.03406	20.6
81.07038	5.3
83.01340	1.2
83.04948	0.6
85.02895	41.0
87.00816	23.7
87.01352	0.7
87.04429	1.1
89.29548	0.5
91.03921	2.3
91.05463	100.0
93.07024	3.0
95.04984	0.8
95.08576	3.6
97.02876	44.4
98.21873	0.6
99.04447	9.4
101.02330	0.6
105.01859	12.1
105.06994	2.5
107.04934	9.8
107.08561	2.7
109.02866	13.6
109.10138	3.1
115.12894	0.6
117.01853	4.3
119.08553	1.2
123.11687	1.1
125.09616	0.7
126.99689	0.5
127.03893	28.8
129.01817	2.7
131.04951	0.6
131.08568	0.6
137.09592	2.4
145.04947	13.8
149.13228	0.8
151.07484	0.9
159.02866	9.4
165.09097	12.9
166.09473	2.3
180.10173	1.2
185.17502	0.5
229.08495	1.0
231.04985	3.9
279.23380	0.7
379.36407	0.7
476.36795	0.6
493.27713	0.7
494.38181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	2.6
53.03945	2.5
55.05505	21.7
57.07055	3.9
62.68359	2.3
64.13554	2.0
67.05502	26.6
69.07047	28.2
71.04973	21.9
79.05470	15.0
80.05829	3.6
80.91430	2.5
81.07040	100.0
82.07379	12.5
83.08613	12.0
83.55480	3.2
85.06554	2.7
89.43465	2.4
89.44039	2.6
91.05457	26.2
92.05767	3.6
93.07030	67.8
94.07364	10.4
95.04910	3.0
95.08582	82.2
96.08916	11.5
97.06512	4.6
97.10148	2.6
105.07008	59.8
106.07357	14.0
107.08588	59.3
108.08918	5.6
109.06509	4.4
109.10147	37.3
110.10500	4.7
111.08049	5.9
119.08558	59.3
120.08904	16.1
121.10126	48.6
122.10467	12.7
123.08048	3.5
123.11688	56.1
124.12025	14.7
131.08545	5.2
133.10088	25.2
134.10417	10.5
135.11699	32.5
136.12013	4.0
137.13255	6.0
138.26141	2.3
141.10257	2.3
145.10101	14.5
147.11656	38.2
148.11995	12.9
149.13219	49.5
149.14113	2.5
150.13564	16.2
152.41248	2.5
159.11665	10.0
161.13242	16.3
162.13554	4.7
173.13403	2.6
175.07330	3.1
175.14774	3.7
179.08371	2.7
201.16319	9.8
203.17897	52.1
204.18291	14.5
205.19514	40.4
206.19824	20.6
215.14035	61.9
219.17415	16.6
220.17781	4.1
221.18982	65.3
222.19305	31.1
223.16997	2.7
225.12399	35.6
229.15700	3.2
230.80298	2.5
233.15094	3.7
243.13484	2.7
245.15073	5.9
247.16667	27.5
259.16745	11.0
275.16144	21.3
277.17804	4.5
447.32275	63.8
493.32660	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	493.222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19806	0.4
55.05495	2.2
62.55563	0.4
65.03944	0.6
67.05492	3.6
69.07046	2.6
79.05480	4.2
81.03376	0.7
81.07043	7.5
83.04945	0.5
83.08617	0.7
85.02879	2.1
90.86607	0.4
91.05455	10.6
93.07018	4.2
94.04157	4.4
94.78267	0.4
95.04960	2.5
95.08577	4.9
97.02885	0.5
103.05443	5.5
105.07018	5.2
107.04936	1.8
107.08588	3.4
109.06503	1.0
109.10122	2.4
115.05442	0.5
117.06985	1.0
119.04919	5.2
119.08557	2.0
121.02826	0.5
121.06493	2.8
121.10127	1.1
122.03635	10.3
123.04358	0.5
123.08044	0.8
123.11644	2.5
129.06990	1.9
131.04915	8.5
131.08507	1.8
133.06487	3.0
133.10124	2.4
135.04343	0.7
135.08037	3.0
135.11618	0.7
136.05179	0.8
137.05957	100.0
141.06949	0.6
143.08510	0.6
145.06474	2.0
145.10092	0.6
147.11673	0.8
147.39610	0.5
149.05957	3.0
149.13286	1.0
151.07521	17.3
157.06381	1.7
159.07961	0.7
161.05957	3.9
161.09570	0.5
163.07532	10.0
165.06976	3.2
165.09074	1.8
166.07748	0.5
167.07185	0.7
167.08528	5.4
171.08067	0.8
174.06770	0.9
175.07481	3.2
177.09085	1.2
181.06467	1.0
187.07561	0.7
189.09085	3.8
193.06416	2.4
193.08356	0.8
194.07317	0.7
195.08038	7.4
197.05960	0.6
203.10710	0.6
209.09619	0.6
210.06747	2.5
211.07516	0.6
212.08234	0.9
217.19130	0.5
219.08063	1.0
221.05931	2.6
222.96779	0.5
223.07500	2.2
224.08333	0.9
225.09070	2.7
227.06847	0.5
227.10603	5.9
235.07492	1.0
237.09052	0.5
238.06224	0.8
239.10783	0.7
245.09607	0.5
251.10555	2.2
252.07823	0.5
253.08629	2.9
255.10097	3.5
267.10059	1.8
285.11096	3.3
287.12759	10.7
305.11655	0.5
313.14294	1.2
340.13193	0.7
351.15878	3.2
415.19000	2.3
443.18567	2.0
475.20920	0.5
493.19781	1.8
493.27371	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65305	0.4
51.94014	0.4
53.03937	0.7
55.05513	1.1
56.47736	0.4
57.03429	12.2
59.04979	0.9
61.02900	0.5
67.05473	0.6
68.47002	0.5
69.03415	3.1
71.04977	84.4
73.02895	2.1
75.04457	4.1
83.04987	7.1
84.50533	0.6
85.02892	100.0
87.04471	2.8
91.05509	0.6
94.72926	0.5
97.02888	3.6
99.04449	2.1
109.02951	0.7
111.04455	4.5
111.05074	0.5
127.03912	2.8
129.05453	29.3
145.04929	1.2
147.06503	14.1
147.67738	0.6
164.09149	6.4
165.09290	0.5
180.08659	0.6
225.07494	0.8
255.08714	0.7
291.34781	0.6
347.14597	0.7
491.25531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13655	0.3
55.01870	0.4
57.03424	1.3
60.23236	0.3
67.05503	1.2
68.54562	0.3
69.03408	0.4
69.81276	0.3
71.04980	0.8
71.21947	0.3
72.86636	0.3
79.05458	2.0
81.07025	1.6
85.02890	0.7
85.06564	0.4
91.05468	4.4
93.07020	1.8
93.80582	0.3
94.04148	0.7
94.93740	0.3
95.04955	0.6
95.08583	1.8
103.05454	10.3
105.06992	1.8
106.36320	0.3
107.04946	0.4
107.08569	1.4
108.05742	0.3
109.06506	0.6
109.10142	0.6
109.92239	0.3
115.05421	1.4
116.06226	0.3
117.07005	5.2
119.04939	2.1
119.08558	0.4
121.06511	2.5
121.10096	0.5
122.03611	4.0
123.08059	1.4
128.06172	0.5
131.04907	19.8
131.08537	1.4
133.06467	0.7
133.10098	1.5
134.07205	0.4
134.28349	0.3
135.08057	1.7
137.05957	37.1
143.08553	1.9
145.06471	1.3
147.08029	0.7
149.06018	0.6
149.09601	0.7
151.03951	0.4
151.07518	13.1
151.08655	0.7
157.06343	0.4
159.11632	0.3
161.05940	2.2
162.06763	3.8
163.07516	26.5
165.08946	0.3
167.08543	0.6
171.08005	0.7
173.29192	0.4
174.06728	0.5
175.07535	3.2
177.09077	100.0
178.09319	0.4
189.09084	0.7
193.10143	0.4
195.08005	1.6
195.10138	2.9
203.10655	0.5
210.06718	0.3
212.08273	0.3
221.05919	0.4
221.09648	0.8
221.11676	6.2
223.07396	0.6
224.08218	0.5
225.05278	0.3
225.09109	0.6
227.10626	1.7
229.12350	0.3
249.08839	0.4
253.08551	0.6
255.10068	1.5
266.08957	0.4
267.09897	0.6
285.11203	1.2
287.12683	1.8
299.12750	0.4
311.12717	1.4
313.14127	0.6
327.12112	0.8
328.12607	1.4
331.15250	3.2
342.14417	1.9
343.14908	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	492.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00344	0.5
55.05512	5.9
57.07061	3.5
59.05008	0.6
66.60090	0.6
67.05493	8.6
69.07058	13.2
71.04972	2.6
71.08605	0.7
71.27542	0.5
72.97114	0.6
73.76533	0.6
75.51477	0.6
77.81124	0.6
79.05476	7.0
80.04350	0.5
81.07037	46.0
83.08584	3.2
85.06532	4.2
91.04971	0.6
91.05453	5.3
93.07025	28.2
95.04942	0.7
95.08582	34.1
97.10145	3.4
105.07011	12.1
107.08582	22.9
109.10144	26.5
109.10854	1.2
111.08040	0.8
111.11720	1.1
119.08561	11.9
121.10119	100.0
122.10500	0.7
122.17513	0.6
123.08061	1.4
123.11689	25.7
133.10109	7.4
135.11671	15.4
137.09622	1.1
137.13235	3.2
145.10088	0.9
147.11687	9.8
149.13237	33.4
151.11197	1.0
159.11699	0.7
161.13249	4.1
163.14822	3.9
177.16328	0.9
203.17914	10.2
205.19487	81.5
215.14026	0.8
221.18967	21.9
313.32629	0.6
514.95367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.97998	1.2
55.01863	2.4
55.05502	15.1
57.07067	5.9
61.02911	1.8
67.05495	24.7
67.18948	1.3
69.03409	2.1
69.07057	25.4
70.44152	1.4
71.04980	13.1
79.05479	19.1
81.07042	61.6
83.04971	6.6
83.08604	8.4
85.06538	14.4
91.05463	37.8
92.08688	2.5
93.07027	100.0
95.04959	12.7
95.08588	51.4
95.09196	1.7
97.06512	7.1
99.04430	1.5
101.05982	2.0
105.07021	75.6
106.07353	1.5
107.04967	1.6
107.08579	63.6
107.09301	2.6
109.06516	8.6
109.10141	61.0
111.08085	19.0
113.09637	2.5
117.07020	8.3
119.08569	76.7
120.08883	2.5
121.06477	3.3
121.10126	45.4
122.10487	1.5
123.08062	6.1
123.11682	10.8
125.09605	11.0
127.11156	11.5
129.07025	2.2
130.07751	2.9
131.08539	19.0
133.10098	38.2
133.11028	1.9
135.08051	8.8
135.11664	23.7
137.06038	1.5
137.09601	7.2
137.13231	1.7
139.07559	5.8
139.11156	2.2
143.08525	3.3
145.10121	51.3
147.11658	29.2
149.09660	1.6
149.13240	6.8
151.11150	2.0
153.09125	1.5
157.10094	5.8
159.11693	42.6
161.09572	6.1
161.11906	2.6
161.13232	72.2
162.13676	1.8
163.11156	8.8
163.14751	1.6
172.12234	1.5
173.13261	10.5
174.29311	1.5
175.11070	1.6
175.14767	12.9
177.12775	2.3
177.16379	7.5
179.14276	6.5
189.16475	1.9
191.14204	1.4
191.17909	3.0
193.15898	1.9
194.34351	1.7
201.16376	41.2
203.14334	2.7
203.17909	18.6
205.15823	1.7
209.15364	1.6
217.15700	1.6
219.17392	39.9
221.15398	20.6
221.19122	2.7
223.16925	2.9
235.16948	2.4
237.18515	15.3
467.10922	1.9
493.32993	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	492.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67376	0.4
55.05508	5.2
57.03406	0.5
57.07062	2.1
61.81545	0.6
66.59277	0.5
67.05508	4.6
69.07063	9.9
70.66014	0.5
71.04972	1.3
79.05475	6.8
81.07041	33.2
83.08617	3.7
85.06532	2.9
91.05459	5.2
93.07030	27.5
93.07502	0.5
93.07631	0.6
95.04956	0.7
95.08590	22.7
97.10133	1.0
105.07018	9.7
107.08586	17.8
109.06503	1.0
109.10144	18.6
111.08083	0.7
111.11723	1.1
119.08573	9.1
120.08817	0.7
121.10126	100.0
123.08049	1.1
123.11693	10.3
127.24037	0.5
130.67529	0.6
133.10107	5.3
135.11668	10.2
137.09579	2.1
137.13272	0.9
145.10062	0.7
147.11676	7.1
149.13237	24.8
151.11113	0.7
159.11676	0.6
161.13232	2.2
163.14809	3.8
165.12735	0.7
175.14766	0.8
177.16331	0.8
184.15459	0.5
203.17906	7.0
205.19490	59.4
215.13966	1.0
221.18982	20.2
287.20261	0.6
404.13937	0.6
447.32452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35845	0.3
55.05316	0.3
55.05510	5.6
57.03431	1.0
57.07061	1.7
62.71764	0.4
67.05487	4.9
69.07055	9.6
71.04969	3.4
79.05468	5.5
81.07039	30.8
83.08601	2.8
85.06548	2.9
89.20530	0.4
91.05467	3.8
93.07027	28.1
95.04953	0.9
95.08585	18.5
97.06502	0.4
97.10156	1.5
105.07008	7.4
107.08581	16.3
109.06502	0.7
109.10139	11.7
111.11724	0.7
117.26898	0.4
119.08556	6.8
121.10126	100.0
123.08051	1.0
123.11693	7.4
131.08565	0.5
133.10109	5.3
135.11670	9.2
137.09596	2.6
137.13240	2.0
147.11678	6.2
149.13242	18.1
151.11214	0.6
161.13281	3.4
163.14790	3.7
165.12732	1.0
175.14835	0.5
177.16354	0.8
203.17934	4.5
205.19492	44.5
221.16972	0.7
221.18996	16.1
284.39539	0.4
306.15628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05505	12.4
57.07051	6.7
58.22745	0.9
62.62596	1.0
62.90321	0.9
64.71871	0.9
67.05503	12.8
69.03404	2.4
69.06712	1.7
69.07061	32.1
69.19016	1.2
71.04980	2.6
79.05482	14.6
80.63174	1.1
81.06596	2.2
81.07045	46.6
83.04956	1.1
83.08610	9.5
91.05466	21.1
92.08641	1.3
92.64027	1.1
93.07031	42.8
95.04938	2.2
95.08587	46.8
97.06501	4.3
97.10152	2.0
101.06007	1.7
103.55731	1.1
105.07022	87.2
106.62785	1.3
107.08580	48.4
109.06490	6.2
109.10150	39.5
114.09526	1.1
114.35339	1.3
117.07005	7.5
119.08568	100.0
120.08891	1.3
121.06486	5.0
121.10131	37.0
123.08057	2.2
123.11687	19.7
129.06966	1.3
130.07768	2.0
131.08546	13.3
133.10104	45.1
135.08037	7.0
135.11700	22.3
137.09627	6.0
137.13188	2.1
138.99121	1.3
140.12848	1.1
144.09268	1.8
145.10123	25.6
147.10602	2.2
147.11676	46.1
149.09608	6.8
149.13260	8.5
159.11664	20.9
161.09607	2.7
161.13225	22.0
163.11125	12.5
163.14793	2.4
165.12704	1.5
173.13231	4.4
175.14780	14.3
176.12007	1.2
177.12694	7.0
177.16383	4.4
191.17899	8.5
201.16394	7.9
203.17932	86.2
205.19456	4.8
219.17403	21.0
221.18982	13.3
237.18413	14.2
267.42389	1.3
314.99051	1.3
360.42020	1.4
415.00629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.3
55.67850	0.6
57.03441	0.8
57.07071	0.9
59.04979	0.7
60.29107	0.5
64.39459	0.6
65.86710	0.6
67.05490	5.6
69.07052	9.9
71.04977	3.2
79.05479	6.8
81.07037	39.2
83.08586	3.9
85.06538	4.6
91.00101	0.8
91.05456	5.8
93.07022	31.5
95.08010	1.1
95.08585	22.8
97.10162	0.8
105.07008	15.5
107.08582	18.9
108.49634	0.7
109.10143	16.6
119.08556	15.9
121.10123	100.0
123.08051	2.5
123.11679	10.9
131.08586	0.9
133.10098	8.0
135.11647	9.5
137.09595	2.9
137.13173	1.2
147.11674	10.8
149.13242	20.5
151.11124	1.3
159.11642	0.8
161.03113	0.6
161.13223	4.4
163.14822	3.7
175.14777	0.9
177.16325	1.5
203.17941	13.6
205.19475	55.8
219.17447	1.2
221.18976	22.9
321.80389	0.7
400.11218	0.8
425.97073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.1
57.07082	1.8
58.60731	1.3
59.37335	1.0
59.44321	1.1
66.08638	1.3
67.05491	9.3
69.07059	15.0
71.05002	1.8
79.05463	9.1
81.07048	38.6
83.08588	3.1
91.05470	15.9
91.32218	1.2
92.08662	2.6
93.07028	37.5
95.04951	2.5
95.08591	27.5
97.10162	2.5
105.07020	87.2
107.08575	27.1
109.06473	1.9
109.10143	21.5
117.07018	5.6
119.08569	100.0
120.08897	1.3
121.06450	5.5
121.10118	32.5
123.11681	16.1
131.08572	5.0
133.10121	23.0
134.41174	1.4
135.08060	3.3
135.11655	13.4
137.09586	2.1
145.10103	8.1
147.11674	38.9
149.09615	2.0
149.13229	7.9
159.11693	7.3
161.12025	1.6
161.13202	12.5
163.11166	1.5
163.14911	1.4
168.06671	1.4
175.14812	8.5
177.12730	2.1
177.16362	7.8
191.17757	1.5
193.07535	1.6
201.16423	2.1
203.17935	83.4
205.19456	3.3
219.17508	2.5
221.19064	13.6
315.34268	1.6
349.38535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49085	0.6
53.03947	0.9
55.05507	6.3
56.24668	0.6
56.26562	0.7
57.07063	1.3
57.17997	0.7
58.98683	0.7
61.37418	0.7
61.41974	0.6
67.05497	7.0
69.07057	13.7
71.04973	1.0
79.05479	5.1
80.13589	0.6
81.07046	37.7
83.08612	3.8
84.36318	0.7
91.05470	4.2
93.07026	31.3
95.04958	1.3
95.08595	25.4
95.25174	0.7
97.10169	1.2
105.07020	15.5
107.08585	18.6
109.06516	1.1
109.10145	15.6
119.08570	17.9
121.10132	100.0
123.08085	1.6
123.11688	12.7
131.08586	1.0
133.10107	6.9
135.11665	11.4
137.09624	1.5
137.13266	1.3
140.95638	0.7
145.10175	1.0
147.11673	9.0
149.13255	20.9
151.11157	0.8
156.52571	0.8
161.13245	4.0
163.14783	2.8
164.27155	0.7
175.14871	0.9
177.16318	1.0
179.14413	0.7
201.16444	0.9
203.17943	15.6
205.19504	59.6
214.44244	0.8
219.17389	1.0
221.18967	17.5
221.20911	1.2
477.34653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.0
57.07057	6.4
64.24187	2.9
65.08878	3.2
67.05489	7.4
69.07055	23.9
71.04950	3.2
79.05460	20.2
81.07045	65.7
83.08575	4.3
85.06518	4.1
91.05448	15.9
93.07017	94.6
95.08569	46.5
97.28155	3.8
105.07001	61.7
107.08569	72.2
109.10133	35.7
119.08559	52.1
120.08850	4.3
121.10112	100.0
123.11689	27.4
133.10100	42.1
135.11691	21.9
137.13234	4.3
145.10081	14.1
147.11685	56.6
149.13237	94.7
151.11200	6.2
161.13239	7.5
163.14851	3.7
174.06749	3.4
189.16353	46.5
203.17900	35.3
204.18269	5.3
205.19547	47.0
207.17393	36.6
221.19000	30.6
380.26227	3.6
515.66071	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	492.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.0
55.05507	15.5
57.07070	12.2
59.04989	1.9
60.53506	0.9
63.55355	0.9
67.05491	15.6
69.02623	1.0
69.03407	1.9
69.06671	1.3
69.07050	29.5
71.04964	2.2
79.05466	12.9
81.07041	66.8
83.04932	1.5
83.08603	10.3
85.02885	7.6
85.06532	1.7
91.05466	17.6
93.07026	60.7
95.04974	7.7
95.08585	57.8
95.09202	1.8
97.02902	1.3
97.06493	4.1
97.10139	4.8
99.04378	1.0
105.06364	1.7
105.07021	37.0
105.47939	1.0
107.08577	91.2
108.08865	1.2
109.06505	15.0
109.10149	36.3
111.04430	6.2
111.08047	4.6
111.11674	1.8
114.37988	0.9
117.07008	4.4
119.08560	37.4
121.06461	5.5
121.09258	2.1
121.10125	57.8
123.08044	4.8
123.11708	17.3
125.05959	1.2
125.09576	1.5
129.06999	1.8
130.07742	1.3
131.08572	8.9
133.10110	57.7
135.08014	12.2
135.11671	48.9
137.05969	2.2
137.09602	76.6
137.13213	4.4
138.09940	1.0
139.11156	2.3
143.08554	2.1
145.10110	34.8
147.08049	11.2
147.11685	9.3
149.09602	5.1
149.13239	12.5
151.11189	2.3
157.10049	1.8
159.07922	1.3
159.11667	18.3
161.09587	5.0
161.13258	7.6
163.11139	8.3
165.09088	7.3
166.09503	1.2
173.13211	1.3
175.11119	1.1
175.14784	15.1
177.12741	2.2
177.16353	1.5
179.14334	1.3
191.17915	19.4
193.15852	19.9
201.16339	18.9
203.14304	4.7
203.17899	6.5
217.15768	1.6
219.17413	100.0
221.15332	71.1
221.18655	1.6
223.16902	1.7
235.16989	2.2
237.18388	11.4
238.59987	1.2
283.92282	1.1
336.45633	1.0
392.27646	1.3
438.09656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94170	0.9
53.00286	0.7
55.01865	17.8
57.03428	22.6
57.53069	0.8
59.04978	1.2
61.02911	8.9
66.83456	0.9
69.03417	23.8
71.01329	5.7
71.04961	1.3
71.45158	0.8
72.04489	1.0
73.02898	26.5
79.05468	2.2
80.40835	1.0
81.03394	4.6
81.69994	0.8
83.01348	0.8
85.02888	43.7
87.04452	3.9
91.03890	1.2
91.05439	4.4
93.07034	7.1
95.04921	1.3
95.08598	0.9
97.02872	27.0
99.04397	1.5
103.03902	2.1
103.05452	8.9
105.07023	3.8
107.04922	5.1
109.02862	3.7
115.03912	13.2
121.06477	27.1
125.02318	1.7
127.03886	8.8
131.04932	1.7
133.04958	15.9
135.08023	5.2
139.22044	0.8
140.04655	38.4
145.04930	10.0
149.05956	31.0
149.09654	1.2
153.05443	17.7
163.05975	1.5
163.07469	1.0
173.13057	0.9
181.08559	100.0
184.53250	1.0
198.42934	0.9
223.05984	1.4
241.07077	1.3
277.10663	1.2
494.39188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01860	6.6
57.03427	1.2
67.05475	1.5
69.03426	5.8
69.07059	1.6
79.05476	2.6
81.03407	2.1
81.07056	2.5
85.02895	11.5
91.05471	6.5
93.07033	6.0
97.02887	2.2
105.07008	21.5
107.04935	2.1
107.08582	2.5
109.10190	1.5
114.36815	1.2
115.05450	1.4
117.07011	9.6
119.04900	8.5
119.08554	34.8
121.06512	4.9
121.10146	10.3
123.04403	1.9
129.06960	10.9
130.07747	1.9
131.08546	22.9
133.06493	5.4
133.10120	25.4
135.04420	1.8
135.08073	1.5
135.11629	1.7
137.05984	17.2
137.06964	1.9
139.03828	1.4
141.06891	1.4
142.07753	9.3
143.04872	2.1
143.08533	18.4
144.09354	1.2
145.06488	3.1
145.10101	22.7
147.04379	6.3
147.08041	12.1
147.11665	66.2
149.05902	1.3
149.09654	1.7
151.07521	2.0
155.08577	1.8
156.09319	14.1
157.06448	5.9
157.10117	35.9
158.10864	5.4
159.08046	8.6
159.11670	35.1
160.08788	1.6
161.09619	5.3
161.13240	17.7
163.11150	5.4
165.05525	2.3
166.07762	2.1
171.08046	6.7
171.11636	28.0
172.08839	1.8
173.09622	7.6
175.07526	10.5
175.11172	40.7
177.09082	8.5
179.06996	1.6
181.10165	8.6
183.08070	2.5
184.08765	1.6
185.05991	2.9
185.09567	26.2
187.07539	9.6
187.11159	4.5
189.05415	8.2
189.09126	4.8
189.12712	38.4
191.10812	1.8
193.12222	2.3
199.11122	42.2
201.09169	2.0
203.07054	6.3
203.10626	16.6
205.08578	2.7
205.12250	2.6
209.09705	3.0
213.09172	2.3
215.10602	1.7
217.08897	1.8
217.12212	72.1
219.10130	9.4
227.10620	56.2
229.08644	2.1
231.10045	1.8
231.13812	3.1
235.09637	1.7
235.13260	58.9
245.11670	39.4
247.09750	1.6
259.13242	100.0
263.12747	1.8
277.10696	10.0
277.14331	47.7
295.11923	3.7
295.15320	32.3
313.12726	8.3
313.16504	5.3
382.92816	1.2
467.34317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74660	0.5
53.03927	2.8
55.05498	3.5
57.07071	7.9
58.99572	1.7
63.80381	0.7
65.03926	1.1
67.05479	3.4
69.07050	17.6
71.04965	0.9
71.08618	5.4
79.05471	18.2
81.07031	9.3
83.08590	0.8
87.02686	5.8
91.05458	82.1
92.05795	1.2
92.08621	0.8
93.07029	10.2
95.04941	4.7
95.08585	4.5
97.01161	0.7
103.05444	9.5
105.07010	89.6
106.06571	1.6
106.07796	9.0
107.08569	9.0
109.06488	1.6
109.10138	3.6
117.06974	2.9
119.08564	6.2
121.06471	3.2
121.10140	4.0
131.08562	3.5
133.06461	65.6
133.10094	3.5
134.07256	42.4
135.08026	100.0
135.11703	1.6
137.04208	5.3
137.09602	1.9
143.08743	1.6
145.10127	7.3
147.07971	1.0
147.11655	4.2
149.09586	1.0
151.07521	29.9
157.10088	3.5
159.08000	1.5
159.11682	4.4
161.09627	3.4
161.13289	0.8
165.03662	69.0
167.05263	12.8
173.09581	1.0
175.11130	0.7
175.14758	1.0
179.05212	17.3
181.10092	4.1
183.04707	1.1
187.11137	1.6
198.12753	42.6
199.14763	1.4
201.16423	1.7
203.17993	0.9
219.17479	1.2
277.16138	26.0
295.17212	90.8
310.53922	0.8
355.38446	1.1
414.50998	1.0
482.00061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62010	0.1
53.03927	0.5
53.61615	0.1
54.83062	0.1
55.01860	0.1
60.05427	0.1
61.02897	0.1
61.85711	0.1
69.03410	0.1
77.03873	0.1
79.96959	0.1
81.03407	0.1
85.02884	0.6
91.05457	3.1
93.07024	6.3
95.04950	1.2
97.02888	0.2
103.05446	3.6
105.04509	0.2
111.50028	0.1
121.06482	100.0
122.06780	0.2
137.05922	0.8
159.08018	0.1
171.07681	0.1
187.74123	0.1
277.10709	0.2
295.11703	0.2
313.12637	0.2
448.29874	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03434	1.8
58.62390	1.3
60.62951	1.1
61.02901	2.7
67.43208	1.3
69.03416	7.2
71.04972	1.4
73.02893	2.7
81.07051	1.9
83.75513	1.2
85.02900	26.6
88.34913	1.2
89.89722	1.2
90.39798	1.3
91.05474	2.2
94.31678	1.3
97.02866	9.5
103.05433	1.9
105.07016	12.3
107.08591	1.4
109.02950	1.6
109.06467	1.3
115.05435	1.4
117.07014	7.0
119.08561	5.5
127.03943	2.6
128.06203	5.5
129.06970	8.1
130.07790	7.8
131.04871	1.9
131.08510	9.6
133.10138	3.0
137.05978	3.4
141.06985	8.9
142.07796	9.0
143.08540	27.0
144.09343	5.8
145.04958	1.6
145.06487	12.3
145.10112	80.2
147.08057	3.2
154.07768	3.0
156.09332	39.3
157.10103	23.0
158.10802	3.0
159.08067	3.2
159.11687	38.9
161.09608	12.5
163.07510	2.1
167.08548	5.5
169.10120	20.5
171.08026	13.0
171.11664	32.6
173.05949	6.9
173.09663	2.0
175.11214	6.4
176.11926	2.8
185.09567	16.8
186.10089	1.8
187.07449	1.8
187.11160	15.1
189.09050	17.9
191.07069	9.6
191.10703	1.6
195.08028	2.1
197.09605	17.9
201.05470	2.8
201.09016	1.5
203.10657	16.1
213.09093	22.7
215.10614	19.4
217.08514	2.4
219.10144	2.5
231.10104	42.2
233.11674	42.6
241.08585	7.4
247.09688	2.5
249.11182	27.6
259.09631	28.3
265.10596	1.7
275.09116	2.3
276.09457	2.6
277.10687	31.0
295.11716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01858	2.1
55.05510	22.2
56.12889	1.8
56.96557	1.8
57.03423	2.8
58.04658	1.5
64.32653	2.1
65.03916	2.2
67.05501	29.5
69.03412	11.8
69.07051	20.4
71.04975	13.2
73.02872	2.3
79.05477	32.1
81.07042	100.0
82.27673	1.8
82.43244	2.2
83.04992	2.3
83.08617	4.7
85.02886	10.8
91.05473	30.0
93.07030	75.0
95.04947	9.6
95.08588	68.4
97.06506	17.4
97.10138	3.0
98.97575	2.7
105.07022	57.3
107.08584	77.2
109.06510	10.4
109.10157	35.4
111.08092	8.0
117.06998	12.6
117.48463	2.0
119.08573	57.8
120.08916	10.4
121.10116	41.4
123.08035	11.3
123.11685	8.9
125.09605	8.7
129.06984	4.6
130.07800	4.1
131.08554	26.8
133.10126	19.3
135.11707	12.5
137.05991	2.7
143.08490	2.2
144.09323	3.9
145.10110	42.9
147.11688	9.5
149.09608	3.2
149.13235	19.2
149.29617	2.2
151.07535	3.2
151.11127	4.2
157.10139	2.7
159.11671	33.3
161.13220	16.1
163.11224	4.0
165.09096	3.0
173.13246	9.7
175.14851	3.1
177.09128	2.5
181.87730	2.1
191.17993	3.1
201.16393	34.2
214.23981	1.9
219.17444	25.0
261.21634	2.0
357.86948	2.2
492.63974	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	491.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.0
55.05510	27.0
56.96567	2.0
57.07070	2.8
65.03945	1.9
66.55897	2.3
67.05492	36.2
69.03401	10.3
69.07051	26.1
71.04979	15.5
74.99591	2.1
79.05480	34.2
81.07037	100.0
83.04945	2.1
83.08588	3.1
85.02889	5.3
85.06544	5.5
86.10046	2.0
91.05450	26.3
93.07027	71.2
95.04951	5.2
95.08587	72.8
97.02867	3.2
97.06498	14.6
97.10136	4.4
98.97603	4.4
105.07011	65.5
107.08579	83.4
109.06486	4.6
109.10141	41.6
111.08087	5.5
116.98616	2.5
117.06995	9.3
119.08554	44.8
121.10121	45.7
123.08057	9.0
123.11680	9.4
125.09582	15.8
128.06253	3.1
130.07805	2.7
131.08533	27.0
133.10129	21.0
134.31415	2.3
135.08063	3.4
135.11685	13.7
137.09618	4.9
143.08492	3.5
145.10098	62.4
147.11691	11.7
149.09636	4.1
149.13220	18.2
151.07535	10.4
151.11179	3.8
157.10089	4.5
159.11679	34.7
161.13248	13.6
163.11174	2.9
165.07813	3.5
165.09053	27.0
173.13297	11.6
175.14804	4.9
181.12170	9.1
191.17825	3.1
199.14964	2.5
201.16362	35.1
219.17409	27.3
222.28427	3.0
242.67909	2.3
301.58081	3.1
347.10019	2.8
380.15152	2.3
469.94650	2.4
474.14664	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	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89131	1.3
53.03944	1.6
54.67593	1.4
55.05499	9.0
57.07074	2.3
57.15868	1.3
67.05486	16.3
69.03405	2.6
69.07055	28.6
71.04968	2.0
79.05477	12.6
79.06518	1.4
81.07040	49.8
83.08601	5.9
85.02888	1.8
91.05470	22.1
93.07019	42.1
95.04951	8.7
95.08587	43.3
96.91740	1.4
97.06497	6.8
97.10168	2.9
105.07013	77.8
107.08575	62.3
109.06503	17.8
109.10138	31.6
111.08042	5.5
116.52299	1.6
117.06985	7.8
119.07713	3.5
119.08560	100.0
121.06477	30.1
121.10127	60.7
122.19855	1.7
123.08019	2.0
123.11665	20.0
131.08585	6.3
133.10110	31.6
135.08038	43.4
135.11681	16.5
137.09587	2.3
137.13252	3.0
145.10118	19.1
147.11674	32.1
149.09633	2.2
149.13228	13.2
151.11180	2.4
159.11642	16.4
161.13263	12.4
163.11125	9.0
163.14870	2.2
165.12799	1.7
173.13306	2.3
175.11121	2.0
175.14864	8.7
177.12703	2.2
177.16350	9.5
177.72949	1.6
189.16454	2.7
191.14270	8.7
191.17905	3.5
193.15849	8.4
201.16345	15.7
203.17911	34.0
203.19673	1.9
205.19472	21.5
207.17424	1.7
212.40823	1.5
218.29367	1.6
219.17426	46.3
221.18990	12.3
235.16968	2.0
358.11621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76262	1.1
53.03929	1.5
55.01848	1.2
55.05515	13.7
57.03416	1.0
57.07064	8.4
59.04993	1.3
63.47606	1.2
67.05498	17.6
68.05817	1.3
69.03412	5.5
69.07060	27.1
71.04980	13.0
74.09720	1.2
79.05477	24.9
80.05807	1.7
81.07040	51.9
82.07364	2.0
83.04967	3.0
83.08606	6.5
85.06529	17.4
86.06866	1.5
91.05463	26.7
92.64462	1.4
93.07024	84.3
94.07336	2.6
95.04956	6.4
95.08588	46.8
97.06510	21.2
97.10157	1.9
99.04424	1.8
103.05415	1.5
105.07018	52.3
106.07375	4.7
107.04913	1.4
107.08582	100.0
108.08928	4.7
109.06519	10.5
109.10135	27.7
111.04370	1.5
111.08075	4.8
115.05469	1.5
117.07021	11.8
119.08558	36.6
120.08875	1.9
121.05753	1.5
121.06490	13.7
121.10120	40.6
122.10411	1.6
123.08054	5.7
123.11685	9.6
125.09574	1.8
129.06976	2.6
131.08583	15.6
132.08934	1.9
133.10112	37.8
134.10480	2.1
135.08066	13.4
135.11665	32.0
137.09610	6.9
137.13203	2.4
139.07524	67.6
142.07738	1.3
143.08546	2.7
144.09337	2.3
145.10114	35.6
146.10443	5.7
146.50587	1.3
147.08073	2.5
147.11670	15.4
148.12009	1.8
149.09628	6.2
149.13235	25.0
151.11195	3.0
153.09099	14.7
153.12773	1.3
157.10126	7.2
159.07945	1.6
159.11667	23.5
160.12067	2.8
161.09567	4.9
161.13251	9.6
163.11191	4.7
163.14758	1.9
167.14285	2.0
169.77675	1.3
173.13229	7.0
175.11220	2.1
175.14792	14.3
177.12735	8.4
177.16399	2.5
179.14246	1.5
187.14818	1.6
189.16214	1.4
191.14299	6.4
191.17888	9.6
193.15906	2.0
195.13763	4.6
199.14777	2.3
201.12764	2.4
201.16364	20.6
203.17926	7.3
204.18233	1.3
205.15831	1.6
209.15369	20.3
217.15918	5.3
219.13806	6.2
219.17392	41.9
220.17662	1.5
221.15515	1.5
221.19019	1.6
235.16913	2.2
237.14816	19.1
237.18454	10.8
281.61685	1.2
358.32675	1.2
419.02243	1.3
491.30801	2.7
505.05756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.0
57.01294	0.6
57.07055	1.1
63.54183	0.8
67.05495	7.1
69.03428	0.9
69.07054	12.1
69.07410	1.0
71.04981	4.5
79.05465	8.5
81.07040	16.5
83.08606	1.8
85.06532	4.2
86.92914	0.8
91.05457	14.3
92.09335	1.6
93.07021	26.4
95.04954	4.1
95.08589	17.5
97.06493	1.0
103.05447	1.2
105.07014	90.4
107.08576	15.7
109.06510	1.7
109.10143	12.9
111.08051	1.4
117.06985	5.0
119.08559	100.0
121.06470	3.3
121.10110	22.8
123.08068	1.3
123.11652	5.4
131.08546	4.4
133.10107	13.6
135.08034	3.2
135.11659	4.6
137.09668	1.1
145.10120	14.0
147.11664	12.4
149.13237	4.0
151.07283	0.8
151.11153	0.8
156.57790	0.8
159.11632	5.8
161.09621	1.6
161.13235	6.5
161.14383	0.7
163.11205	1.0
175.14857	1.1
176.12036	1.1
178.99617	0.8
180.39798	0.8
191.17958	2.7
201.16396	6.2
203.17928	17.8
219.17442	5.2
395.08289	0.9
405.64542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
56.27065	0.6
57.07067	1.5
64.70858	0.7
67.05494	7.6
69.03406	1.6
69.07062	11.4
72.57370	0.7
79.05458	7.3
80.72690	0.6
81.07039	16.9
83.08620	2.8
91.05460	12.5
92.64050	0.7
93.07030	18.7
95.04947	5.5
95.08585	18.8
97.06525	3.4
105.07018	70.9
107.08579	23.4
109.06511	5.1
109.10143	18.2
111.08075	1.7
117.07023	6.9
119.08565	100.0
121.06501	10.5
121.10130	12.5
123.08028	3.0
123.11680	8.6
131.08554	1.7
133.10100	16.7
135.08038	30.2
135.11629	7.3
137.09619	1.3
145.10085	7.9
145.74307	0.7
147.11694	15.0
149.09644	0.8
149.13232	2.9
151.11165	0.8
159.11667	5.9
161.13281	5.8
163.11198	5.2
175.14798	4.3
177.12695	1.7
177.16328	1.1
191.17896	1.4
193.15904	3.9
201.16322	5.4
203.17928	25.5
205.19598	0.8
219.17424	16.2
235.39572	0.7
396.94449	0.8
411.16608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.7
54.97953	0.8
55.05503	7.0
57.06601	0.7
57.07069	3.8
59.04974	1.0
67.05502	12.0
69.06767	0.9
69.07070	13.8
71.04990	5.8
73.78586	0.8
75.05029	0.7
79.05479	10.3
80.79984	0.7
81.07043	50.7
83.08597	4.1
85.06532	2.0
85.73954	0.8
91.05468	10.5
93.07026	39.5
95.04952	1.9
95.08008	1.4
95.08591	31.7
97.10137	1.9
105.07019	26.2
107.08576	24.7
107.19331	0.8
109.06490	1.3
109.10149	24.4
111.08092	1.3
111.11708	0.9
117.07042	1.4
119.08572	29.8
121.10129	100.0
122.10490	0.9
123.08057	3.4
123.11704	10.4
127.11160	3.2
131.08551	3.3
133.10110	10.8
135.08014	1.8
135.11659	9.5
137.09598	3.3
137.13211	1.4
145.10101	7.3
147.11673	17.8
149.13235	18.7
151.11127	1.5
156.19926	0.8
159.11642	7.3
161.13232	13.0
163.11205	0.9
163.14818	4.9
165.12679	1.0
173.13312	1.3
174.83755	0.9
175.14792	1.5
177.16347	1.7
179.14294	0.9
180.82254	0.7
191.17841	1.1
201.16374	3.8
203.17947	26.7
205.19489	43.0
219.17442	5.0
221.18990	20.0
222.88342	0.9
237.18546	1.2
478.25064	0.9
514.26440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36654	1.6
55.05506	11.8
57.07070	7.1
58.50523	1.4
65.98313	1.5
67.05496	12.2
68.91675	2.0
69.07047	24.7
71.04975	7.3
73.03101	1.8
73.08976	1.6
76.32684	1.6
79.05484	9.4
81.07043	46.1
83.04986	16.3
83.08612	8.0
91.05479	4.0
92.09333	3.9
93.07024	29.6
95.04954	16.6
95.08595	36.6
95.34102	1.9
97.06502	19.3
97.10144	1.9
105.07001	21.0
107.08587	38.9
109.06503	10.7
109.10130	25.0
111.08090	2.3
115.38788	1.7
117.07001	3.9
119.08565	16.2
121.06503	8.3
121.10139	24.3
123.11683	20.7
125.09594	3.3
131.08524	3.4
133.10149	10.5
135.08043	9.1
135.11682	25.3
137.13229	2.3
145.10130	23.7
147.11678	4.1
148.24275	2.0
149.13280	2.1
153.12732	9.7
159.11665	23.1
161.13249	7.6
163.11154	9.0
163.14844	2.7
175.14844	2.5
177.12712	2.4
191.17899	19.0
201.16377	17.5
214.00237	1.8
219.17426	44.4
237.18457	100.0
268.50632	2.0
301.58313	1.7
375.87683	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
55.51146	0.4
56.89100	0.3
57.07066	0.5
61.89199	0.4
65.72765	0.4
67.05494	4.5
69.07064	4.6
71.04968	0.7
79.05473	2.3
81.07047	7.7
82.03820	0.3
83.08592	0.5
84.72656	0.3
85.06517	2.3
91.05467	7.1
93.07017	9.1
95.04961	3.8
95.08595	7.3
103.05446	0.6
105.07018	69.6
106.07365	0.5
107.08584	4.7
108.89067	0.4
109.06503	0.8
109.10142	6.9
115.05430	0.5
117.06993	5.3
119.08565	100.0
120.08891	0.4
121.06477	0.9
121.10110	3.9
123.11665	3.1
131.08467	0.5
133.10120	9.3
135.08032	12.6
135.11676	0.8
137.09579	0.5
144.60483	0.4
145.10063	3.1
147.11678	8.1
149.13239	2.0
159.11644	0.9
161.13184	3.5
163.11026	0.5
175.14771	0.5
201.16423	0.7
203.15988	0.6
203.17924	16.3
219.17366	4.6
227.97894	0.4
250.45168	0.5
307.12790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.3
57.07061	1.7
67.05495	4.7
69.07052	8.7
69.07359	0.8
71.04975	1.7
72.93318	0.8
76.19241	0.9
79.05473	5.0
81.07034	16.6
83.08599	0.8
85.06524	1.2
90.32030	1.1
91.05467	14.5
92.09372	1.2
93.07024	19.3
95.04957	5.6
95.08575	18.6
97.06560	1.1
105.07014	71.9
107.08571	13.8
107.87533	0.9
109.06516	1.4
109.10140	13.3
111.08051	1.1
117.06998	6.0
119.08563	100.0
121.06525	1.1
121.10133	9.2
123.11684	4.7
125.09544	1.0
131.08607	3.5
133.10112	16.1
135.08020	15.6
135.11667	4.6
136.63051	0.9
137.09644	1.1
143.08530	1.7
144.17880	0.9
145.10100	10.3
147.11659	11.5
149.13258	2.1
151.11081	1.1
157.10149	1.1
159.11670	6.4
160.88083	1.1
161.09554	3.5
161.13269	7.1
163.11099	1.4
175.14777	2.0
194.13170	1.1
201.16377	6.2
203.17924	18.7
210.26131	1.0
217.15836	1.4
219.17416	7.0
221.18919	1.1
237.18515	1.7
260.21722	1.2
351.79782	1.0
403.28131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	4.4
55.05507	10.1
57.03428	26.8
59.04992	1.3
61.02912	14.3
62.57291	0.8
67.05499	1.2
69.03414	70.7
71.04974	59.1
73.02895	7.9
75.04450	2.1
75.11195	0.8
81.03394	14.8
83.04964	46.9
85.02888	100.0
87.04449	11.2
91.03936	7.3
97.02872	0.8
99.04429	36.5
100.77573	0.9
101.05999	1.8
103.03918	55.8
109.02883	3.7
111.03650	1.3
111.04428	39.3
117.05505	1.4
117.10525	0.9
127.03887	38.0
129.05450	75.4
132.65697	0.9
139.03926	1.6
145.04930	13.4
147.06506	21.4
148.03943	2.2
163.06032	10.6
165.06166	1.3
165.07552	37.8
166.05005	5.3
183.08647	1.7
184.06125	2.8
189.07574	12.9
207.08646	4.6
229.10675	2.1
247.11751	1.9
255.08543	1.6
273.09778	9.8
291.10709	20.7
309.11716	71.8
455.17474	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81544	0.7
55.01872	1.3
55.05507	2.9
57.03430	14.5
60.32204	0.7
60.35115	0.6
61.02908	2.9
61.99838	0.7
63.75291	0.7
67.05483	3.1
68.69413	0.7
69.03416	5.0
69.07073	0.8
71.04977	77.4
73.02903	4.4
73.06515	0.7
75.04467	4.2
78.36977	0.6
79.05480	0.9
81.03404	1.4
81.07033	3.9
83.04956	8.6
83.08598	0.8
85.02891	100.0
85.06544	0.9
87.04450	1.5
89.61997	0.8
91.05460	1.5
93.07020	3.2
95.08585	1.8
97.02854	6.2
99.04488	1.4
105.07027	5.8
107.08584	1.7
109.06500	1.0
111.04447	3.5
119.08549	3.6
120.54720	0.8
121.10136	1.4
125.05983	1.0
126.07075	0.7
127.03911	3.5
129.05458	21.8
129.06950	1.2
131.08611	0.9
133.06442	6.1
133.10117	1.4
137.05962	16.0
145.04936	0.9
147.06485	9.6
149.02333	4.1
149.09630	1.1
159.08099	1.0
162.06725	0.8
164.09183	3.1
165.09090	9.2
167.55853	0.7
177.09109	3.6
178.09360	0.9
189.09024	5.3
207.13768	0.8
293.13745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01864	0.6
55.05496	4.2
57.03429	14.8
57.06627	0.4
58.24849	0.4
59.04984	0.9
61.02913	1.7
63.24901	0.5
65.36446	0.4
67.05489	0.9
68.66661	0.4
69.03417	3.6
69.07050	0.7
71.01358	0.6
71.04975	85.9
73.02906	3.1
75.04467	3.9
79.05471	1.0
81.03387	0.7
81.07040	2.1
83.04971	7.8
84.46220	0.5
85.02888	100.0
87.04457	2.2
91.05462	1.1
93.07018	1.8
95.04934	1.7
95.08596	0.9
97.02863	4.8
98.95812	0.4
99.04424	3.1
103.03918	1.7
105.07009	6.4
106.58402	0.5
107.08569	2.0
109.02893	0.7
109.06509	0.9
109.10153	0.7
111.04443	3.2
115.03878	0.5
117.06982	0.7
118.66518	0.4
119.08533	1.0
121.10164	0.6
123.08026	0.4
127.03876	4.0
129.05450	25.4
129.06902	0.9
131.08545	1.7
133.06451	7.9
133.10127	0.5
137.05959	16.1
145.04935	1.9
145.06464	0.7
146.08131	0.5
147.06496	12.4
149.02325	1.8
155.08493	0.4
157.06447	0.6
159.07999	0.7
164.09145	1.1
165.09077	10.6
174.06749	1.8
176.69405	0.5
177.09044	2.8
179.06979	0.5
189.09053	4.2
191.10773	0.6
201.09087	0.6
219.10019	0.7
236.01324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61049	0.1
53.27749	0.1
59.04998	2.4
69.03429	0.2
69.16627	0.1
70.05386	0.2
75.00166	0.1
79.05461	0.2
81.07047	0.2
85.02895	0.8
85.06544	1.7
91.05466	0.7
93.06995	0.6
95.04932	0.2
96.50903	0.1
97.02882	0.2
98.97581	0.3
99.38951	0.2
101.06022	2.0
103.03937	0.2
103.05457	4.8
107.04942	1.7
112.56554	0.2
113.05984	0.2
115.68108	0.1
118.06531	0.3
120.08087	100.0
121.08429	1.4
127.07536	1.6
131.04922	3.0
139.03984	0.2
145.08575	2.5
149.05962	1.4
163.09621	1.4
166.08614	27.7
167.08981	0.3
185.82634	0.2
202.76059	0.2
219.01672	0.2
249.73047	0.2
275.08844	0.2
324.52725	0.2
491.07349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01857	0.3
55.05495	2.0
57.07075	3.1
57.79493	0.2
63.09892	0.3
67.05499	3.0
69.03401	0.4
69.07056	3.2
71.04967	1.5
71.08611	3.9
74.09680	0.4
79.05486	2.3
79.57403	0.3
81.07046	5.1
83.04964	0.4
83.08587	0.7
85.06517	2.1
91.05479	4.3
93.07022	12.1
95.04921	1.3
95.08606	3.9
97.06526	0.6
105.07013	12.0
107.08568	4.8
109.06474	0.6
109.10164	3.9
117.06996	3.5
118.96236	0.3
119.08563	6.9
121.06469	6.7
121.10114	5.7
123.08044	1.3
128.06126	0.5
129.06963	0.6
130.07780	2.4
131.08551	10.5
133.06409	0.6
133.10107	6.1
135.08035	6.6
135.11679	1.9
137.09618	0.4
139.07521	1.8
142.07709	0.4
143.08549	1.6
145.10107	100.0
146.07278	0.6
146.10422	0.3
147.08025	3.2
147.11664	2.4
149.09618	0.7
149.13277	0.6
151.11098	0.6
157.10088	2.7
159.08080	0.5
159.11664	16.4
160.08842	0.8
161.09587	9.7
161.13208	1.6
171.11710	0.4
173.09631	0.5
173.13216	0.7
175.11147	6.2
175.14798	1.3
189.16347	0.5
199.14767	0.4
201.16350	45.2
203.14365	0.4
203.17920	0.7
211.14764	0.4
217.15865	4.6
219.17497	2.4
233.15199	0.5
235.16931	0.5
453.33536	1.3
510.24347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
53.95784	1.0
55.05503	5.3
56.43554	0.8
57.07066	6.2
67.05486	9.1
69.07061	12.7
71.08622	4.3
73.99313	0.9
79.05475	11.1
81.07046	21.8
83.04988	1.2
83.08610	6.4
91.05461	14.9
93.07029	34.4
95.04961	6.0
95.08586	19.2
97.06528	1.1
105.07020	46.4
107.04924	1.8
107.08590	26.7
109.06516	8.7
109.10140	15.0
110.85932	1.1
117.07011	10.2
119.08556	32.3
121.06484	37.3
121.10116	22.0
123.08059	4.1
123.11691	4.0
129.06967	4.0
130.07765	1.4
131.08542	16.0
133.06464	5.4
133.10114	25.7
133.11041	1.6
135.08034	31.8
135.11642	22.3
137.09576	1.4
142.07773	1.6
143.08540	4.9
144.09293	1.4
145.10110	100.0
146.07260	5.7
147.08046	10.4
147.11658	9.5
148.03098	1.1
149.09642	2.0
149.13251	5.7
157.10033	7.1
159.08081	2.2
159.11667	27.5
160.08813	2.3
161.09578	50.3
161.10855	2.1
161.13242	7.1
163.11119	1.7
171.11765	1.6
173.13248	2.0
175.11162	20.4
175.14778	15.1
177.12759	4.8
177.16405	1.6
189.16422	4.5
191.17870	5.3
193.15872	4.7
199.14812	2.1
201.16348	52.9
203.14282	1.2
203.17905	5.4
205.19542	5.3
212.52560	1.1
217.15849	25.5
219.17371	14.7
221.18918	2.1
235.16867	12.6
237.18510	12.4
257.32605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88580	0.2
56.05029	2.8
58.16959	0.2
64.87515	0.3
69.03431	0.4
81.99658	0.3
84.04491	100.0
85.02430	0.3
85.02884	2.6
85.04807	0.3
99.04452	0.3
102.05524	35.2
130.04980	44.0
131.03343	0.4
148.06030	63.8
160.93660	0.2
183.59232	0.3
223.66354	0.3
242.51065	0.3
312.85703	0.3
402.79944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42870	0.6
50.91187	0.7
53.03941	1.3
55.01867	1.3
55.05503	0.7
55.56982	0.7
57.03428	1.7
61.02916	5.0
66.59709	0.8
67.05489	1.8
69.03407	8.5
71.04973	0.9
73.02923	1.1
77.03889	1.1
79.05446	0.8
81.03408	3.7
85.02889	26.1
91.05461	9.6
93.07052	0.9
95.04919	1.8
97.02859	8.8
99.04439	1.6
103.05421	1.6
105.07010	23.0
107.04984	1.0
107.72987	0.7
109.02806	1.1
115.05447	3.6
116.06228	1.0
117.07002	12.4
119.08549	6.9
121.06498	3.3
123.04412	1.5
127.03907	4.3
128.06224	1.9
129.06987	20.2
130.07713	1.3
131.04900	1.8
131.08539	28.9
133.06480	3.1
133.10106	18.3
141.06981	4.1
142.07751	41.6
142.08838	1.4
143.08551	6.6
144.05624	1.0
144.09380	5.6
145.04997	1.8
145.06369	1.8
145.10110	9.7
146.07269	4.8
147.08025	1.3
147.11647	1.2
149.05907	1.7
153.07019	1.0
155.08565	3.8
157.06490	3.7
157.10104	57.7
159.04474	1.9
159.08022	23.7
159.11661	7.7
161.05945	1.5
161.09602	28.6
167.08521	1.4
171.08031	3.5
173.09592	4.2
175.11189	6.5
175.77872	0.8
177.05420	4.3
177.09061	6.6
185.09586	31.1
185.11224	1.2
187.07529	5.9
189.09114	1.1
201.09047	5.5
203.10652	7.2
205.04916	4.2
205.08578	48.3
215.07021	11.1
217.08626	1.6
219.10152	17.6
229.08582	5.4
233.08115	5.7
247.09596	35.0
263.09116	4.9
265.10632	43.1
275.09076	100.0
293.10092	13.6
311.11182	28.0
473.16461	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	488.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.0
57.07068	3.7
63.71391	0.4
67.05484	3.1
69.03412	0.6
69.07064	3.3
71.04945	0.6
71.08619	5.1
79.05460	2.0
81.07044	5.7
83.08597	0.8
85.06536	0.6
88.99957	0.5
91.05452	5.2
93.07020	7.9
95.04933	1.9
95.08599	5.7
104.61992	0.5
105.07014	27.7
107.08562	8.6
109.06505	0.9
109.10145	5.9
111.08051	0.9
112.41925	0.5
117.07021	3.3
119.04961	0.5
119.08562	30.5
121.06478	5.4
121.10097	4.8
123.08034	2.3
123.11671	1.9
127.11178	0.6
128.06212	0.8
129.06979	0.5
130.07765	1.9
131.08549	8.0
133.10120	7.8
135.08044	6.7
135.11693	2.2
142.07758	2.2
143.08563	2.2
144.09364	0.7
145.10110	100.0
146.07263	1.8
147.08105	0.6
147.11705	3.7
149.09651	0.9
149.13229	0.6
150.64041	0.5
157.10117	3.7
159.11662	14.7
161.09593	17.7
161.13188	3.8
164.03604	0.5
165.12701	1.0
173.13205	0.6
175.11139	5.3
175.14755	0.9
189.16353	0.6
192.18752	0.6
201.16359	43.7
203.17923	4.1
217.15857	6.2
217.68875	0.5
219.17380	2.5
221.81592	0.5
235.17017	0.8
237.18379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98020	0.6
55.05500	1.4
57.07054	4.5
64.33016	0.7
67.05488	2.9
67.09251	0.6
69.07041	3.1
69.99258	0.6
71.08607	5.0
78.92472	0.6
79.05444	0.8
80.18207	0.7
81.07011	5.0
81.31426	0.7
82.35676	0.6
91.04968	0.7
91.05457	6.5
93.07022	8.3
95.04948	1.1
95.08581	6.2
105.06371	0.9
105.07018	17.9
107.08559	7.0
109.10147	3.7
117.06993	2.9
119.08543	11.8
121.06471	5.2
121.10096	3.9
121.13289	0.6
125.47414	0.6
127.11152	0.8
128.06172	1.0
130.07759	1.4
131.08553	8.9
133.10107	5.0
135.08043	4.1
142.07771	1.0
143.08565	1.3
144.05511	0.7
144.09328	0.7
145.10101	100.0
146.07216	0.8
146.10439	0.8
147.08017	0.7
147.11670	1.6
157.10062	5.3
159.11679	18.3
161.09590	12.6
161.13242	3.1
171.11491	0.9
175.11227	6.3
177.12582	0.7
201.16356	47.9
203.17967	3.1
217.15823	4.9
219.17433	4.1
235.16896	1.2
237.03203	0.6
253.78496	0.9
261.78802	0.7
319.88455	0.7
355.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76312	0.7
53.03931	1.2
55.01846	1.1
55.05495	5.8
57.03427	10.1
57.07059	1.1
59.04988	100.0
59.87032	0.9
61.02904	1.4
67.05495	1.0
69.03407	4.9
71.01350	0.9
71.04610	1.8
71.04974	36.2
73.02887	6.0
75.04448	1.9
81.03370	1.4
81.07047	11.8
83.04967	11.8
83.08633	1.0
85.02889	55.2
85.06529	73.7
93.83824	1.0
97.02865	5.4
99.04418	7.0
101.05997	93.3
103.03925	11.8
109.06505	10.4
111.04398	4.2
117.05460	3.7
119.07021	1.7
127.03883	1.7
127.07532	70.4
129.05446	11.7
131.07031	15.4
145.04970	1.6
145.08578	84.6
147.06493	2.2
150.12068	1.0
159.06474	1.4
163.03815	0.9
163.09618	74.5
174.74086	1.0
177.07559	5.5
203.98004	0.9
208.14525	1.0
259.97388	1.1
309.11703	1.1
371.92126	1.1
406.93268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
56.15717	0.4
57.07060	3.4
59.18040	0.4
67.05486	3.3
69.07053	4.5
71.04970	0.6
71.08633	4.2
75.24416	0.4
79.05482	2.7
81.07053	5.7
83.08606	1.2
91.05466	6.0
92.09359	0.8
92.51738	0.5
93.07030	8.6
95.08596	6.5
105.07024	19.3
107.08587	7.1
109.06538	0.5
109.10149	5.2
111.08110	0.7
117.07012	5.6
119.04973	0.6
119.08568	12.4
121.06451	3.6
121.10147	5.4
123.08050	0.8
123.11682	1.1
128.06181	0.6
129.06985	1.1
130.07758	3.1
131.08546	13.1
133.10129	6.8
135.08052	3.0
135.11650	2.0
137.09622	1.0
139.07411	0.5
142.07787	2.8
143.08542	3.1
145.10118	100.0
146.07199	1.0
146.10468	0.9
147.08047	0.9
147.11679	3.3
149.13155	0.5
157.10110	7.3
159.11676	17.7
161.09592	10.9
161.13249	3.1
165.09082	0.6
173.13283	0.7
175.11147	9.9
175.14732	1.0
199.14856	2.2
201.16374	59.8
202.16866	0.5
203.17917	3.5
217.15866	3.1
219.17451	3.8
237.18547	1.9
297.93658	0.5
445.11230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.8
54.82110	3.0
55.05495	12.3
57.07076	2.7
67.05489	24.1
69.03409	3.0
69.07059	20.5
70.22118	2.4
71.04970	5.5
79.05473	19.7
80.02299	2.2
81.07037	46.0
83.04964	3.8
83.08585	4.1
85.06517	3.2
85.95106	2.4
87.04433	3.4
91.05460	29.3
93.03169	2.4
93.07023	50.8
95.04932	11.0
95.08582	32.6
97.06501	4.4
97.10157	2.4
103.05442	3.1
105.07016	48.1
107.04831	3.6
107.08571	45.4
107.48437	2.1
109.06479	14.7
109.10149	22.0
111.08012	2.9
117.06988	13.7
119.08569	42.0
121.06470	16.9
121.10104	19.6
123.08067	5.0
123.11690	10.6
124.08833	2.4
128.06100	2.7
129.06972	9.9
131.08513	25.8
133.10075	29.7
135.08044	16.9
135.11678	14.9
137.09610	5.8
139.07466	2.8
142.07764	4.1
143.08536	12.3
145.02652	2.1
145.10130	36.8
146.10439	3.3
147.07973	13.9
147.11664	23.4
149.09581	5.8
149.13206	5.3
150.94427	2.5
153.09067	2.6
157.10135	12.8
159.11650	19.3
161.09581	14.6
161.13251	11.9
171.11711	4.6
173.13168	4.1
175.10959	42.6
175.14708	5.0
177.12735	2.9
187.14790	2.2
189.12480	12.3
189.16345	9.6
191.10530	3.8
193.15921	2.8
199.14807	3.4
201.16374	14.1
203.14195	2.4
203.17886	3.2
205.08374	2.7
205.15744	2.9
206.40236	2.1
215.14174	5.2
217.15836	18.0
219.09912	9.8
219.13528	2.9
219.17416	10.7
233.15413	2.6
233.71011	2.5
234.12193	4.6
235.12990	4.0
235.16858	9.2
247.16655	9.0
247.54036	2.4
259.16660	2.8
261.14609	9.6
275.16016	24.1
364.42438	2.6
365.55640	2.6
381.27567	100.0
427.28156	22.6
441.29501	5.3
447.78598	2.7
470.73416	2.7
487.29691	4.3
487.36020	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	484.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
57.06815	1.5
57.07073	27.9
58.06591	1.8
61.34271	0.8
66.90508	0.9
67.05490	2.0
69.07054	3.7
70.06581	18.0
71.08612	13.2
73.02895	1.0
81.07038	3.8
83.08602	3.8
85.10175	4.8
86.12674	1.0
88.07616	31.6
92.08730	1.0
95.08597	5.6
97.10177	1.7
102.09167	18.6
106.08649	1.5
109.10118	1.0
151.71179	0.9
170.28795	1.0
200.20070	31.2
210.71240	0.8
218.21196	3.4
228.23204	34.0
246.24403	4.7
255.23135	2.1
256.26398	0.9
283.26282	41.8
311.29410	29.7
451.90607	1.1
481.26862	0.9
484.47168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52166	0.2
55.05512	0.3
57.58360	0.3
64.02731	0.2
65.68140	0.2
66.12653	0.3
69.07037	0.3
73.44922	0.2
79.05501	0.3
79.57777	0.3
81.07044	0.4
83.08591	0.6
91.05487	0.4
93.07039	0.4
97.43269	0.3
165.39912	0.3
203.05289	1.6
239.09673	0.4
265.46844	0.3
275.07401	1.1
335.09415	16.3
355.17227	6.6
487.21454	100.0
488.21375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2148
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05501	0.3
69.07063	0.5
69.21471	0.3
70.23405	0.3
70.96437	0.3
73.83639	0.3
74.04629	0.3
81.07069	0.3
83.79458	0.3
85.02899	0.8
86.93677	0.4
93.06994	0.4
93.31478	0.3
116.01907	0.4
127.03896	0.5
155.25085	0.4
203.05252	0.8
275.07480	0.7
317.08121	0.5
335.09445	16.5
355.17307	7.8
355.21558	0.7
487.21426	100.0
488.21649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02043	3.1
55.05508	20.0
57.07067	9.1
59.04966	4.2
67.05498	29.6
69.03409	7.7
69.07066	26.2
71.04971	5.8
79.05477	35.6
81.07033	77.3
83.04976	16.2
83.08604	15.0
91.05462	55.9
93.03150	4.0
93.07024	100.0
95.04952	22.8
95.08593	49.9
97.06488	9.2
105.07023	99.1
107.05017	4.2
107.08572	85.5
109.06517	20.7
109.10153	38.3
111.08098	6.3
117.07012	20.2
119.08576	68.9
121.06478	19.8
121.10125	39.0
123.08086	8.2
123.11687	7.7
129.07005	9.3
130.07735	4.3
131.08574	43.0
133.06325	4.7
133.10115	58.9
134.10541	4.3
135.08032	23.2
135.11693	28.6
142.07806	7.5
143.08572	35.3
145.10110	69.2
147.08011	9.0
147.11652	36.0
149.09567	5.9
149.13219	7.7
151.07404	4.5
157.10172	37.0
159.07965	5.0
159.11617	30.4
161.09543	23.9
161.13237	16.8
169.10130	4.1
171.11682	6.8
173.13226	17.8
175.10991	37.6
175.14806	16.8
177.09055	4.8
177.12843	4.4
187.14922	6.7
189.08879	5.5
189.16379	4.7
191.14359	4.4
193.12041	5.5
193.15883	14.9
197.13263	17.6
199.14774	33.6
201.16403	30.3
202.16794	4.4
203.10400	82.6
203.14316	4.3
203.17975	8.8
211.14844	14.1
215.14262	8.3
217.15907	28.7
217.19449	4.5
219.17378	25.9
232.10658	5.2
233.15297	7.9
235.13034	14.1
235.16902	17.5
245.15083	37.4
275.16125	7.1
316.88605	4.0
354.10916	4.6
395.63699	3.8
413.26471	4.4
421.30850	8.4
427.27695	4.6
433.31308	5.9
435.31961	4.7
441.29526	15.6
451.31882	21.9
469.32745	17.2
487.28104	16.4
487.35516	44.0
509.90573	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	484.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05508	3.8
57.03424	0.5
57.07063	1.8
58.58427	0.4
59.05009	0.7
61.59272	0.4
65.03944	0.4
67.05492	29.6
69.07056	13.4
70.06561	0.6
71.04977	6.0
79.05466	4.5
81.06591	0.8
81.07040	14.1
83.04959	0.9
83.08598	0.9
88.07620	0.7
90.91117	0.4
91.05455	4.6
93.07017	9.2
94.07359	0.6
95.04951	1.8
95.08598	4.2
99.04465	0.5
102.09138	0.6
102.23558	0.4
105.07011	6.2
107.08585	7.6
109.06490	1.0
109.10143	100.0
111.08093	0.6
111.11745	0.4
117.06982	1.9
119.08561	4.5
121.06499	1.8
121.10117	2.7
123.08072	0.7
123.11687	0.5
125.09698	0.4
127.11172	9.3
128.21295	0.4
129.07019	0.5
131.08545	3.2
131.15172	0.4
133.10149	2.9
135.08031	0.9
135.11684	3.8
143.08574	1.6
145.10112	2.4
147.08023	0.7
147.11649	1.0
149.09647	0.9
151.07422	0.4
151.11180	0.9
157.10136	0.6
159.08040	1.9
159.11681	2.7
163.11076	0.6
170.10913	0.4
171.11583	0.9
173.09601	0.6
173.13222	1.0
175.14792	0.8
177.12653	1.0
185.09573	0.5
187.11191	0.6
197.15361	2.2
199.11186	1.9
211.11197	1.0
215.14363	0.6
219.17430	0.4
223.11168	0.6
225.09109	0.5
227.10664	0.8
228.23239	0.7
234.16183	0.4
237.12759	0.6
247.11136	0.9
261.12723	0.6
262.13498	0.8
263.14365	1.9
267.13800	0.9
272.20151	0.4
275.14145	0.6
281.15552	0.9
283.26279	1.0
285.18503	5.9
289.15833	0.7
303.17429	0.6
305.18909	3.1
311.29263	0.5
311.59863	0.4
315.17386	0.6
323.20126	2.0
331.20483	0.7
333.21857	0.7
335.19949	3.6
349.21619	2.6
371.23730	0.8
375.23148	3.9
389.28299	2.5
413.28247	3.7
431.29382	15.4
449.30563	8.8
467.31436	1.9
484.47302	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	484.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.7
55.05507	5.0
55.78176	0.7
57.03436	0.9
57.07068	5.5
59.04985	1.4
67.05143	1.0
67.05492	28.8
69.07056	16.4
70.06568	1.5
71.00433	0.7
71.04974	6.9
71.08567	0.7
79.05485	7.6
81.03392	0.7
81.06599	1.0
81.07040	20.4
83.05000	2.3
83.08587	1.1
85.06549	1.6
88.07604	2.8
91.05456	9.9
93.07017	16.2
94.07388	0.8
95.04943	4.7
95.08590	9.6
97.06497	1.5
102.09140	1.1
103.05418	0.9
105.07014	12.8
106.07333	0.9
107.08591	13.7
109.06509	4.9
109.10143	100.0
111.08051	0.8
117.07017	3.9
119.08558	9.4
120.47579	0.8
121.06462	3.5
121.10142	6.4
123.07980	1.1
123.11707	1.5
127.11163	10.4
129.07043	1.1
131.04904	2.9
131.08516	7.9
132.08839	0.7
133.10130	4.8
135.08014	3.4
135.11713	5.9
143.08537	3.0
145.10097	7.2
146.10452	0.8
147.08015	1.6
147.11671	3.0
149.09613	1.1
149.13232	1.1
151.11142	2.6
153.12773	0.9
156.09349	1.1
157.10040	1.7
159.08040	4.0
159.11681	3.7
161.09615	1.1
161.13196	1.5
163.11134	0.9
171.11720	1.1
173.09578	1.3
173.13177	4.9
175.14830	1.5
181.15840	0.8
197.09688	0.6
199.11163	1.5
199.14783	1.5
200.20125	1.0
201.16406	0.9
210.65016	0.8
215.14444	0.9
219.17451	0.8
221.18782	0.7
227.10646	1.6
228.23184	2.7
235.16966	0.9
237.12505	0.7
239.10567	1.0
263.14246	0.9
267.13837	0.9
273.99084	0.7
283.26212	3.7
285.18478	9.8
289.15741	0.9
296.40244	1.0
305.18982	2.7
311.29276	2.9
323.20038	1.5
335.19980	2.7
349.21536	1.1
375.23074	4.2
389.28302	4.0
407.29251	5.6
413.28214	1.4
431.29404	14.2
449.30594	10.2
484.34747	1.1
484.47156	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	484.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93409	0.4
55.05509	0.7
57.07062	2.7
67.05492	1.0
67.26580	0.4
68.17628	0.5
69.07045	1.1
71.08612	5.3
79.05466	0.8
81.07047	0.9
82.34544	0.5
87.87067	0.4
89.05978	0.6
91.05453	1.9
93.07017	2.4
105.07030	6.9
107.08580	1.1
109.10167	3.8
114.21095	0.4
114.23734	0.5
114.36814	0.4
115.05506	0.5
117.07008	2.5
119.08565	2.2
119.38045	0.4
120.92592	0.5
121.06471	5.6
121.10139	0.6
123.33350	0.4
128.06180	0.6
130.07794	0.8
131.08569	9.7
133.06494	0.6
133.08559	0.5
133.10092	2.6
135.08029	0.8
135.11731	0.6
142.07809	0.6
143.08542	2.2
144.09319	0.6
145.10117	100.0
147.08047	0.7
157.10069	0.8
159.07997	0.7
159.11682	15.1
161.09579	4.5
164.11887	0.5
173.09601	0.6
175.11172	2.5
201.16370	45.2
215.14146	0.7
305.54227	0.5
311.29599	0.6
363.32486	0.5
483.34979	0.5
484.47092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.5
53.03945	0.6
55.01866	3.0
55.05502	1.7
57.03432	6.9
57.07074	3.7
59.05002	0.7
61.02921	3.3
67.05492	6.1
69.03070	0.5
69.03418	9.5
69.07057	4.7
71.01309	0.3
71.04977	0.7
73.02905	9.4
79.05471	6.1
81.03421	0.8
81.07043	100.0
83.08585	0.4
85.02894	27.0
87.04443	0.9
89.16930	0.3
91.03938	0.9
91.05472	0.5
93.07024	2.1
95.05032	0.4
95.08589	43.3
97.02874	14.3
98.45269	0.4
99.04423	0.5
103.03934	0.5
105.06979	0.5
107.08581	1.4
109.02874	2.3
109.10145	2.1
111.11736	0.7
115.03918	6.4
127.03896	6.3
133.04950	9.2
135.11679	0.8
137.13242	42.5
141.05530	0.4
145.04953	7.5
153.01863	0.7
155.14284	3.4
161.05927	0.9
163.05992	5.4
203.07083	0.7
223.06023	0.6
241.07066	0.9
259.08133	2.4
260.44168	0.4
277.08997	0.5
295.10214	3.1
305.06488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.7
55.05507	5.0
55.78176	0.7
57.03436	0.9
57.07068	5.5
59.04985	1.4
67.05143	1.0
67.05492	28.8
69.07056	16.4
70.06568	1.5
71.00433	0.7
71.04974	6.9
71.08567	0.7
79.05485	7.6
81.03392	0.7
81.06599	1.0
81.07040	20.4
83.05000	2.3
83.08587	1.1
85.06549	1.6
88.07604	2.8
91.05456	9.9
93.07017	16.2
94.07388	0.8
95.04943	4.7
95.08590	9.6
97.06497	1.5
102.09140	1.1
103.05418	0.9
105.07014	12.8
106.07333	0.9
107.08591	13.7
109.06509	4.9
109.10143	100.0
111.08051	0.8
117.07017	3.9
119.08558	9.4
120.47579	0.8
121.06462	3.5
121.10142	6.4
123.07980	1.1
123.11707	1.5
127.11163	10.4
129.07043	1.1
131.04904	2.9
131.08516	7.9
132.08839	0.7
133.10130	4.8
135.08014	3.4
135.11713	5.9
143.08537	3.0
145.10097	7.2
146.10452	0.8
147.08015	1.6
147.11671	3.0
149.09613	1.1
149.13232	1.1
151.11142	2.6
153.12773	0.9
156.09349	1.1
157.10040	1.7
159.08040	4.0
159.11681	3.7
161.09615	1.1
161.13196	1.5
163.11134	0.9
171.11720	1.1
173.09578	1.3
173.13177	4.9
175.14830	1.5
181.15840	0.8
197.09688	0.6
199.11163	1.5
199.14783	1.5
200.20125	1.0
201.16406	0.9
210.65016	0.8
215.14444	0.9
219.17451	0.8
221.18782	0.7
227.10646	1.6
228.23184	2.7
235.16966	0.9
237.12505	0.7
239.10567	1.0
263.14246	0.9
267.13837	0.9
273.99084	0.7
283.26212	3.7
285.18478	9.8
289.15741	0.9
296.40244	1.0
305.18982	2.7
311.29276	2.9
323.20038	1.5
335.19980	2.7
349.21536	1.1
375.23074	4.2
389.28302	4.0
407.29251	5.6
413.28214	1.4
431.29404	14.2
449.30594	10.2
484.34747	1.1
484.47156	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	484.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01860	0.9
57.03419	2.6
57.56287	0.4
58.53756	0.4
59.04964	0.6
61.02907	3.8
65.03932	0.7
67.01865	0.8
67.05492	1.7
67.32420	0.4
68.99768	1.8
69.03422	7.4
69.56342	0.4
71.04961	1.1
73.02882	1.1
81.03389	3.4
81.07030	3.2
85.02892	22.3
87.04433	0.7
91.05447	0.9
93.07014	0.5
95.04936	2.4
95.08584	0.9
97.02869	8.6
99.04424	0.7
102.83746	0.4
105.07009	0.6
109.02853	1.0
109.10104	0.5
111.04422	5.8
121.02856	6.2
123.04404	57.2
127.03902	4.1
133.02812	2.3
135.04410	3.4
137.02289	0.9
137.13229	0.8
139.03857	5.0
145.04938	2.9
147.04420	0.9
149.02319	79.1
150.03079	2.5
151.03856	4.3
153.01805	93.0
155.10703	0.5
157.06479	2.9
161.02290	7.3
167.03371	15.9
175.03966	0.6
175.07506	2.2
179.03323	1.9
185.05963	6.7
189.05545	0.7
195.02853	19.3
203.03407	2.0
213.05441	11.9
217.04903	0.7
231.06474	68.8
241.04915	6.8
258.05255	1.8
259.05954	50.7
287.05469	17.0
305.06494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.05505	12.0
57.03437	3.5
57.07065	6.0
60.12071	2.8
60.32137	2.5
67.05486	18.2
69.07050	17.7
71.04969	4.9
71.06032	2.5
77.06326	2.9
79.05474	26.3
81.07039	47.0
83.04949	2.5
83.08611	4.5
84.84738	2.6
87.04450	3.4
89.06007	73.4
91.05449	21.1
92.08623	5.4
93.07029	85.4
95.04965	14.5
95.08592	39.4
105.07024	70.4
107.08578	82.1
108.09361	12.5
109.06507	5.3
109.10143	41.8
117.06995	4.0
119.08566	61.2
121.06474	4.3
121.10131	31.7
123.08089	5.1
123.11685	17.4
131.08530	17.6
133.08585	26.7
133.10097	48.2
134.10886	7.0
135.08086	5.9
135.11665	66.4
136.12511	4.6
145.10112	22.1
147.11667	59.4
149.13248	71.9
149.14357	4.5
150.14008	5.4
157.10077	3.2
159.11681	14.9
161.09554	4.0
161.13235	15.9
165.12715	11.1
169.51715	3.3
175.11107	5.2
175.14798	6.5
176.11935	5.6
176.15512	7.1
177.11244	5.8
177.12692	65.4
177.16418	4.0
178.17125	16.1
190.17110	3.1
191.17972	4.4
193.12259	25.0
201.16309	5.0
203.17934	100.0
210.43127	2.8
219.17325	11.4
220.18214	41.5
237.18509	17.6
241.09766	3.0
283.17502	41.2
339.58865	3.2
345.02017	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
54.26477	1.5
54.55436	1.4
55.01856	4.8
55.05508	21.3
57.03431	3.1
57.07074	2.8
67.05485	27.6
69.03408	13.4
69.07050	20.2
71.04990	15.4
73.88384	1.7
79.05045	3.4
79.05476	55.1
79.13454	1.9
79.98334	1.8
80.05829	2.4
81.07040	71.7
82.07352	4.6
83.04968	22.4
83.08610	9.7
85.02856	3.1
85.06531	8.8
85.09053	1.8
91.05455	49.9
92.05807	2.8
92.08705	2.3
93.07026	57.8
94.07300	2.8
95.04946	35.9
95.08585	38.4
97.06506	12.4
97.10144	3.0
99.04430	3.5
99.08019	2.5
103.05444	4.6
105.03369	3.4
105.04563	2.6
105.07009	76.3
106.07320	3.9
107.04938	8.4
107.08578	100.0
108.08921	14.3
109.06499	27.6
109.10139	16.6
111.04413	9.8
111.08045	2.8
115.05415	4.8
116.06217	2.1
117.06995	23.3
119.08567	50.0
120.08883	2.4
121.06474	23.3
121.10099	20.7
123.08045	11.7
123.11682	4.5
125.05965	3.3
125.09603	18.3
128.06181	10.2
129.06982	21.1
130.07739	2.0
131.04848	3.1
131.08553	49.4
132.08847	3.5
133.06464	9.2
133.10110	36.4
135.08028	12.1
135.11642	12.5
137.05911	2.9
137.09541	2.3
138.94069	2.0
139.07578	1.8
141.06972	4.6
141.34445	2.0
142.07784	13.6
143.08524	35.9
144.09273	2.7
145.06470	9.4
145.10091	48.6
146.10562	3.0
147.08055	15.3
147.11667	18.1
149.09596	11.6
149.13268	4.5
149.20824	2.1
151.07373	2.2
151.11153	3.4
154.07643	2.2
155.08568	14.4
156.09276	3.6
157.10139	29.1
159.08029	11.3
159.11673	22.7
160.11845	1.9
161.09555	13.5
161.13197	7.8
163.11151	8.0
165.06984	3.3
169.10110	12.8
170.10907	2.9
171.08069	3.7
171.11644	15.0
173.09572	8.3
173.13210	10.5
175.11142	10.3
175.14729	2.3
177.09134	2.5
177.12642	2.8
179.08681	5.8
179.10602	4.1
181.10117	4.0
182.10867	2.5
183.11703	4.5
185.09579	7.7
185.13226	7.9
187.11079	4.1
187.14795	4.2
189.12688	7.6
191.10580	2.9
191.14343	4.1
194.10858	2.2
195.11639	7.3
197.13272	11.1
199.14796	9.5
201.12593	4.6
201.16373	8.6
211.14760	4.4
213.12755	7.9
215.14290	10.7
217.15871	3.1
219.17413	10.5
220.17793	2.4
221.13316	2.7
221.78061	2.2
227.14253	4.4
229.15804	2.6
231.13805	3.8
233.15361	3.8
245.15247	2.9
247.16711	2.6
291.61761	2.3
347.07690	2.2
379.75076	2.0
429.27969	2.2
447.28802	9.4
459.73758	2.1
465.29709	26.1
483.31812	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	482.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01857	1.5
55.05505	17.0
56.50748	1.4
57.07066	7.1
59.05002	2.1
62.18327	1.5
65.03938	1.7
67.05493	24.0
69.03406	10.2
69.07054	21.7
71.04973	20.6
79.05476	31.0
81.03426	1.7
81.07044	45.4
83.04974	2.6
83.08627	3.4
85.06532	4.1
89.06013	10.3
91.05460	43.3
93.07025	85.7
94.07819	10.8
95.04952	24.4
95.08587	47.9
97.06498	16.9
99.04436	16.7
103.05431	3.0
105.07018	68.8
106.07855	2.9
107.08577	70.3
109.06509	24.0
109.10148	25.0
111.08075	4.2
117.07006	9.2
119.06051	2.5
119.08567	43.4
119.25730	1.9
121.06476	13.4
121.10110	32.7
123.08060	13.2
123.11735	3.3
124.08837	2.5
125.05972	2.9
125.09695	2.3
131.08531	13.8
133.06404	2.9
133.08572	3.1
133.10139	16.4
134.07259	2.3
135.08060	4.0
135.11684	71.6
137.05954	31.7
137.09618	10.5
137.13191	6.2
142.07808	2.8
143.08571	3.9
145.10100	24.8
147.08055	1.8
147.11671	17.2
149.09653	10.6
149.13326	2.1
151.11177	9.4
152.08299	16.8
153.12730	22.5
157.10062	2.8
159.11687	3.0
161.13240	14.1
163.11154	9.3
165.12732	3.2
173.13200	2.6
175.11194	4.2
175.14888	2.7
179.10634	3.1
179.14267	14.2
181.12201	25.9
189.12816	1.8
192.11365	2.2
197.15341	100.0
201.16428	2.9
207.13795	10.5
217.15883	2.2
219.17377	2.8
275.16220	1.9
283.17328	4.0
342.06140	1.6
351.20340	1.7
365.24457	1.8
444.00278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03557	0.5
53.03934	1.3
54.81625	0.6
55.01864	1.4
55.05502	8.5
57.03409	0.7
57.07067	6.5
59.04982	2.5
65.03909	0.7
67.05489	14.2
69.06709	0.8
69.07053	12.5
71.04971	6.2
71.08607	4.1
79.05473	16.2
81.07034	34.6
83.04970	3.0
83.08592	3.8
85.06530	6.0
85.10149	2.7
87.04472	2.5
89.06009	100.0
91.05456	19.5
93.07019	68.8
94.07809	3.0
95.04946	31.3
95.08002	1.3
95.08579	24.5
97.06506	5.4
97.10127	0.6
99.04396	0.8
99.08058	0.8
101.05983	2.6
105.04527	0.7
105.07008	37.2
107.07050	4.2
107.08574	54.3
108.09377	1.0
109.06499	10.4
109.09384	1.3
109.10138	40.1
111.08040	10.5
113.09620	1.5
115.82286	0.7
117.06998	3.9
119.08556	30.7
119.09386	1.2
120.09379	0.5
121.06471	1.0
121.10116	25.8
122.10915	0.8
123.08046	8.9
123.11679	7.2
124.08771	0.7
125.09602	4.5
127.11160	12.4
129.07014	0.9
131.08519	8.1
133.07578	1.5
133.08578	36.1
133.10109	19.3
135.11662	78.4
136.11964	1.5
137.09589	5.5
137.13229	1.3
139.11122	1.2
143.08513	0.9
144.09326	0.9
145.10101	22.9
147.11646	7.1
149.09581	1.4
149.13234	4.3
151.09984	0.8
151.11150	7.2
152.11867	1.2
157.10138	1.3
159.11665	24.8
161.09659	0.9
161.13217	42.4
163.11166	3.3
173.13235	5.6
175.11209	1.0
175.14758	7.5
177.11220	12.9
177.12746	2.7
177.16341	6.0
179.14325	3.9
189.16319	1.4
191.17845	5.4
192.18643	0.7
193.15842	2.7
193.65300	0.6
195.12193	2.3
195.13824	2.8
197.15332	1.5
201.16319	22.8
203.17905	4.4
208.18156	3.0
217.15932	0.8
219.17398	28.0
220.17986	0.7
235.16835	2.9
237.18466	22.4
239.14844	1.4
239.32939	0.6
283.17441	60.9
465.37143	0.9
482.33813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14266	0.7
53.00297	0.9
54.82103	0.9
55.01870	1.0
55.05500	5.6
56.68407	0.7
57.03426	0.7
57.07056	3.5
58.44416	0.7
59.04985	3.5
60.41703	0.7
62.76135	0.7
66.90989	0.7
67.05491	10.1
69.07051	13.5
71.04983	3.3
71.75040	0.8
79.05474	10.0
81.07039	29.6
83.08607	4.7
86.62154	0.9
89.06007	16.3
89.91035	0.9
91.05447	14.0
93.06409	1.2
93.07021	70.9
95.04943	83.2
95.08582	19.0
97.06515	1.2
103.05412	0.9
105.07010	32.0
107.08576	54.6
108.09373	1.1
109.06484	13.3
109.10140	12.4
111.08057	1.1
112.62389	0.9
113.05979	0.8
117.06992	2.0
119.08553	32.8
121.06454	1.6
121.10117	14.2
123.08019	5.8
123.11665	10.7
131.08521	5.9
133.08549	5.1
133.10104	21.4
134.10883	1.5
135.08038	3.7
135.11664	100.0
136.08679	1.1
137.09583	1.3
137.13210	0.8
142.07765	1.0
145.10103	16.2
147.11694	10.5
149.09538	1.3
149.13237	12.8
150.13875	0.9
151.11137	16.4
152.66858	0.9
157.10115	1.7
159.08089	3.4
159.11652	13.8
161.13255	9.0
165.12901	1.0
173.13208	3.5
175.11229	1.3
175.14777	34.4
177.11240	1.9
177.12718	7.3
177.16362	5.5
178.17076	1.5
179.14243	1.8
189.16322	6.8
191.17903	13.4
193.12202	4.3
193.15878	9.9
195.13751	1.7
201.16322	15.9
203.18015	4.0
211.13353	1.1
219.17375	15.7
220.18208	3.5
237.18445	34.2
283.17419	12.3
287.35263	1.1
384.02621	0.8
481.36429	1.7
482.37488	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	482.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40930	0.7
53.03930	4.5
55.01860	4.0
55.05500	14.0
57.03422	6.5
57.07058	4.3
59.04992	1.5
60.13506	0.7
65.03923	1.0
67.05491	17.0
69.03413	8.5
69.07051	10.0
71.01311	1.2
71.04977	9.7
79.05466	35.9
81.03406	1.1
81.07035	100.0
83.04967	11.1
83.08598	2.3
85.02887	1.6
85.06521	11.7
91.05450	34.5
93.07015	49.4
95.04943	17.6
95.08578	15.8
97.02868	7.5
97.06496	8.9
97.10111	1.0
99.04440	4.5
101.06000	5.5
103.05452	3.7
105.07008	60.0
107.04993	3.2
107.08572	51.5
108.15125	1.2
109.06505	14.6
109.10134	11.3
109.59705	1.0
111.04429	19.5
111.08036	1.5
115.05431	1.8
117.07018	8.5
119.08546	26.2
121.06473	9.1
121.10124	11.2
123.04391	5.0
123.08028	10.7
123.11668	6.9
125.05953	1.2
125.09573	1.3
128.06172	6.7
129.06976	2.3
131.04872	1.5
131.08542	17.2
133.06441	4.2
133.10101	43.6
135.08047	10.1
135.11685	13.0
137.05914	2.0
137.09572	2.3
139.07410	1.2
142.07762	1.7
143.08525	14.6
144.09375	1.0
145.10085	10.2
146.07243	7.0
147.07982	2.2
147.11664	5.4
149.09613	4.7
149.13248	4.1
151.07492	1.2
151.11136	11.2
156.09155	0.9
157.10109	6.1
158.26849	1.0
159.08028	4.3
159.11659	12.6
160.75113	0.9
161.08205	2.0
161.09578	42.5
161.13243	3.7
163.11127	2.1
171.11612	1.6
173.09329	1.0
173.13196	1.6
175.11150	1.2
175.14835	1.5
177.12747	4.0
179.10631	57.6
187.17387	1.1
191.17844	1.9
193.12273	1.4
195.13722	9.5
197.15314	1.8
199.14868	4.2
201.16330	3.7
215.14128	1.0
219.17368	4.4
235.16953	1.4
358.16473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
53.54596	0.6
55.01859	3.4
55.05503	1.2
55.52861	0.6
57.03429	9.2
59.04981	3.3
61.02900	3.7
69.03407	12.3
69.07039	3.6
71.01347	1.3
71.04616	1.1
71.04978	24.1
73.02906	10.6
73.06533	5.4
77.22164	0.7
79.05451	5.3
81.03382	1.4
81.07037	25.7
83.08566	0.8
85.02885	27.5
86.43616	0.7
87.04401	1.1
91.03865	0.8
91.05475	1.4
93.07015	18.7
95.08600	2.7
97.02869	15.5
97.06500	2.7
107.08566	18.1
109.02864	1.9
109.10134	3.6
115.03914	5.8
127.03864	6.1
128.43552	0.8
133.04915	5.7
135.11671	31.1
145.04990	5.4
153.12721	100.0
163.06013	1.4
171.13754	1.8
190.61398	0.8
246.18654	0.8
259.08133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81208	0.8
55.01867	3.8
55.05526	1.3
55.50605	0.8
57.03434	9.3
58.56086	0.7
59.04980	2.2
61.02909	3.5
61.70849	0.8
67.05497	0.9
69.03416	14.3
69.07048	4.0
71.01344	1.8
71.04978	25.6
73.02891	11.4
73.06540	4.7
79.05484	5.8
81.07044	27.1
85.02890	30.9
90.40780	1.0
91.05467	1.4
93.07029	17.9
95.08585	3.5
97.02880	19.6
97.03514	1.4
103.03964	1.0
105.07004	1.1
107.08579	16.5
109.02873	3.6
109.10138	1.8
115.03915	6.8
127.03866	6.6
133.04967	8.3
135.11682	28.5
139.12248	1.0
145.04958	4.9
153.12727	100.0
163.06061	2.2
171.13818	1.1
199.91040	0.9
241.06921	1.0
259.08041	1.5
264.85117	1.0
268.58832	0.8
358.70908	1.0
422.02606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41302	0.3
53.03922	0.7
53.38093	0.3
55.01846	0.8
55.05494	1.7
57.03421	2.6
61.02921	3.6
67.05495	0.6
69.03419	7.2
69.07040	0.7
69.36402	0.3
71.04967	0.6
73.02882	0.8
79.05454	1.3
79.81843	0.3
81.03392	2.5
81.07045	4.4
83.08598	1.4
85.02897	32.4
87.04505	0.4
91.03928	0.7
91.05449	1.6
93.07022	1.4
95.04958	0.6
95.08591	1.7
97.02882	7.1
97.10162	4.3
99.04443	1.7
105.07008	1.9
107.04950	2.5
107.08564	0.7
109.02897	2.6
109.10154	0.5
111.08067	0.4
111.11630	0.5
117.06982	0.4
119.08552	1.7
121.06466	1.5
123.11685	3.6
127.03920	3.8
131.08539	1.8
133.06473	10.3
133.10071	0.5
136.83591	0.4
141.44153	0.4
145.04955	3.1
145.06487	0.7
147.08032	13.7
149.09607	100.0
150.09929	0.6
157.07632	0.7
159.08060	2.0
161.09596	3.3
163.11179	3.4
167.14246	0.9
173.09546	0.6
175.11159	10.5
180.08519	1.3
186.67131	0.5
187.11150	1.4
189.12724	24.2
201.12741	2.9
203.14313	4.8
215.14311	0.4
243.17320	1.4
261.18478	0.4
285.18915	0.6
285.22098	16.7
303.23154	10.9
472.48325	0.5
482.31747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19127	0.8
52.92020	0.8
53.03937	1.1
54.81793	0.9
55.01866	1.5
55.05496	1.9
57.03429	10.8
57.07064	0.9
59.04984	4.1
60.58297	0.9
61.02905	4.0
62.93258	0.8
64.58938	0.9
67.05488	5.0
69.03067	1.5
69.03414	23.6
69.07047	8.2
71.04605	1.6
71.04972	23.3
73.02903	16.3
73.06532	6.4
79.05486	7.5
81.03403	7.2
81.06600	1.6
81.07043	32.0
83.08576	1.1
85.02890	30.6
87.04443	6.7
90.96310	1.0
91.05452	4.8
92.64451	0.9
93.07027	27.1
95.04940	1.9
95.08569	10.3
97.02870	20.9
97.06490	1.7
105.07005	5.2
107.08570	26.3
109.02847	2.1
109.06504	1.8
109.10135	5.1
115.00636	1.0
115.03913	13.7
119.08566	2.0
123.19316	0.9
127.03913	7.2
129.06946	1.0
133.04935	10.4
133.10083	1.3
135.11662	39.5
137.05956	1.7
145.04968	4.4
147.11604	1.6
153.12720	100.0
157.10078	1.0
159.67781	0.9
163.06013	1.4
171.13760	4.4
193.12206	2.1
211.13271	5.6
259.08105	1.6
266.02170	1.1
285.16589	3.4
295.10104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01870	11.0
55.05501	3.9
57.03429	18.6
57.07062	4.8
59.04992	27.4
61.02913	7.8
65.03903	1.0
67.05495	6.3
69.03065	1.5
69.03415	27.4
69.07053	29.0
71.01334	3.2
71.04984	3.5
73.02905	19.1
79.05460	3.8
81.03394	4.5
81.07041	10.7
83.04948	1.7
83.08611	6.3
85.02890	75.8
87.04454	3.6
91.03906	1.2
91.05459	4.6
93.07027	17.5
95.04933	1.5
95.08583	65.1
97.02867	32.3
97.06496	4.4
99.04423	5.7
101.05956	0.8
103.03925	1.4
105.07012	5.1
107.04881	1.6
107.08569	20.0
109.02848	6.1
109.06503	1.6
109.10138	12.5
111.04421	0.8
111.08087	0.8
115.03913	12.2
117.06939	0.8
119.04933	1.7
119.08570	4.7
121.06455	0.9
123.08077	3.2
125.05904	1.6
125.13254	7.1
127.03890	19.3
133.04942	14.3
133.06474	0.9
133.10121	3.6
134.60881	0.7
135.08078	1.7
135.11674	48.4
136.81090	0.7
137.09601	1.2
141.09068	0.8
142.07779	1.5
143.08592	1.3
145.04944	15.7
147.04361	5.8
147.07990	1.1
147.11670	3.3
149.09544	0.9
153.12721	100.0
155.10922	0.9
157.08635	1.5
157.10085	3.3
159.11674	1.0
161.09622	1.3
163.05998	5.6
163.11177	0.9
165.12814	3.1
167.06987	1.9
171.13751	7.0
175.11147	4.6
185.09576	1.2
189.08990	1.6
193.12247	4.2
197.11601	1.1
203.10631	1.4
209.11746	4.1
211.13290	4.6
221.11751	1.5
239.12743	19.7
241.07057	1.5
259.08130	5.4
261.14734	1.0
267.12091	1.7
285.13351	8.6
295.10184	1.9
315.17984	1.6
343.05865	0.9
370.54990	0.9
371.66327	0.8
473.21408	0.9
482.18378	0.9
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
55.01862	7.6
55.05500	1.1
57.03429	14.5
57.07069	1.3
59.04998	1.7
61.02925	6.9
65.30992	0.6
66.01038	0.6
67.05488	3.3
67.64033	0.6
69.03414	21.0
69.07061	9.8
70.58310	0.6
71.01343	1.7
71.04973	1.5
73.02899	23.1
79.05477	23.3
79.38817	0.8
81.03410	4.7
81.07039	8.2
83.04963	1.2
83.08614	2.9
85.02890	50.6
87.04461	4.1
91.03944	1.3
91.05457	6.9
92.09321	0.7
93.07019	53.9
95.04971	1.7
95.08592	10.9
97.02870	25.2
97.06508	17.1
98.97575	0.9
99.04420	1.7
103.03904	1.6
105.07021	3.3
107.06609	0.8
107.08576	46.6
109.02871	4.4
109.06493	0.9
109.10150	17.4
110.10487	3.0
111.08086	1.1
115.03915	9.8
119.08552	1.6
120.09364	0.7
121.10146	0.7
123.11761	1.2
123.35695	0.7
127.03906	10.3
131.08502	0.8
133.04947	10.6
133.10106	1.4
135.11670	100.0
137.05940	0.9
137.13283	0.9
145.04947	10.4
147.11682	1.0
151.11159	3.5
152.11491	1.4
153.12715	42.7
163.06021	4.0
169.12219	1.4
171.13771	24.3
189.09183	0.8
223.05989	0.8
259.08182	2.8
261.14792	1.0
267.15933	1.2
274.89279	0.7
279.83777	0.7
291.54828	0.8
295.10211	1.4
297.16571	1.1
374.67194	0.7
429.57379	0.7
468.46506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58755	1.1
52.80462	1.1
53.03929	1.8
55.01862	11.9
55.05497	2.1
56.24195	1.2
56.96552	7.5
57.03418	5.7
61.02892	2.1
65.03933	1.7
67.05477	6.9
69.03407	9.5
69.07059	12.1
71.04974	11.3
73.02877	2.4
74.29764	1.3
79.05473	66.4
81.03386	1.6
81.07039	42.6
83.04960	7.7
84.96040	2.8
85.02882	17.3
87.04430	1.6
90.19862	1.5
91.05452	8.7
93.07021	8.0
95.04935	15.7
95.08571	6.0
97.02863	9.4
97.06513	32.3
98.97552	10.0
99.04430	15.2
105.07014	14.1
107.04932	42.5
107.08581	7.6
109.02824	2.4
109.06487	18.1
110.97565	2.2
111.04423	18.5
111.08085	2.6
113.05983	2.1
114.56496	1.5
116.98594	7.8
119.04959	2.3
119.08521	3.6
120.08057	2.4
121.02834	1.9
121.06475	8.2
123.04391	30.7
123.08061	5.8
125.05963	27.8
127.03831	2.8
128.98570	3.2
129.07014	1.5
131.08492	1.6
133.06444	2.3
133.10080	6.7
134.99693	2.4
135.04402	38.3
137.05949	22.4
138.80585	1.6
139.03877	100.0
140.04218	5.8
141.05482	3.3
142.07761	1.6
143.07002	2.3
143.08556	6.0
145.10124	5.7
146.99606	8.3
147.04376	6.3
147.08020	12.6
149.02335	19.4
149.05975	7.9
151.03871	5.7
151.07521	6.9
153.01823	27.1
153.05426	7.1
153.09068	3.4
157.08633	3.4
157.10112	10.8
159.06483	11.1
159.07701	1.5
159.11664	1.8
161.01207	2.2
161.06007	2.2
161.09621	11.1
165.05370	2.2
167.03409	2.7
167.07001	87.4
167.08417	3.5
169.08580	21.1
171.08023	2.8
175.11205	2.3
179.10663	2.9
181.08551	1.6
185.09608	9.5
189.00517	1.8
189.09059	12.3
195.02939	2.8
201.05643	3.0
203.10641	9.3
207.10173	13.4
210.06490	3.6
211.09642	13.0
213.09024	8.7
219.01758	8.0
221.11687	7.1
229.04845	7.2
231.10130	8.1
237.02721	22.9
239.05685	2.6
239.12733	3.2
242.04570	2.7
247.05954	10.6
249.11169	26.8
257.04471	2.8
257.06888	3.5
261.06979	2.1
267.12216	54.0
271.06125	2.4
275.05536	11.7
285.13098	2.7
291.08267	1.6
303.05127	3.1
303.14337	13.2
321.06021	13.0
383.09891	12.2
396.03159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88167	0.9
53.03938	2.0
53.20379	0.8
55.01632	1.1
55.01866	26.0
55.05505	22.5
56.05822	0.8
57.03428	48.2
57.07066	11.2
57.95364	1.0
59.04705	1.0
59.04985	8.8
60.04502	1.5
60.74149	0.9
61.02914	22.1
67.05492	20.4
69.03417	49.6
69.07053	86.2
69.18234	1.1
70.07378	5.2
71.01332	9.3
71.04956	6.3
71.08604	2.6
72.04488	2.2
73.02899	56.2
78.67324	1.1
79.05469	7.2
81.03392	9.4
81.07037	64.9
82.07357	6.8
83.01280	0.9
83.04947	1.3
83.08599	18.1
84.08941	1.3
85.02889	100.0
85.06527	7.1
87.04446	8.4
91.03923	2.3
91.05447	4.3
93.07024	20.0
94.07355	2.4
95.04949	1.6
95.08592	39.6
96.04500	1.1
96.08904	5.8
97.02263	2.1
97.02872	59.4
97.06513	9.3
97.10146	10.7
99.04430	1.9
99.08093	7.4
103.03923	5.5
103.06001	1.0
105.07007	2.0
107.04980	1.1
107.08573	15.6
108.08898	1.3
109.02882	7.2
109.06497	1.6
109.10144	30.2
110.10483	1.8
111.08035	2.3
111.11697	22.7
112.11993	1.4
113.09611	2.5
115.03904	28.4
121.10120	8.8
122.10431	1.1
123.11685	20.2
124.12004	6.8
125.13232	2.3
127.03883	17.9
127.11111	1.3
131.08557	1.4
132.06494	4.4
133.04950	34.7
135.11655	16.4
137.13234	5.0
139.11197	1.3
141.12660	1.5
144.06548	3.7
145.04950	23.4
147.11638	1.6
149.13237	6.6
150.07591	5.5
151.14801	1.2
153.12721	35.4
162.07567	1.8
163.05974	5.2
171.13768	39.6
177.16347	2.0
180.08604	1.7
190.97975	1.1
191.17970	1.2
203.78374	1.2
223.05988	1.9
223.16330	1.0
241.07043	2.4
247.24156	1.6
248.24471	1.6
249.14671	2.1
259.08060	2.2
265.25180	6.8
266.25470	4.0
267.15872	1.0
283.26245	22.8
284.26611	10.1
319.28378	2.2
362.09415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06004	0.7
57.48718	0.7
57.95230	0.6
81.06999	0.7
93.07026	1.0
105.06996	0.9
107.04735	0.9
114.27116	0.7
124.59522	0.6
155.14699	0.8
261.14658	3.5
261.18253	16.5
261.20834	1.1
481.36475	100.0
482.36237	0.9
507.84091	1.0
509.35971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24944	0.4
56.48830	0.4
59.64056	0.4
66.25655	0.3
93.07018	0.6
93.33861	0.5
105.83183	0.4
119.08586	0.5
167.34229	0.4
205.00557	0.4
213.44156	0.4
225.47475	0.5
261.18243	4.0
463.35767	0.7
481.36447	100.0
482.36594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86349	0.3
53.14468	0.3
55.01858	0.2
55.85463	0.2
59.23779	0.2
63.23522	0.2
65.43517	0.3
67.33704	0.3
74.09715	0.3
75.31005	0.3
79.05464	0.4
81.07034	0.6
91.05488	0.5
93.07036	0.8
95.08572	0.4
103.01760	0.3
105.07026	0.4
107.04699	0.4
107.08583	0.3
114.44506	0.3
119.08620	0.4
121.10110	0.5
123.12695	0.3
133.10159	0.5
135.11739	0.4
230.59050	0.3
259.16745	0.7
261.18210	12.7
364.86658	0.3
383.25388	0.4
396.31873	0.4
481.36502	100.0
482.36697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.6
61.02912	3.2
67.05507	1.5
69.03419	2.4
72.82082	1.5
73.02909	1.8
85.02900	6.6
93.07079	1.4
97.02874	2.8
105.03310	1.5
105.07046	2.3
109.02880	2.8
113.04208	1.8
113.06145	1.7
118.13061	1.8
119.04901	2.2
123.04410	100.0
135.04378	5.9
137.02324	9.7
139.03897	17.4
141.01823	1.8
147.04382	10.0
149.02325	7.6
151.03867	10.7
163.03883	8.7
165.01813	46.6
165.05486	5.5
167.07071	2.1
177.01845	13.5
177.05490	9.2
179.03345	13.3
183.02855	37.7
183.04454	1.9
186.53760	1.9
191.03432	8.8
193.05025	2.4
205.01344	10.3
205.05000	11.6
207.02867	8.6
215.03560	3.1
221.04456	7.4
223.02362	23.8
233.04385	21.5
235.02319	1.7
249.03917	12.0
257.63077	1.7
261.03937	12.7
267.04968	10.1
277.03348	8.3
279.05026	3.4
281.92529	1.6
295.04437	11.6
297.06033	9.2
313.05481	47.5
325.05560	2.8
429.07983	2.6
436.62289	1.8
447.09106	14.5
465.10187	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43515	0.5
70.00341	0.6
80.57646	0.7
81.07061	0.7
88.57718	0.5
89.06016	0.8
91.05508	0.6
105.06985	0.6
107.23276	0.6
127.27407	0.5
197.93483	0.6
199.05930	0.7
199.10753	0.6
219.13576	0.9
259.16797	0.9
261.18222	1.1
339.84787	0.6
365.61459	0.6
463.35416	4.0
465.35272	0.7
466.73743	0.6
481.36426	100.0
482.36685	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	481.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56100	1.7
60.26395	2.1
61.34838	1.8
64.33524	1.8
65.44524	1.7
69.37406	1.5
82.72926	1.9
84.95123	1.8
93.08546	1.9
132.24335	2.1
133.37323	1.8
145.31784	2.1
155.25180	2.2
174.10718	2.3
199.10904	2.7
239.86125	2.1
242.62027	2.2
375.97116	2.2
400.17670	2.1
403.54688	2.2
463.35464	3.4
481.36487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01868	7.7
55.05270	1.2
55.05508	25.1
57.03429	15.1
57.07063	13.6
58.03752	1.2
59.04980	4.5
61.02900	5.2
67.05495	28.6
69.03417	14.4
69.07056	72.4
70.03748	4.4
70.07378	9.2
71.01339	1.9
71.04968	4.8
71.08608	2.7
73.02904	14.5
73.74012	0.9
74.03237	1.4
79.05476	10.8
80.09856	1.0
81.03403	2.6
81.07040	100.0
82.07349	5.1
83.04957	2.2
83.08605	23.4
85.02892	33.4
85.06535	15.9
86.03222	6.1
91.05472	1.9
92.08659	1.8
93.07021	18.3
95.04927	1.1
95.08588	79.0
97.02876	18.2
97.06496	2.1
97.10148	16.9
98.03201	6.3
99.08073	8.3
102.23742	1.0
103.03892	1.4
105.07025	1.5
107.04933	1.6
107.08580	17.7
109.02833	2.1
109.06509	6.2
109.10145	55.2
111.08103	1.5
111.11716	8.1
113.09625	7.4
115.03920	6.0
116.04240	1.5
121.10136	18.4
123.11687	55.4
124.12013	15.5
125.09601	1.7
127.03875	4.9
127.11136	4.5
133.04985	8.0
133.70638	1.1
135.11679	14.4
137.13226	12.9
139.11200	2.0
145.04953	2.4
146.05281	1.7
149.13258	11.8
151.11195	9.9
151.14833	6.7
152.11523	8.4
163.14833	8.3
165.16319	5.7
177.16357	7.5
191.17932	5.1
247.24190	18.1
265.25244	15.9
265.58267	1.0
283.26257	30.3
284.15674	1.4
301.27371	11.2
319.28223	5.2
321.26465	1.2
326.65353	1.0
362.44742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
54.87285	1.3
55.05508	49.1
57.03425	1.8
57.07070	15.1
59.04982	2.7
62.92447	1.5
63.23454	1.5
67.05492	25.0
69.03407	7.4
69.07056	95.3
71.04964	3.0
71.08639	2.2
73.01773	1.5
79.05447	11.9
81.07040	100.0
83.08601	30.7
85.02889	19.9
85.06520	19.9
91.05492	1.9
92.08650	2.7
93.07023	29.5
95.04927	1.8
95.08583	74.7
97.06519	9.8
97.10143	32.9
99.08118	1.8
105.07016	3.1
107.08579	28.4
109.10148	40.9
111.08090	3.8
111.11695	16.3
113.09641	7.4
118.89989	1.4
121.10115	19.4
123.11683	33.1
127.11190	1.9
135.11697	13.2
137.05911	1.6
137.13252	15.3
139.11160	3.2
149.13292	13.6
153.12744	10.0
163.14777	3.0
165.16312	2.4
173.15274	1.7
177.09067	1.8
177.16396	6.0
177.80766	1.6
178.30415	1.5
191.17934	6.7
209.18983	3.3
241.73766	1.7
247.24126	8.2
265.25204	26.2
273.42023	2.1
283.26273	84.8
301.27133	2.6
319.28448	7.0
464.86688	1.8
467.55826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53314	1.5
72.28176	1.8
72.56592	1.6
75.66026	1.7
78.78529	1.9
86.00365	1.7
92.60674	1.9
102.39460	1.9
163.71991	1.6
261.18185	14.0
332.48080	1.8
342.78229	1.9
372.18860	2.1
481.36478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20332	0.8
58.94820	0.8
62.33841	0.9
62.81402	1.0
70.87980	0.8
89.45065	1.3
92.08761	1.8
98.87586	1.0
126.02161	1.2
132.38695	1.1
142.94049	0.9
155.85924	1.1
180.18129	1.1
261.18173	23.4
308.63733	1.2
375.76822	1.1
481.36426	100.0
482.36722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25825	1.3
59.18450	1.3
60.30193	1.6
61.52252	1.3
76.56442	2.0
82.20616	1.4
104.86452	1.6
105.93697	1.5
119.08586	1.6
123.22608	1.7
124.17914	1.5
140.22130	1.5
161.36336	1.3
261.18176	47.7
299.04944	1.9
312.70572	1.8
416.59430	1.7
481.36487	100.0
482.37183	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	481.1683
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
55.01870	1.6
56.96565	1.0
57.03423	1.9
59.04992	1.2
61.02901	0.9
61.31818	0.8
64.33534	0.7
69.03405	4.2
69.54366	0.7
73.02882	1.4
73.18814	0.8
73.24690	0.8
81.03419	0.8
81.07043	1.8
83.04993	1.2
85.02889	9.6
87.04437	0.9
91.05463	3.4
93.07016	4.2
95.04963	1.3
97.02877	5.2
97.06536	0.9
98.97590	1.1
105.06999	6.7
107.08596	6.7
107.11337	0.8
109.02829	0.9
109.06497	3.6
118.03958	0.9
119.08562	1.5
121.06491	6.9
121.10140	1.0
122.06778	1.1
123.04433	7.6
123.11679	1.9
127.03868	3.7
128.07054	1.9
131.08528	1.1
133.04984	1.0
133.10097	9.4
134.10468	3.1
135.04393	1.4
137.05960	3.2
139.03914	3.9
143.08562	1.8
144.08070	4.1
147.04375	1.0
151.11162	1.5
171.11719	3.8
173.36415	1.0
190.04958	1.0
199.11208	1.1
229.05090	0.9
231.12325	3.2
234.98969	1.9
249.13374	5.1
266.14661	0.8
267.14566	0.9
271.05939	8.0
275.11862	0.8
280.08026	1.6
293.12332	3.5
337.11020	1.0
421.11807	1.1
435.00046	1.0
437.17737	21.0
481.16635	100.0
482.16693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1704
Annotation	Paeonin B
Peak:m/z	Relative Intensity
55.01870	2.2
55.05507	0.5
56.96569	0.3
57.03426	1.8
57.12852	0.3
65.03930	1.5
67.05495	2.8
69.03418	2.7
69.07059	0.4
70.06582	0.6
71.01335	0.5
71.05017	0.4
73.02905	2.3
79.05468	1.5
81.07038	2.0
85.02889	6.0
86.03216	0.5
89.03906	0.7
91.05453	3.0
93.07024	1.7
95.04937	2.8
95.08619	0.4
97.02876	2.4
97.06511	0.6
98.03202	0.5
98.97554	0.4
103.05455	0.8
105.07018	1.8
107.04961	0.9
107.08583	2.5
108.02080	1.7
109.02849	0.7
109.06522	0.6
111.04429	1.4
115.03909	0.8
117.03362	2.7
119.04927	0.9
119.08577	2.8
121.06476	5.5
122.03642	0.4
123.04391	2.0
123.08051	0.7
123.11692	0.5
124.05199	0.6
125.05982	0.6
127.03889	1.5
129.54135	0.4
133.04904	0.8
133.10123	0.7
134.03609	2.4
135.04413	1.4
137.05956	8.1
137.09523	0.5
141.05429	4.7
145.05011	0.5
145.10088	0.4
147.04370	0.6
147.11688	0.6
149.05960	100.0
151.03893	81.6
151.05011	9.0
151.07407	2.6
153.01793	1.4
153.05624	0.7
153.06953	7.7
158.99681	0.3
161.05957	1.5
163.07533	0.6
167.07068	0.8
167.08504	0.4
170.07236	0.8
176.04594	0.4
177.05435	98.4
181.06458	12.7
182.07150	0.5
187.07655	0.4
195.07959	0.9
198.06761	2.2
209.05966	4.9
213.09052	7.3
226.06064	0.6
237.02789	0.5
240.07823	0.5
241.08531	8.4
242.09311	0.8
255.10553	0.5
265.11758	0.9
269.08109	1.9
273.11157	12.3
283.09616	0.8
283.15317	0.4
289.11676	1.7
301.07477	0.7
301.10599	20.0
319.11740	5.4
335.12155	0.5
373.13977	0.4
412.11404	0.4
427.14554	0.7
463.16425	0.5
481.18002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.81637	0.3
55.01868	4.4
55.05491	0.4
57.03433	5.8
57.07053	0.5
59.05007	0.3
59.20584	0.3
61.02910	1.8
67.05493	8.2
69.03420	6.8
69.07039	0.3
71.01340	0.6
71.04990	0.3
73.02904	5.9
79.05048	0.3
79.05472	1.7
81.03394	1.7
81.07041	9.8
85.02893	14.5
87.04468	1.5
91.05468	1.2
93.07031	1.6
95.04948	5.0
95.08572	1.3
97.02869	8.5
103.03892	0.5
105.07011	2.1
107.04913	0.3
107.08585	8.3
109.02860	1.5
109.06507	17.6
109.10142	100.0
110.10546	0.3
114.05515	0.4
115.03910	4.2
121.10115	0.6
123.08048	2.1
123.11681	12.5
127.03891	2.7
132.06531	0.6
133.04947	4.2
133.10106	5.7
145.05000	2.3
150.07617	0.5
151.11163	25.1
163.05974	0.7
169.12212	16.2
241.07205	0.5
283.15372	1.3
288.03177	0.3
295.10202	0.5
295.15060	0.4
306.11768	0.4
313.16415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.9
53.03950	1.9
55.01870	17.7
55.05507	4.6
56.96548	0.7
56.97823	0.6
57.03433	29.2
57.07077	3.2
58.47757	0.6
59.04990	4.0
60.04517	1.2
61.02635	1.3
61.02919	21.0
64.32867	0.8
67.05485	5.7
69.03420	53.6
69.07059	67.2
71.01345	9.0
71.04981	5.0
71.36052	0.6
72.23925	0.6
73.02905	100.0
75.54218	0.8
76.65263	0.7
79.05485	3.7
81.03392	7.7
81.07044	26.4
83.04971	1.0
85.02896	94.4
85.06542	1.4
86.96915	0.8
87.04464	6.1
90.29683	0.8
91.03946	3.9
93.07025	5.1
95.04951	2.9
95.08588	9.4
96.04497	1.0
97.02881	75.2
97.10199	0.9
99.04446	5.3
103.03915	1.6
103.58081	0.9
105.07015	3.1
107.08593	4.5
109.02886	10.0
109.06519	3.9
109.10143	14.7
113.05968	1.3
115.03913	34.7
119.08572	1.1
121.10139	1.8
123.08123	1.0
123.11695	68.1
127.03909	24.0
133.04947	26.6
133.10147	1.4
135.11685	1.3
141.12711	1.1
144.06535	1.5
145.04936	24.3
150.07623	0.9
151.07574	0.9
151.11162	36.8
156.06654	1.1
159.11662	1.2
160.29231	0.8
161.13187	0.9
163.06007	8.4
169.12256	7.8
180.08684	0.9
193.04912	0.9
199.06165	0.8
217.07132	1.0
223.06012	4.6
241.07127	4.5
241.13647	0.7
259.07999	5.4
265.14362	1.7
277.09183	1.0
281.24957	1.2
283.15356	17.5
313.16470	1.2
350.11969	0.9
373.03366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0975
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03926	0.7
54.19771	0.3
55.01848	1.7
57.03426	2.7
61.02654	0.3
61.02917	3.8
67.05499	0.5
68.99784	1.7
69.03416	7.3
69.07059	0.5
71.04977	0.8
73.02900	1.9
76.23516	0.3
79.05447	0.4
81.03417	3.0
81.07021	2.4
85.02888	16.4
86.29926	0.3
87.04456	0.4
91.03935	0.4
91.05456	0.8
93.07035	0.5
95.08575	0.6
97.02863	5.9
99.04427	0.6
105.07010	0.8
107.08557	0.4
109.02887	3.3
109.06493	0.6
109.10110	1.3
109.13891	0.3
111.00789	3.9
119.04893	0.4
121.02908	0.4
122.03595	0.7
123.11650	1.5
125.02363	0.5
126.03070	0.4
127.03941	2.7
133.04877	0.5
133.10110	0.9
135.04358	0.4
137.02322	4.2
137.05949	13.0
145.04973	0.6
147.04399	0.5
149.05981	2.8
149.09528	0.4
151.03865	2.9
151.11153	2.2
153.01814	17.9
153.05394	0.5
161.05963	0.5
161.65570	0.3
165.01817	6.5
165.06931	0.5
166.02599	0.4
167.85970	0.4
169.12180	0.7
175.03673	0.3
175.34229	0.4
177.05432	2.8
177.74933	0.4
179.03375	2.7
181.06451	0.5
183.02849	1.7
189.05429	1.9
194.07275	1.3
195.02922	0.5
203.03371	0.7
207.02908	0.6
217.04941	6.1
221.06036	0.4
232.03728	0.4
235.05780	0.4
239.01561	0.4
244.03674	0.7
245.04370	8.6
250.06483	0.5
255.02795	0.8
265.08484	0.8
273.03867	6.9
285.11139	0.6
290.04114	1.4
297.11096	1.5
301.03342	2.3
315.12283	0.6
319.04425	100.0
320.04794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00132	0.1
55.01856	0.4
57.03416	1.3
61.02916	10.9
65.03953	0.2
67.01851	0.2
67.05494	0.3
68.99776	1.7
69.03419	2.4
73.02900	3.4
81.03392	0.5
81.07032	0.5
85.02893	8.2
90.47015	0.2
91.03935	3.8
91.05435	0.8
93.07034	0.5
95.08576	0.4
97.02870	5.1
99.04446	0.8
105.07002	1.1
107.08559	0.9
109.02885	2.4
109.06471	0.3
109.10115	1.5
111.00803	4.0
120.92789	0.2
123.11688	1.1
125.02383	0.3
127.03896	1.6
133.10112	1.9
137.02347	2.8
137.05974	2.8
139.03886	0.5
145.04935	0.9
149.05959	1.9
151.03879	1.2
151.04953	0.3
151.11168	1.0
153.01813	16.4
153.05457	0.2
161.05980	0.4
163.05821	0.2
165.01793	5.7
166.02599	0.5
169.12175	1.8
175.03868	0.2
177.05437	1.9
179.03366	2.6
183.02878	2.1
189.01842	0.2
189.05423	1.2
189.07149	0.2
193.01358	0.5
195.02919	0.9
199.03909	0.3
203.03439	0.3
207.02905	0.2
217.04910	6.0
221.04495	0.3
227.03418	0.3
229.04868	0.4
232.03636	0.3
235.02409	0.3
244.03703	0.3
245.04398	7.1
255.02892	0.9
263.05551	0.4
265.08658	0.3
272.03104	0.2
273.03867	6.2
290.04080	1.6
297.11295	0.3
301.03479	1.7
315.12558	0.2
319.04437	100.0
320.04694	0.4
426.49988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01862	8.0
55.05497	0.6
57.03423	11.2
59.04991	0.6
61.02690	0.3
61.02921	5.2
61.44616	0.4
62.74509	0.4
69.03414	23.6
71.01302	0.5
71.04976	41.5
73.02901	5.5
75.04465	2.6
81.03393	2.8
83.01329	0.5
83.04961	4.5
85.02888	100.0
87.04453	2.5
91.03944	2.6
97.02866	16.5
99.04417	7.4
101.02348	4.6
103.03979	0.7
109.02874	2.6
111.04450	2.0
115.03918	2.9
121.06480	10.7
127.03886	34.9
129.05458	14.5
137.02307	5.3
145.04935	22.6
147.06493	7.7
155.03339	3.2
159.08003	0.6
163.05978	7.4
164.09216	0.5
175.07526	0.6
180.08655	2.1
187.07552	3.2
205.08588	1.8
229.08553	0.9
247.09599	1.0
253.72868	0.5
255.08609	0.8
265.10635	1.7
301.12790	0.7
318.15564	0.5
437.30511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05497	1.6
57.03431	12.8
61.02922	1.8
63.65331	0.7
69.03412	8.2
71.04977	69.9
72.77126	0.9
73.02886	4.6
75.04453	4.8
81.03403	1.5
83.04956	7.7
85.02888	100.0
87.04459	2.8
91.05453	3.5
93.07018	3.2
95.04935	1.4
97.02870	5.0
101.53668	0.8
103.03951	1.3
105.06999	3.8
107.08589	1.6
109.02844	1.5
111.04443	4.5
119.08536	1.0
121.06493	1.0
123.04408	5.2
127.03885	4.7
129.05457	24.2
133.06445	1.3
133.10095	1.2
137.05949	21.8
137.06935	1.4
145.04892	1.1
147.06505	10.4
149.05951	1.0
151.07527	4.7
161.05966	3.5
164.09132	5.3
165.05418	1.7
175.07481	1.7
179.07025	5.1
203.07002	1.2
245.07925	1.0
247.09593	4.1
265.10779	1.3
273.09586	1.0
309.11728	1.3
341.62308	0.8
370.57843	0.8
481.16574	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96418	0.6
53.03928	0.8
55.01863	1.2
57.03430	4.0
57.37467	0.6
59.04981	1.2
61.02907	1.5
67.05485	1.5
69.03429	5.5
71.04973	1.5
73.02891	3.0
75.04456	4.2
76.65543	0.7
79.05479	2.7
81.03408	1.1
81.07034	4.8
85.02898	15.0
91.03924	0.8
91.05459	5.6
92.09292	1.1
93.07030	9.7
95.04964	2.7
95.08593	14.0
97.02855	6.3
102.27789	0.7
103.05476	1.4
104.76606	0.6
105.07016	25.1
107.04939	3.4
107.08559	1.4
108.05724	1.2
109.02876	1.4
109.06530	0.9
109.10083	0.8
115.03918	1.3
118.04140	3.2
119.04938	3.6
119.08568	0.8
121.06482	2.8
123.04419	1.0
123.08060	2.9
123.11706	4.7
125.05941	0.7
127.03886	3.5
131.08521	0.8
132.05748	0.8
133.04938	2.8
133.05479	0.8
133.06461	20.0
133.10097	5.3
135.04402	1.0
135.08054	4.8
137.05957	5.4
145.04950	3.6
147.04442	0.7
149.05969	2.8
150.06750	12.6
151.06416	1.3
151.07532	24.5
151.11174	3.6
152.08301	4.1
153.05515	0.9
161.05928	4.7
163.06006	1.3
163.07533	1.6
165.09079	17.8
167.06984	13.7
168.07768	7.3
169.12206	3.2
171.11639	0.9
178.06198	1.1
179.07001	7.6
179.10623	4.2
180.08644	0.8
192.10808	0.7
193.08571	80.7
194.09209	0.9
197.11696	0.9
205.08597	3.0
209.08014	5.1
211.09624	100.0
212.10353	5.5
213.11203	5.6
223.09605	3.3
237.11345	1.0
247.13083	1.3
255.12228	48.0
265.14282	0.9
301.12802	24.3
301.16144	1.3
318.06607	0.7
319.04565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10917	0.4
54.81540	0.5
55.01849	1.0
57.03419	3.0
59.04975	0.7
61.02906	2.5
64.33321	0.5
67.05489	0.5
69.03407	4.8
70.18601	0.4
71.04980	0.5
73.02902	4.4
73.25068	0.5
79.05463	2.3
81.03384	1.9
81.07018	0.6
85.02895	13.4
87.04446	0.8
91.03940	0.5
91.05452	4.5
93.07040	2.2
95.04922	0.8
97.02885	4.9
99.66697	0.6
103.05442	1.1
105.07015	23.4
107.04907	1.0
107.08562	0.9
107.56553	0.5
108.05706	0.9
109.02876	0.9
109.06480	2.9
113.21251	0.5
115.03922	2.5
115.05466	0.5
117.07012	1.1
118.04108	2.4
119.04926	2.5
119.08539	0.8
121.06473	2.5
121.10112	0.8
123.04372	0.6
123.08056	1.3
124.05233	0.5
127.03849	2.2
131.08559	1.2
133.04956	0.8
133.06464	18.5
133.07393	1.1
133.10098	6.6
135.07996	3.6
137.05925	6.6
138.06776	0.9
143.43820	0.6
145.04933	1.3
145.10056	0.7
147.04442	0.6
149.05928	1.0
149.09584	0.7
150.06743	9.5
151.03969	0.6
151.07526	23.3
152.08255	3.9
153.05420	0.7
159.11650	0.7
161.05939	2.6
163.07564	1.1
165.09082	15.9
166.06181	1.0
167.07005	12.3
168.07808	6.5
169.04945	0.5
169.67625	0.5
177.05447	0.7
178.06247	1.1
179.07005	6.6
179.10645	3.6
181.08420	0.7
189.09024	0.8
192.03700	0.5
193.08578	78.3
194.09224	1.1
197.11647	0.8
205.08569	2.7
209.08069	4.1
211.09630	100.0
212.10374	5.2
213.11169	6.2
223.09587	2.7
237.11264	0.8
255.12219	43.9
265.14349	1.1
266.20950	0.6
301.12775	29.5
304.80801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
55.05510	1.0
55.35092	0.4
57.03431	12.8
57.06400	0.4
58.94951	0.3
59.04988	0.6
61.02901	3.3
65.95635	0.4
69.03418	8.5
71.01328	1.0
71.04977	71.7
73.02894	3.9
74.65735	0.4
75.04469	4.7
81.03391	2.2
83.04967	7.8
83.67789	0.4
85.02889	100.0
85.35605	0.5
87.04451	2.8
91.03947	0.7
97.02865	9.0
99.04428	2.8
101.02353	1.7
103.03944	0.4
106.47575	0.4
109.02892	0.9
111.02793	0.5
111.04436	4.0
118.07075	0.5
121.06483	3.5
127.03886	13.3
129.05453	21.4
137.02309	8.8
145.04935	9.0
147.06496	14.2
155.03372	8.3
159.08194	0.4
163.05988	0.9
164.09123	0.8
168.06606	0.7
174.44397	0.5
180.08734	0.7
187.07494	0.5
205.08655	0.8
229.08704	0.6
255.08484	0.5
265.10736	0.5
273.09683	0.8
462.95346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01860	2.7
55.68119	0.4
57.03430	7.5
59.04998	0.4
61.02916	11.5
61.03402	0.5
69.03419	22.6
69.03760	0.8
71.01327	0.7
71.04980	5.6
73.02905	6.5
81.03400	8.3
83.04948	0.5
85.02891	100.0
86.03271	0.6
87.04453	2.6
88.41273	0.5
91.03936	4.2
91.05450	2.1
93.07024	2.9
97.02871	29.2
99.04434	4.6
101.02383	0.9
103.03931	0.7
103.05445	2.0
105.07066	0.5
107.04940	0.8
109.02870	8.4
115.03915	2.1
117.06995	0.8
121.06487	42.5
122.06792	0.8
127.03895	19.7
129.05447	0.6
129.06987	0.5
131.08556	1.1
141.07014	0.8
144.05717	0.6
145.04939	21.8
145.06477	2.6
151.07477	0.8
157.06480	2.1
159.08020	4.7
161.05994	0.7
163.05998	7.5
175.07553	2.8
179.07024	1.9
183.08035	0.9
184.99066	0.7
187.07518	14.1
201.09055	0.5
205.08568	9.3
217.08597	0.9
229.08543	4.7
233.06381	0.4
235.09761	0.8
236.98920	0.6
238.98444	0.9
247.09506	6.4
255.00096	0.8
256.99652	1.0
265.10651	4.9
301.12921	0.7
325.11362	0.8
329.03271	0.6
352.92087	0.5
357.04922	0.9
359.04443	0.9
418.17603	2.2
479.17035	0.9
480.17673	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	480.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01868	6.9
55.73195	0.3
57.03429	13.9
58.03767	0.4
59.04979	1.8
61.02913	5.9
67.05492	0.6
69.03417	19.9
69.07059	0.3
70.03755	1.3
70.38110	0.2
71.01346	2.2
71.04981	1.3
72.04501	0.6
73.02904	15.8
74.03244	0.4
75.04476	0.3
76.80948	0.3
79.05482	1.3
81.03401	3.5
81.07032	1.4
81.74927	0.3
85.02890	32.4
86.03233	1.5
87.04448	8.5
88.04766	0.3
91.03932	1.4
91.05459	2.1
93.07032	0.7
94.73782	0.3
95.04950	1.4
95.08582	0.3
97.02869	17.9
97.06506	0.3
98.03210	1.3
98.97569	0.3
99.04436	1.9
103.03950	0.6
105.07010	3.9
107.04935	1.5
107.08597	0.6
109.02866	4.2
109.06490	1.8
109.10133	2.2
110.03642	3.1
111.04433	1.5
115.03150	0.5
115.03915	10.0
116.04288	1.1
117.07010	0.5
119.08540	0.5
121.06499	0.5
123.04443	0.5
123.08039	1.2
123.11673	1.0
125.05961	1.7
127.03905	6.0
131.08542	1.6
132.05626	0.3
132.06573	1.1
133.04947	10.6
133.06497	1.8
133.10088	3.4
134.05272	1.1
135.08047	0.7
137.02318	100.0
138.02715	0.3
143.08551	0.4
145.04939	5.2
145.06017	0.3
145.06520	0.3
145.10149	0.4
147.04370	0.4
147.08026	0.3
147.11684	0.4
150.06615	0.6
150.07623	1.9
151.07478	2.4
151.11148	1.4
153.35368	0.3
155.03383	0.5
157.10020	0.3
159.11597	0.6
163.05968	1.6
165.09074	1.7
167.06992	1.4
168.07840	0.4
169.04927	72.6
169.12221	2.2
171.11630	0.4
173.13182	0.6
179.06998	0.6
179.10570	0.7
187.11224	0.3
189.05408	0.3
193.08569	8.1
211.09615	10.5
213.11118	0.5
219.13727	0.5
229.12105	0.5
241.07161	0.5
255.12271	4.4
259.08066	1.2
265.14203	0.6
283.15186	0.6
295.10254	0.4
301.12665	2.8
301.16306	0.6
367.82202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39867	0.4
55.01838	0.5
57.03428	17.2
59.04988	4.0
60.04500	0.6
61.02921	0.7
67.05470	0.8
69.03417	48.2
73.02896	2.2
75.04453	3.1
78.89521	0.5
81.03412	1.0
85.02893	36.0
87.04454	28.4
92.08772	0.7
95.04948	1.2
97.02871	34.3
98.97596	0.6
99.04435	0.7
105.06993	0.8
109.02889	0.9
115.03909	33.4
117.91302	0.6
118.27832	0.6
121.06455	0.5
123.04404	100.0
127.03879	2.6
132.08092	2.0
133.04945	24.7
137.05956	0.8
139.03871	0.6
145.04944	3.3
147.04375	7.2
150.07600	3.4
151.03891	18.3
157.10124	0.6
160.07556	41.7
161.05927	2.4
161.06549	0.6
161.07896	12.0
165.05457	3.6
169.04930	32.0
169.06381	1.2
173.05969	0.9
175.03894	0.5
177.10208	2.3
178.10527	1.1
187.03929	0.8
189.05380	5.2
193.04907	6.5
201.05325	0.7
205.04932	1.3
211.06012	1.0
219.06508	4.5
230.34520	0.6
235.05847	3.8
242.24776	0.6
247.05966	3.4
259.08047	1.3
265.07025	3.4
314.06924	0.6
348.12094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
57.07064	34.0
57.40186	3.6
69.07049	18.2
71.08608	25.2
79.05461	5.0
81.07027	21.8
83.08614	5.6
83.97879	3.6
85.10186	9.5
92.47405	3.9
93.07025	9.1
95.08598	9.6
97.10163	5.3
101.06017	6.8
105.07041	3.8
107.08591	8.4
121.06429	4.4
121.10185	6.9
127.07545	18.8
129.05466	8.8
133.10201	4.2
135.11775	7.2
149.13281	6.2
233.69566	4.5
373.02670	4.0
402.35101	4.5
479.34924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.5
57.03430	10.3
59.04987	1.8
61.02913	5.9
69.03417	12.6
71.01347	2.0
73.02898	13.8
76.56240	0.4
79.05476	1.0
81.03399	3.2
85.02895	26.7
87.04450	1.0
91.05471	0.5
92.09322	0.5
93.07028	0.8
95.04949	0.5
97.02872	16.3
99.04425	0.6
103.03909	0.8
105.07017	2.0
107.04941	1.7
109.02888	4.6
109.06513	0.7
110.03640	2.8
110.59335	0.4
113.96482	0.4
115.03918	7.3
119.62106	0.4
123.11690	0.8
127.03891	7.4
133.04944	7.9
133.10144	2.1
137.02322	100.0
138.02689	0.5
145.04950	6.1
148.42592	0.4
151.11206	1.7
155.03362	0.8
156.41261	0.5
163.06033	2.0
169.04933	63.4
228.04083	0.5
229.04721	0.5
241.07094	0.8
259.08060	0.5
265.14258	0.5
274.04599	0.6
275.05109	0.6
301.03366	2.9
302.04074	13.7
303.04507	13.8
308.94830	0.5
317.06519	22.5
318.06848	42.4
319.06976	0.6
472.67288	0.5
480.12158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18160	0.6
51.51738	0.5
53.03928	1.5
53.43311	0.6
55.01866	22.9
56.47130	0.6
57.03432	40.1
57.91410	0.7
59.04984	4.7
61.02914	19.7
63.97017	0.7
69.03419	41.4
70.06580	0.9
71.01338	8.4
71.04980	1.1
72.04498	3.5
73.02899	47.5
75.04494	1.2
81.03391	5.6
85.02890	100.0
86.62334	0.6
87.04460	7.3
91.03957	3.9
91.05449	1.0
93.06981	1.2
95.04945	1.0
97.02873	49.7
98.97554	0.9
99.04406	3.5
103.03953	6.1
105.06991	0.8
107.04953	1.1
109.02856	7.9
114.05486	1.5
115.03914	25.5
119.08570	0.8
121.06507	1.2
127.03894	21.3
131.08588	0.8
132.06516	4.0
133.04939	32.2
133.10063	0.8
134.53641	0.7
145.04942	31.0
145.06454	3.1
147.04422	0.9
149.05893	0.7
150.07570	7.6
160.14948	0.6
163.05984	8.8
166.33771	0.7
169.05121	0.8
180.08669	1.0
187.07497	1.2
189.43663	0.7
192.06436	0.9
193.04955	1.0
207.10442	0.7
223.06056	1.8
234.07635	5.2
241.07025	3.3
259.08112	4.7
295.10196	1.6
347.14407	3.7
352.36926	0.9
388.54785	0.8
479.19354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44696	0.9
53.96462	1.0
57.03426	38.7
58.34520	1.1
59.04976	8.4
60.04519	1.6
61.02913	8.7
69.03415	100.0
73.02876	2.1
75.04450	3.0
81.03413	1.9
85.02890	82.1
87.04447	67.5
91.03934	6.8
92.09336	3.7
97.02268	2.4
97.02869	68.2
97.10417	1.2
109.02856	1.8
115.03910	68.8
115.04731	2.2
127.03873	5.9
133.04935	67.4
145.04936	8.5
145.06491	1.6
150.07607	17.2
164.28140	1.3
169.05002	1.4
178.87169	1.3
241.07117	1.7
246.40680	1.2
257.34000	1.5
259.08112	4.6
295.10352	1.5
347.14465	2.2
458.52786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10061	12.3
61.15770	14.1
80.94827	28.5
114.65097	13.1
128.47989	14.8
148.33997	14.3
161.83388	14.5
182.25204	12.4
192.32764	12.0
212.20006	13.2
228.52580	13.1
259.16486	100.0
266.45074	14.1
400.00208	13.6
479.34863	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61450	2.2
55.05488	10.4
57.06815	2.7
57.07069	41.4
61.73409	2.3
62.96109	2.3
63.92378	2.2
67.05505	3.6
69.07062	21.4
71.08613	28.4
79.05474	5.5
81.07040	23.8
83.04964	5.7
83.08591	9.8
85.10165	14.8
93.07049	21.0
95.08589	15.2
97.06494	3.4
101.05985	13.5
103.09872	3.2
107.08573	17.8
108.48577	2.4
109.06484	5.5
109.10129	6.3
111.08047	3.6
116.82234	2.4
117.56356	2.6
121.10110	11.6
125.06010	3.1
127.07545	23.7
129.05382	22.1
135.11679	4.4
149.13246	6.4
177.16336	3.7
351.09277	2.8
479.34952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.92987	0.1
54.81907	0.1
57.03387	0.2
57.06892	0.1
61.02916	3.7
61.03212	0.3
62.26516	0.1
68.99744	0.1
69.03387	0.5
73.02893	1.0
81.03360	0.1
85.02891	2.8
91.03928	1.4
91.05400	0.2
93.03321	0.2
97.02851	1.7
99.04433	0.2
110.03576	0.6
111.79231	0.1
121.02771	0.3
129.61583	0.1
137.02289	1.7
137.62929	0.1
149.09659	0.2
150.03029	0.2
153.01814	1.1
167.03357	0.6
169.68938	0.1
193.01311	0.3
200.04634	0.2
204.04030	0.3
217.04904	0.2
218.05740	0.2
228.04189	2.6
229.04932	1.3
243.06248	0.2
245.04301	1.0
246.05049	0.2
256.03528	0.9
257.04361	1.3
271.05997	0.2
273.03918	1.0
274.04675	5.0
285.03827	1.6
301.03378	10.7
302.04144	38.8
303.04614	0.3
317.06494	100.0
318.06888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.99429	0.2
55.05494	0.2
57.03416	1.1
61.02918	11.8
65.03915	0.3
69.03430	2.0
73.02898	2.6
76.48495	0.2
81.03407	0.5
81.07042	0.3
82.29049	0.2
82.30935	0.2
83.78571	0.2
84.29012	0.2
85.02892	7.9
91.03937	3.3
91.05463	0.4
92.02597	1.2
92.08909	1.5
93.03400	1.8
95.08589	0.4
97.02874	4.9
99.04380	0.2
105.06971	0.3
107.08593	0.2
110.46590	0.2
111.15009	0.3
121.02827	1.7
121.10235	0.2
126.03134	0.5
127.03906	0.5
137.02338	0.4
137.05954	0.5
139.03839	1.2
145.04980	0.5
151.03864	1.5
151.06229	0.3
152.48109	0.2
153.01808	10.9
163.03822	0.3
165.01830	0.5
168.06528	0.3
189.63164	0.2
201.05440	1.1
203.03424	0.5
217.04930	1.2
218.05762	1.0
228.04094	2.5
229.04967	5.2
231.02840	0.4
245.04411	2.0
246.05219	3.2
256.03571	0.3
257.04449	3.7
260.03052	0.3
261.07614	0.3
271.05853	0.4
273.03802	2.6
274.04663	7.7
284.03207	0.3
285.03888	7.3
301.03452	0.3
302.04163	20.6
317.06509	100.0
318.06894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68770	2.1
53.80472	1.8
54.23930	1.6
55.05503	19.5
56.89801	1.8
57.03408	2.4
57.07074	5.2
58.63235	1.9
65.03944	1.8
67.05499	28.4
69.03384	1.8
69.07057	38.7
69.72315	1.9
71.04963	4.5
72.45969	2.1
78.41745	2.2
79.05475	26.7
81.07040	64.5
83.04984	3.4
83.08624	5.2
91.05468	26.4
93.07023	58.3
95.04957	12.3
95.08593	66.4
97.06521	4.5
105.07020	83.3
107.07867	5.2
107.08585	100.0
109.06509	26.1
109.10144	25.7
111.08088	9.5
115.94128	2.4
117.06998	5.1
119.07732	4.0
119.08566	79.3
121.06496	37.2
121.10123	46.9
123.08078	14.4
123.11644	16.4
125.09607	15.3
131.08565	5.7
133.10114	21.4
135.08032	45.4
135.11658	26.1
137.09579	2.5
143.08473	2.5
145.10118	26.3
147.11661	15.7
149.09639	3.4
149.13292	10.3
151.14857	2.8
159.11690	15.8
161.13245	15.0
163.11209	13.4
163.14850	2.4
175.14809	9.0
177.16399	10.2
191.17986	3.1
201.16396	19.2
203.17976	15.5
207.17386	3.6
219.17419	49.9
257.83450	2.4
292.60687	2.5
434.05078	2.4
458.42331	2.7
478.33728	3.4
479.34927	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03424	0.4
59.04995	0.2
69.03407	0.6
71.04932	0.2
73.02888	0.6
81.43354	0.3
85.02878	1.9
92.02576	0.3
93.06998	0.2
94.20512	0.2
95.08535	0.3
97.02884	1.1
102.98466	0.2
107.04930	1.8
110.03683	0.4
115.03960	0.2
119.47240	0.2
127.03876	0.4
137.02313	3.4
149.09547	0.3
153.01801	1.0
167.06966	0.5
169.04932	2.0
183.22119	0.2
194.83345	0.2
200.04716	0.5
204.04208	0.3
228.04167	2.3
229.04913	1.4
231.37645	0.2
245.04369	1.1
256.03589	1.2
257.04465	0.9
273.03806	0.3
274.04675	5.2
285.03867	1.3
301.03384	10.7
302.04150	41.4
317.06494	100.0
318.06897	1.0
355.31592	0.3
386.87369	0.3
479.11636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77109	0.4
53.00297	0.5
53.03924	0.8
53.69750	0.4
55.01863	0.7
55.05504	25.0
55.88517	0.4
56.27103	0.4
57.03426	16.6
57.07076	3.7
62.06052	0.5
64.96828	0.4
65.03905	0.5
66.22949	0.4
67.05492	45.3
69.07054	28.1
71.04971	2.9
71.08598	0.8
78.36581	0.4
79.05055	0.7
79.05473	13.0
81.07040	48.8
81.30123	0.5
83.04956	2.2
83.08601	12.0
85.06523	0.7
85.10155	0.7
91.05470	10.2
93.07018	13.4
95.04981	1.5
95.08585	37.1
97.06513	3.0
97.10159	5.6
98.06029	0.5
98.82478	0.5
98.98454	0.9
99.08047	0.5
105.07010	8.0
107.08573	7.4
109.10139	11.0
111.08050	0.9
119.08558	6.4
121.06480	0.5
121.10126	5.0
123.08007	0.9
123.11704	4.4
124.01584	0.6
125.09610	1.1
131.08525	2.1
133.10088	5.0
135.08040	0.5
135.11652	3.0
137.09584	0.7
137.13242	1.0
143.08551	0.6
145.10129	2.1
147.11679	2.3
151.11075	0.7
157.10057	1.0
159.11711	0.8
161.09521	0.5
161.13164	1.0
163.14748	0.6
173.13213	0.6
175.14899	1.0
187.75729	0.6
192.32860	0.6
195.00308	0.6
258.18616	0.6
277.85135	0.5
306.27884	2.5
337.27313	100.0
350.15085	0.5
411.35306	0.6
458.03622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05504	22.6
56.93091	1.3
57.03418	7.0
62.06073	34.0
67.05492	46.8
69.07053	21.7
69.95300	1.1
71.04979	1.7
74.37959	1.4
79.05482	14.6
79.09397	1.3
81.07039	47.9
83.04968	2.1
83.08595	11.9
87.05050	1.6
91.05467	16.0
93.07021	24.0
95.04955	1.8
95.08581	39.3
97.06522	2.1
97.10159	2.4
98.98441	13.6
103.05442	12.2
105.07024	9.4
107.08561	15.2
109.06580	1.5
109.10143	14.8
119.08572	8.6
121.06564	2.1
121.10121	6.6
123.08009	1.5
123.11716	2.4
124.01537	1.6
131.04898	33.2
131.08513	2.2
132.05185	2.5
133.10132	7.1
135.11705	8.4
137.13303	1.9
142.07887	1.6
145.10100	3.2
147.11646	2.0
153.12793	1.5
155.01051	2.8
157.10115	1.8
159.11642	2.0
182.06506	1.3
216.06277	2.3
243.13437	1.6
263.23657	6.8
302.08636	1.4
305.04532	1.9
306.27917	12.2
337.27298	100.0
355.09857	1.7
383.25787	1.8
417.23624	1.8
460.28079	8.1
478.28961	8.5
489.17648	1.5
503.14801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	14.1
55.05511	1.1
57.03176	1.2
57.03429	22.0
59.04994	3.9
61.02917	8.7
67.05499	4.9
69.03419	26.3
69.07057	3.5
71.01353	3.5
71.05000	3.1
73.02900	27.2
79.05470	7.9
81.03405	4.4
81.07034	6.0
83.04984	1.2
85.02889	46.2
87.04446	3.7
88.50934	0.7
91.03941	1.1
91.05470	4.5
92.08830	1.0
93.03423	0.9
93.07027	9.7
95.04946	1.2
95.08581	7.5
97.02873	29.9
99.04462	1.3
103.03931	1.4
105.07028	4.7
107.04989	1.1
107.08587	4.0
109.02848	1.9
109.10160	1.1
111.04439	10.7
115.03896	14.1
121.10133	15.1
125.05984	3.3
127.03905	8.6
129.06871	0.8
131.08556	5.1
133.04956	16.1
137.05936	3.3
145.04956	10.4
149.09595	18.1
151.07553	4.8
163.06015	4.4
167.10645	100.0
208.83002	0.8
228.76468	0.8
241.06924	1.1
259.08105	1.4
260.65262	0.8
264.86423	0.9
281.13797	1.2
295.10190	1.2
295.13266	0.8
311.15192	1.4
329.15903	1.1
360.61200	1.0
399.73004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
54.81732	1.1
55.01869	26.2
55.05495	4.3
57.03431	50.3
59.04725	1.2
59.04981	9.0
59.44781	1.0
61.02922	20.0
67.05486	6.7
69.03419	56.3
69.07053	2.7
71.01335	10.8
71.04970	6.2
72.04506	1.2
73.02906	55.6
75.04445	1.2
79.05465	10.5
81.03389	8.0
81.07036	13.0
83.04948	2.0
85.02895	100.0
85.06507	1.4
87.04462	16.3
91.03939	1.8
91.05473	7.6
93.07028	38.9
95.04948	6.7
95.08610	6.6
97.02873	65.4
97.03499	2.4
97.06474	2.6
99.04404	7.9
101.20262	1.4
103.03909	4.6
105.07026	9.7
107.04988	1.5
107.08580	13.3
109.02855	9.7
109.06470	1.1
109.10141	1.3
111.04423	8.9
111.08098	2.5
115.03923	34.6
119.08561	2.4
121.06478	1.3
121.10134	47.1
123.04457	1.4
123.08072	1.4
123.11681	2.7
124.10045	1.1
125.05978	4.7
127.03891	23.1
131.08566	6.1
133.04947	35.2
135.08063	1.3
139.11179	1.6
145.04947	22.1
145.10092	1.6
149.09587	17.6
149.13280	2.1
151.07539	2.2
159.10190	1.3
162.07535	1.5
163.05995	5.2
167.10651	60.2
180.08765	2.4
191.10609	2.1
217.12120	1.3
223.06087	2.0
241.07053	2.4
242.68347	1.3
259.08054	1.7
311.14743	2.2
450.85913	1.3
464.84091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05507	8.8
55.05720	0.9
57.03414	3.5
61.02901	2.4
65.03928	1.1
67.05489	22.2
69.03411	9.1
69.07041	1.1
71.04977	6.4
73.02911	1.9
79.05470	9.1
80.78027	0.9
81.03407	1.9
81.07032	10.0
83.04963	96.0
85.02882	20.8
91.05475	10.5
93.03401	1.6
93.07021	7.7
95.04946	16.4
95.08588	7.5
97.02869	8.8
97.06499	4.5
99.04420	1.5
102.44968	0.9
105.06999	11.2
107.04928	2.1
107.08574	100.0
109.02898	3.9
109.06517	8.5
109.10140	50.9
111.04429	13.2
111.08030	1.2
117.07017	2.4
119.08540	11.8
121.02835	1.9
121.06466	6.2
121.10107	1.8
123.04397	5.6
123.08048	15.0
125.09607	53.7
127.03867	1.4
128.06183	1.2
129.07010	1.5
131.08539	7.2
133.06425	1.6
133.10101	6.6
135.04401	4.5
135.08026	21.0
137.05994	8.4
139.03821	1.2
139.07564	1.2
141.06912	1.1
142.07777	1.1
143.08568	8.6
145.04935	1.8
145.10118	5.8
147.08049	6.2
147.11652	1.4
151.07472	1.1
153.05452	1.8
153.09076	63.1
156.09319	10.7
157.10078	5.6
159.08017	16.8
159.11697	1.7
160.88733	1.1
161.09563	4.8
161.13240	5.0
165.09087	6.0
171.11658	14.5
173.09593	3.9
173.13141	1.2
175.07561	1.9
175.11084	10.8
176.64871	1.0
177.09013	7.1
181.10062	1.6
184.08838	4.4
184.13251	1.0
185.09555	2.5
187.11186	2.1
189.12721	10.9
191.08546	1.2
193.08533	1.2
195.08121	1.5
199.11136	29.2
203.10635	2.4
205.12138	1.1
216.71793	1.0
217.12213	28.0
219.08078	3.9
227.10623	4.0
233.11630	1.6
235.13237	66.1
237.09015	1.6
238.16354	1.1
245.11676	18.0
263.12704	43.7
281.13748	17.0
283.09549	1.8
299.14795	1.5
300.12305	5.3
346.12680	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98293	0.7
53.03940	1.6
55.01627	1.1
55.01870	21.7
55.05500	1.6
55.34196	0.7
57.03432	45.5
58.50218	0.7
59.04995	7.7
60.04509	1.0
61.02919	15.8
67.05496	23.6
69.03417	47.5
69.07063	1.8
71.01331	8.7
71.04958	4.1
72.04527	0.9
73.02905	50.1
79.05470	12.0
80.76688	0.9
81.03396	8.3
81.07039	14.4
83.01337	0.8
83.04970	8.3
85.02894	100.0
85.11410	0.8
86.98375	0.8
87.04469	9.8
87.93407	0.7
90.97649	0.9
91.03932	1.5
91.05445	1.5
93.03387	5.6
93.07028	19.3
95.04953	1.3
95.08588	11.1
97.02876	58.1
97.06532	1.2
99.04436	3.7
103.03928	4.4
103.05489	1.4
105.07013	3.4
107.04953	1.7
107.08562	4.5
109.02846	5.8
111.04433	49.0
114.05509	1.0
115.03150	1.5
115.03922	29.0
121.10135	37.3
123.08070	3.6
123.11681	3.6
125.05975	12.9
127.03894	18.4
131.08565	3.6
133.04953	31.4
137.05945	2.2
139.11153	5.8
144.06580	1.1
145.04947	20.3
145.10048	1.3
149.09602	18.9
150.07642	1.8
151.07515	12.3
162.07581	1.6
163.05971	6.0
167.10652	54.2
171.04335	0.8
177.09064	1.1
191.10690	1.1
217.07018	1.0
223.05951	1.2
241.07077	1.9
259.08139	3.6
281.13870	4.1
311.14935	1.9
477.62683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
56.96547	0.5
57.03430	3.2
61.02912	1.5
64.12543	0.2
69.03421	3.7
71.01322	0.3
71.04990	0.2
73.02899	3.1
79.05477	0.3
81.03379	0.4
85.02895	7.2
87.04449	0.5
90.09621	0.2
91.05461	7.3
93.07015	0.3
95.04961	0.5
97.02874	3.8
99.04452	0.3
105.07008	1.0
107.08607	0.4
109.02847	0.4
115.03905	1.8
115.05461	1.0
116.06232	2.1
119.04934	0.4
119.08588	1.2
121.06456	0.4
121.10130	0.2
124.07530	0.3
127.03905	1.7
128.06233	0.2
129.06999	1.4
131.08548	100.0
132.08798	0.3
133.04948	1.8
133.06429	0.3
133.10126	0.5
135.08051	0.3
137.05891	0.3
141.06953	0.3
143.08524	1.0
145.04939	1.0
145.10080	1.7
147.04369	1.4
147.08070	0.4
149.09605	7.7
155.08548	0.3
157.10191	0.4
159.11626	0.3
163.06013	0.2
169.10124	0.3
173.09561	1.5
179.08528	0.2
185.09587	0.9
187.11136	0.3
197.09631	0.5
199.11168	0.3
227.10680	0.3
245.11804	1.2
249.73303	0.3
257.03244	1.0
257.33264	0.2
259.08047	0.3
263.12732	2.9
281.13907	0.4
290.64047	0.2
295.10135	0.3
299.14853	0.4
310.05698	0.3
316.13876	0.5
406.10590	0.3
419.81525	0.3
464.31131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
56.96547	0.5
57.03430	3.2
61.02912	1.5
64.12543	0.2
69.03421	3.7
71.01322	0.3
71.04990	0.2
73.02899	3.1
79.05477	0.3
81.03379	0.4
85.02895	7.2
87.04449	0.5
90.09621	0.2
91.05461	7.3
93.07015	0.3
95.04961	0.5
97.02874	3.8
99.04452	0.3
105.07008	1.0
107.08607	0.4
109.02847	0.4
115.03905	1.8
115.05461	1.0
116.06232	2.1
119.04934	0.4
119.08588	1.2
121.06456	0.4
121.10130	0.2
124.07530	0.3
127.03905	1.7
128.06233	0.2
129.06999	1.4
131.08548	100.0
132.08798	0.3
133.04948	1.8
133.06429	0.3
133.10126	0.5
135.08051	0.3
137.05891	0.3
141.06953	0.3
143.08524	1.0
145.04939	1.0
145.10080	1.7
147.04369	1.4
147.08070	0.4
149.09605	7.7
155.08548	0.3
157.10191	0.4
159.11626	0.3
163.06013	0.2
169.10124	0.3
173.09561	1.5
179.08528	0.2
185.09587	0.9
187.11136	0.3
197.09631	0.5
199.11168	0.3
227.10680	0.3
245.11804	1.2
249.73303	0.3
257.03244	1.0
257.33264	0.2
259.08047	0.3
263.12732	2.9
281.13907	0.4
290.64047	0.2
295.10135	0.3
299.14853	0.4
310.05698	0.3
316.13876	0.5
406.10590	0.3
419.81525	0.3
464.31131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10953	2.4
55.05498	5.3
57.07076	3.1
60.81292	2.6
65.21430	2.4
67.05490	4.3
69.07056	16.0
76.02538	2.5
78.60431	2.6
79.05476	5.2
81.07040	37.1
85.99972	2.5
91.05459	10.4
93.07026	36.3
95.04944	5.4
95.08590	49.9
96.85839	3.1
97.10105	3.1
100.69443	2.8
105.07008	65.9
105.07663	4.3
107.08561	38.1
109.10144	35.9
117.06953	3.3
119.08555	75.1
121.10101	42.6
121.97210	3.1
123.11684	19.2
131.08571	3.4
133.10101	35.9
135.11690	4.8
145.10107	3.0
147.11665	62.8
159.11592	3.4
161.13188	22.7
163.14816	14.0
203.17918	100.0
221.18973	29.8
252.46748	3.1
271.52585	2.8
298.59320	3.5
441.37018	3.3
447.55411	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.4
63.53916	7.6
69.07053	19.1
74.09680	13.3
78.33585	9.0
81.07043	47.1
84.98706	7.7
91.05439	10.2
92.10689	10.1
93.07016	48.1
95.08566	54.8
105.07021	55.7
107.08572	52.9
109.10170	17.9
119.08555	48.5
121.10094	37.8
121.56748	9.1
122.10461	7.5
123.11645	10.8
131.08493	11.6
133.10107	15.6
145.10089	37.0
146.10498	15.5
147.11708	11.2
151.07639	8.3
154.37532	9.0
201.16331	18.8
203.17964	19.0
214.13263	100.0
243.13422	9.2
246.12207	34.9
261.14597	14.8
376.34836	8.7
477.33536	99.8
482.26028	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	478.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05494	1.9
55.74238	0.4
55.93495	0.4
57.03428	14.6
59.04989	0.8
61.02916	1.1
64.30537	0.4
69.03411	1.1
71.01333	0.6
71.04976	82.9
73.02897	2.7
75.04462	4.6
83.04961	8.1
85.02888	100.0
87.04449	2.6
92.08659	1.0
93.97976	0.5
97.02877	4.0
99.04432	1.8
102.91859	0.4
107.04939	6.5
109.02850	1.9
111.04417	4.9
127.03893	3.6
129.05450	26.8
131.04897	3.1
135.04433	0.6
145.04947	2.2
145.06371	0.5
147.06502	13.9
149.05968	0.7
149.33073	0.5
153.05444	2.4
153.14378	0.5
163.03812	0.5
163.06047	0.5
164.09175	2.8
173.06009	2.8
175.11119	0.5
177.05502	2.6
189.05646	0.5
219.06578	2.5
223.97604	0.7
234.96889	0.4
235.09647	0.5
252.98096	0.5
255.08621	0.9
273.09564	1.1
299.14905	0.7
309.11755	1.1
332.13461	0.6
396.01465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14578	0.6
52.33601	0.5
55.05500	0.9
57.03468	0.5
57.07063	3.5
64.33196	0.5
65.92833	0.6
67.05494	3.9
69.07047	2.8
71.08614	3.8
76.46103	0.6
79.05488	2.6
81.07032	8.6
83.08623	0.7
91.05462	6.5
93.07027	9.6
95.04909	0.7
95.08585	7.9
97.06531	1.0
105.07015	33.0
106.07290	0.7
107.08580	7.5
109.10178	5.3
109.61499	0.6
111.08087	3.3
112.04087	0.6
112.04968	0.6
112.46329	0.6
117.07014	3.2
119.04916	3.3
119.08557	19.0
121.06487	8.8
121.10122	4.0
121.37835	0.7
123.11691	3.3
125.09639	1.2
126.10400	0.8
128.06245	0.8
129.06981	1.3
130.07738	0.9
131.08556	9.5
133.06432	0.9
133.10112	8.6
135.08058	7.3
135.11667	2.6
139.07507	1.1
142.07774	9.1
143.08537	2.4
145.10115	100.0
146.07234	7.3
146.10451	0.7
147.07994	1.4
147.11674	6.7
153.09079	1.3
153.12735	2.9
156.09302	0.8
157.10121	14.4
159.11671	11.8
161.09587	38.0
161.13220	1.5
163.14795	3.8
166.46100	0.7
168.15112	2.8
171.11699	0.9
175.11165	44.0
175.14624	1.0
194.17003	0.7
201.16364	48.0
203.17938	7.6
207.13701	0.8
217.15854	7.3
219.17465	1.1
221.15446	0.6
225.48645	0.6
232.65370	0.6
239.16534	0.7
298.88373	0.7
458.90979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19452	2.0
53.64409	2.4
55.05502	5.2
59.73166	2.3
64.33870	2.2
65.49786	2.3
67.05488	10.7
69.07056	18.0
77.25221	2.4
79.05486	10.5
81.07043	37.6
91.05466	13.2
93.07052	25.2
95.08591	54.0
105.07024	68.5
107.08587	35.6
109.10142	32.2
114.82890	2.7
119.08566	80.9
121.10122	23.7
123.11686	18.6
130.90698	2.4
133.10095	43.7
133.17268	2.8
135.11710	5.4
145.10120	10.1
147.11673	66.8
161.13243	19.7
163.14824	3.8
175.14839	2.4
190.77402	2.2
203.15050	2.6
203.17928	100.0
221.18900	5.3
271.39957	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20951	1.5
53.03939	1.9
55.05504	11.1
57.07058	9.8
61.38363	2.1
62.66592	1.9
67.05495	17.6
69.07047	26.9
71.04979	2.9
74.09679	2.0
78.13338	2.3
79.05470	12.1
81.07037	40.1
83.08620	4.8
91.05473	16.6
93.07029	46.7
95.04950	13.9
95.08582	38.2
97.06520	4.0
99.04450	3.1
99.82426	2.1
103.74756	2.4
104.82188	2.3
105.07024	89.5
105.07748	3.0
107.08579	47.3
109.06517	4.3
109.10141	27.9
111.08121	2.5
115.83584	2.2
117.07014	13.4
119.08559	50.8
121.06485	19.3
121.10127	25.9
123.08051	3.0
123.11704	12.3
129.06975	2.6
130.07748	2.2
131.08571	19.0
133.10120	18.0
135.08046	20.8
135.11690	28.8
139.07538	12.4
143.08553	2.6
145.10117	100.0
147.11699	19.1
149.09575	2.3
149.13283	8.9
159.11661	28.4
161.09659	3.1
161.13245	4.7
163.11137	5.0
172.12445	2.6
173.13272	2.0
175.14804	10.2
177.12796	2.9
191.17924	16.3
195.13814	5.3
201.16331	39.1
203.17929	4.8
219.17416	27.5
221.15337	3.2
223.13268	5.2
239.16394	4.2
243.52066	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16575	0.5
53.00295	1.0
53.63178	0.5
54.82154	0.6
55.05506	16.8
57.03427	13.6
57.07062	1.2
60.80400	0.5
65.03914	1.0
67.05492	47.2
69.03416	1.0
69.07051	14.6
69.96865	0.5
71.04954	0.9
72.91176	0.5
79.05478	25.1
81.07037	43.8
83.04958	1.0
83.08597	3.9
85.06504	0.7
91.05453	14.4
93.07020	29.8
95.04948	4.1
95.08585	32.1
97.06493	2.6
98.98475	0.8
105.07006	9.9
107.08570	11.6
109.10136	10.5
111.08075	0.8
117.06950	2.4
119.08559	7.6
121.06477	0.8
121.10120	9.9
123.11671	2.9
127.19380	0.5
131.08542	4.6
133.10094	4.4
135.07999	0.7
135.11662	5.2
145.10126	4.2
147.11647	2.2
149.13289	1.2
154.57196	0.6
159.11696	1.0
161.13219	1.0
173.13205	0.8
177.08910	1.2
216.06355	0.7
253.07227	0.7
304.26309	1.4
309.13724	0.8
335.25729	100.0
336.26178	1.1
359.62219	0.6
398.54672	0.6
476.26947	1.1
487.95703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01868	2.0
55.05503	3.0
57.03422	5.5
61.02906	2.9
65.03913	2.7
67.05490	8.9
69.03413	27.9
69.07048	1.4
71.04982	16.9
73.02892	1.8
74.76081	1.5
79.05470	5.1
81.03391	6.1
81.07028	2.9
83.04984	8.9
85.02892	56.6
87.04468	2.3
91.05458	11.6
93.03386	5.8
93.07021	16.0
95.04950	17.5
95.08585	31.7
97.02882	14.5
97.06509	2.8
99.04439	24.4
105.06364	1.7
105.07015	25.5
107.04885	1.4
107.08587	26.9
109.02848	6.4
109.06477	2.7
109.10114	1.8
111.04428	33.0
111.07996	1.5
113.05936	1.3
115.05432	1.8
117.07000	6.1
119.04916	5.9
119.08562	40.7
121.02830	5.2
121.06462	9.8
121.10138	1.8
123.04411	5.3
123.08049	40.9
127.03886	8.9
128.06207	2.2
129.06978	7.7
130.07779	1.8
131.08566	26.4
133.06461	5.3
133.10106	12.2
135.08018	24.8
135.11676	1.3
137.05968	2.7
137.09634	1.4
139.03859	16.6
139.07529	2.1
140.04332	1.2
141.06987	2.3
142.07771	1.9
143.08563	14.2
144.09355	2.9
145.04939	2.1
145.06436	5.0
145.10106	38.4
147.04398	6.0
147.08057	12.3
147.11691	10.0
149.05966	5.1
153.09079	3.2
155.08510	4.7
156.09311	22.6
157.10107	12.2
158.07269	9.7
159.08025	9.3
159.11665	32.6
161.09644	7.5
161.13243	8.5
163.07451	1.6
163.11186	1.3
165.09160	1.4
169.08585	9.2
169.10126	7.4
171.11650	32.1
172.08821	5.9
173.09589	35.4
173.13205	9.0
175.07542	6.7
175.11169	14.5
177.12648	4.4
181.05084	1.6
181.10066	2.7
182.07169	1.9
184.08806	4.5
187.11156	25.4
189.12717	15.4
191.10707	9.3
193.08635	4.6
197.09549	9.2
199.11150	42.9
201.09142	1.7
203.10515	1.6
205.12257	21.8
207.13777	3.0
215.10660	38.2
217.12198	25.5
219.10147	6.0
225.09068	1.9
233.11700	25.3
235.13284	6.2
243.10065	10.0
251.12773	8.7
253.14110	2.4
261.11194	36.7
267.40408	1.5
279.09064	2.3
279.12219	65.9
297.13269	100.0
450.05136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66223	0.8
53.00302	0.8
53.03931	1.5
55.01864	26.0
55.05487	1.0
57.03429	40.5
59.04974	5.7
60.04506	0.8
61.02915	21.6
65.32078	0.8
65.47577	0.8
69.03413	43.5
71.01334	9.3
71.04977	1.7
72.04506	1.9
73.02899	61.6
79.05476	1.8
81.03402	9.5
85.02890	100.0
87.04451	6.8
88.98544	0.9
91.03944	4.2
95.04932	0.8
95.08586	1.1
97.02869	54.1
99.04428	4.2
101.02399	0.9
103.03940	4.4
105.07014	30.2
109.02850	9.7
109.06493	3.5
114.05511	1.1
115.03915	25.9
115.05421	1.1
119.08575	1.0
124.05193	46.0
124.06101	1.6
124.15811	0.9
127.03886	19.8
132.06555	1.8
133.04961	25.3
133.06453	20.9
133.10078	0.9
137.05956	39.3
144.06541	1.8
145.04950	23.8
147.27142	0.9
150.07648	1.7
162.07637	1.2
163.05984	6.5
165.09079	67.3
169.06436	0.8
172.11826	1.0
187.07564	1.2
189.09032	0.9
201.09137	1.1
223.06001	2.1
241.07018	3.6
243.10175	1.8
259.08057	4.7
485.58411	0.9
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
53.03950	3.2
55.01873	25.6
55.05508	3.8
57.03432	37.0
59.04985	6.4
61.02909	15.3
66.48314	2.4
67.05511	5.0
69.03419	47.6
71.01316	4.9
71.04977	2.7
73.02905	56.1
79.05489	9.8
80.05717	2.4
81.03393	5.6
81.07050	13.8
83.04954	3.2
85.02892	100.0
87.04443	10.2
89.57447	2.5
91.03945	2.8
93.07024	5.9
95.08573	4.1
96.95871	3.3
97.02859	55.2
99.04428	3.7
103.03920	3.1
105.07023	38.5
107.08569	4.5
109.02885	5.0
109.06495	3.1
109.10157	3.2
115.03918	24.0
117.06959	2.7
119.08553	40.8
121.06473	3.8
121.10115	2.8
127.03864	20.2
133.04980	28.4
133.06480	46.7
133.10138	5.0
135.32297	2.6
136.07492	3.0
137.05949	39.0
144.06554	3.3
145.04948	20.7
145.10141	3.0
163.05972	4.6
165.09091	83.1
176.54890	2.6
197.08018	3.6
259.08124	3.6
279.15695	3.4
317.06787	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	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01872	2.2
55.04109	0.9
55.05503	1.7
57.03428	46.1
59.04982	7.3
60.04507	2.5
61.02909	7.5
66.89139	1.2
67.05495	1.4
68.88987	1.1
69.03417	100.0
69.07045	1.2
71.04964	1.9
73.02899	27.4
75.04457	7.7
75.10940	1.1
79.05484	4.9
81.03400	5.5
81.07027	2.8
83.04964	7.1
85.02890	85.8
87.03940	2.1
87.04453	60.5
91.05470	2.1
93.07018	4.5
93.84170	1.1
95.04959	1.7
95.08582	2.5
97.02869	77.1
97.50751	1.2
98.97575	2.0
103.05450	1.3
105.03375	1.2
105.07011	28.9
107.08580	4.1
109.02872	2.6
109.06529	1.7
109.10144	1.9
115.03903	60.9
117.05381	1.1
119.08577	4.5
121.10145	1.3
123.04385	1.3
127.03907	6.9
128.06227	1.3
129.06952	1.7
131.04890	1.5
131.08568	1.6
133.04950	52.6
133.06447	29.5
133.10045	4.4
137.05956	38.3
144.06593	1.5
145.04976	11.5
145.06448	5.2
147.08099	2.5
150.07582	7.7
151.07549	1.7
152.07950	1.1
161.09612	1.4
162.07637	1.6
163.07520	2.6
165.09081	43.9
173.09608	1.3
175.07454	1.7
175.14796	1.9
177.09093	6.2
189.09012	2.2
191.10620	2.0
201.09166	1.5
207.10086	2.5
223.06270	1.2
241.07005	2.5
249.11453	1.2
259.08096	2.0
298.11496	1.6
311.12436	1.8
343.15240	1.9
344.15591	2.4
363.05496	1.3
476.32947	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47104	0.5
55.01854	0.6
57.03426	11.9
59.04981	2.5
60.04506	0.9
61.02908	0.8
67.05495	0.5
67.67263	0.5
69.03413	33.4
71.04948	0.8
73.02885	1.0
75.04474	1.5
79.62154	0.6
81.03407	0.9
83.05024	0.5
85.02889	24.8
86.09694	0.6
87.04446	20.7
91.05453	3.3
93.07010	0.8
95.04931	0.7
97.02870	22.7
99.04412	0.9
105.07044	1.1
115.03148	1.2
115.03905	23.2
119.04907	15.9
119.08568	0.6
121.06466	0.6
123.04491	0.8
127.03871	2.6
133.04939	18.2
137.05930	2.4
143.04918	1.0
145.04936	2.4
145.06380	0.7
145.10077	1.3
147.04387	100.0
150.07594	2.4
157.06509	0.7
161.06024	2.2
165.05429	28.1
171.04404	1.1
177.05431	0.6
187.07573	0.8
189.05447	4.8
189.09039	0.8
197.06146	0.8
201.05560	0.6
207.06470	4.0
243.06490	1.2
259.60175	0.6
261.11319	1.0
279.08560	4.4
279.12119	2.8
297.13428	0.7
336.84277	0.8
397.35410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01867	2.8
55.05506	1.3
55.76527	0.6
57.03424	0.7
59.80265	0.6
61.02911	1.1
63.03739	0.7
65.03940	0.9
67.05494	7.9
69.03123	0.8
69.03424	14.3
73.02890	0.9
75.67693	0.6
76.67123	0.6
79.05483	1.2
81.03404	3.5
81.07055	3.7
82.99253	0.8
83.01315	0.8
83.04968	5.8
83.05389	0.7
84.03587	0.6
85.02887	14.5
91.05465	4.3
92.91059	0.8
93.07023	2.9
95.04948	24.2
95.08593	11.9
97.02872	4.9
105.07027	8.6
105.64509	0.7
107.04956	1.2
107.08592	8.4
108.05733	3.1
109.02866	3.1
109.06494	1.0
111.04429	18.4
115.05492	0.9
117.06996	1.2
119.08591	9.3
121.02874	1.5
121.06471	4.2
123.04453	0.8
123.08051	92.5
127.03932	1.5
128.06184	3.2
129.06979	5.2
131.08539	8.1
133.06488	0.9
133.10103	4.4
135.08035	8.7
139.03885	1.2
141.06987	4.7
142.07776	4.1
143.08546	13.5
144.09337	2.9
145.06488	1.0
145.10109	7.1
146.07320	1.2
147.08020	6.3
147.11650	1.4
149.05989	1.1
154.07748	1.3
155.08539	4.3
156.09320	34.2
157.10094	4.9
158.07285	1.3
158.10902	1.1
159.08057	4.4
159.11664	8.5
161.09598	4.9
161.13188	1.3
165.06987	1.1
166.07767	3.8
169.06454	1.0
169.10066	6.5
171.08046	0.8
171.11662	38.0
172.08859	5.0
173.09578	6.7
173.13203	4.0
175.07512	3.7
175.11163	1.4
179.08546	1.4
181.10097	6.5
182.07286	1.6
184.08800	10.8
187.11124	11.8
189.12729	7.8
197.09557	12.2
199.11156	96.4
209.83815	0.8
215.08727	1.5
215.10657	26.9
217.12221	39.8
233.11685	1.7
243.10101	5.3
261.11176	100.0
279.12210	19.9
281.12515	0.8
305.12997	0.7
347.53619	0.9
377.42960	0.8
468.18634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03933	0.4
55.01861	0.8
57.03173	0.6
57.03429	11.4
59.04983	1.6
60.04505	0.9
61.02909	1.0
65.03949	0.4
69.03416	29.8
72.18788	0.4
73.02885	1.0
75.04445	1.0
80.45849	0.4
81.03384	0.9
81.44926	0.4
83.04938	0.5
85.02890	24.0
87.03937	0.8
87.04448	16.5
91.05460	4.3
95.04913	0.6
97.02868	23.3
97.03498	0.9
99.04432	0.8
105.07030	0.6
111.04382	0.6
115.03912	20.5
119.04917	17.3
119.08518	0.5
123.04393	0.5
126.89352	0.4
127.03902	0.9
133.04944	14.6
137.05963	0.5
139.03934	0.5
145.04904	1.0
145.06444	0.5
147.04390	100.0
148.04764	0.7
150.07593	2.7
157.06454	0.6
157.10156	0.5
159.11636	0.6
161.05968	2.1
165.05444	31.1
167.03380	0.5
171.04396	2.1
177.09094	0.5
189.05432	6.4
189.09062	0.8
201.05437	0.6
205.92972	0.4
207.06448	5.3
215.06924	0.6
215.10629	0.6
220.08167	0.4
220.10349	0.4
233.11615	0.6
243.06467	0.9
261.07565	1.9
261.11230	0.8
279.08557	4.0
279.11993	1.6
295.10193	0.6
296.83194	0.4
296.92108	0.4
297.13309	0.6
309.09491	0.6
335.97342	0.4
367.63531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.3
53.03941	2.4
55.01884	5.0
55.05505	20.3
56.96563	1.8
57.03424	1.8
57.07071	7.1
59.05009	5.8
63.17682	1.4
65.03932	1.6
65.88230	1.3
67.05494	98.1
68.99261	1.5
69.03415	1.9
69.07059	24.1
71.04984	9.6
71.87198	1.7
74.25746	1.4
78.87490	1.5
78.97591	1.3
79.05477	56.5
81.03426	1.9
81.07046	98.6
83.04961	11.3
83.08623	8.4
85.02930	1.8
85.06516	7.5
91.05469	57.5
93.07030	100.0
95.04957	20.8
95.08585	38.2
97.06517	8.5
97.10182	3.4
99.04435	3.9
105.07018	57.5
106.07349	2.4
107.08582	65.1
109.06505	11.8
109.10160	20.4
111.08084	3.6
115.05467	1.7
117.07033	10.3
119.08572	42.4
121.06494	3.7
121.10127	25.3
123.08028	3.3
123.11686	29.7
125.09628	8.4
127.07667	1.7
128.06223	1.8
129.06978	10.2
131.08546	19.1
133.06508	1.8
133.10103	37.2
135.08060	15.0
135.11670	14.2
137.09599	3.4
137.13231	1.8
142.07718	2.2
143.08566	8.1
145.10104	11.1
147.08055	8.5
147.11687	31.6
149.09633	6.6
149.13274	7.0
151.11229	2.0
153.09096	17.8
155.10681	2.2
156.35812	1.6
157.10129	8.9
159.11688	8.4
161.09604	8.7
161.13255	8.2
163.11166	1.9
163.14842	8.1
165.09029	1.9
171.10138	6.4
171.11685	15.2
173.13252	2.2
174.76595	1.6
175.11180	6.5
175.14816	7.9
185.13289	6.4
189.12735	6.6
189.16420	2.3
193.12163	6.6
207.13779	12.3
217.19499	13.6
221.15282	3.7
231.17503	2.2
231.21083	2.5
236.93254	1.7
241.19551	6.4
259.20541	6.6
277.21594	65.0
299.46594	1.7
474.24573	2.5
475.26733	2.5
489.26059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53838	1.2
51.51598	1.0
55.05489	2.9
57.07063	6.2
67.05484	2.8
67.17245	1.1
69.07050	6.7
71.04948	1.5
71.08612	6.1
73.51541	1.2
79.05492	2.8
81.07038	14.3
85.06513	1.3
91.05483	2.8
93.07025	12.1
95.08577	12.3
105.07014	20.6
107.08565	12.1
107.50663	1.3
109.10137	9.0
109.39165	1.3
117.06950	2.2
119.08542	17.8
121.06472	7.0
121.10130	12.3
122.10419	2.1
131.08495	12.5
133.10123	9.8
135.08047	2.7
135.11684	1.5
137.09518	1.4
145.10101	100.0
146.07242	1.7
147.07982	2.4
147.11639	9.0
149.13191	1.8
157.10065	5.4
159.11632	16.0
161.09595	17.2
161.13232	2.5
163.11069	1.8
165.09113	1.5
175.11131	9.7
175.14922	1.4
197.15338	2.4
201.16333	45.2
203.17929	6.1
217.15918	2.1
219.17480	3.1
282.27756	1.3
287.55206	1.6
318.07742	1.4
355.45038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44570	2.1
55.05506	10.3
56.52370	2.0
57.07060	6.0
67.05498	17.7
69.03408	2.8
69.07063	20.3
71.89563	2.3
79.05471	17.4
81.07042	47.9
82.16022	2.1
83.08611	4.8
85.06541	3.3
88.81042	2.4
91.05471	35.4
92.08581	4.2
92.24452	2.2
93.07029	58.7
95.04966	12.3
95.08595	42.7
97.06554	3.2
105.07021	100.0
107.04958	19.5
107.08584	68.5
109.06523	10.3
109.10161	28.9
117.06991	16.5
119.08575	95.1
120.08971	3.1
121.06493	53.3
121.10135	34.4
123.11715	10.0
131.08548	17.3
133.10129	32.1
135.08040	15.1
135.11691	36.8
137.09563	2.9
145.10123	48.0
147.08018	2.6
147.11633	25.8
149.09613	4.6
149.13272	10.2
153.09126	2.4
159.11690	36.7
161.13245	21.9
163.11137	21.6
173.13263	2.9
175.14824	15.1
177.12720	2.9
177.16356	5.8
191.17917	2.6
201.16423	28.1
203.17935	38.7
208.99409	2.4
219.17406	33.6
237.18451	63.9
358.01144	2.5
362.23090	2.7
437.18890	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	475.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03946	0.8
53.78535	0.1
55.01861	0.3
55.05514	1.1
55.25582	0.1
56.05824	0.1
56.34209	0.1
56.96563	0.3
57.03431	0.3
57.07069	0.2
57.32444	0.1
57.70258	0.1
59.04987	0.3
64.33622	0.1
65.03929	0.2
67.05494	1.6
68.88825	0.1
69.03429	0.9
69.07068	0.8
69.99969	0.1
71.04988	1.1
77.03903	0.2
79.05482	1.6
80.05833	0.1
81.03394	0.3
81.07043	3.1
82.07387	0.2
83.04976	1.0
83.08608	0.2
85.02911	0.2
85.06539	0.3
91.05468	2.7
92.05779	0.1
92.09284	0.2
93.07029	3.9
94.07345	0.5
95.04953	3.3
95.08600	1.7
96.08916	0.2
97.06499	0.6
99.04452	0.8
102.04665	0.2
103.05458	54.6
104.05779	0.3
105.04527	0.6
105.07018	2.5
106.07358	0.2
107.04951	0.2
107.08591	2.7
108.08949	0.3
109.06519	1.2
109.10149	0.8
111.08080	0.7
111.90790	0.1
115.05436	0.3
117.06982	0.8
119.08576	1.5
120.08882	0.3
121.06488	0.2
121.10129	0.9
123.08086	0.2
123.11683	0.3
125.09648	0.2
128.06190	0.3
129.06985	0.8
130.07753	0.2
131.04916	100.0
131.08534	1.2
132.05251	1.0
133.10106	1.0
135.08049	0.6
135.11699	0.3
137.09592	0.2
141.06987	0.2
142.07803	0.2
143.08556	0.7
145.06502	0.3
145.10130	1.7
147.07974	0.2
147.11736	0.5
149.09700	0.5
151.07469	0.2
151.11191	0.2
155.08524	0.2
157.10123	0.2
159.08051	0.5
159.11664	0.5
161.05959	0.2
161.09566	0.6
163.11201	0.2
165.09103	0.2
169.09943	0.1
171.08038	0.2
173.09573	0.7
175.07501	0.2
175.11200	0.2
177.09062	0.3
187.07361	0.2
188.08257	0.2
189.09070	0.2
191.10612	0.2
193.08406	0.2
201.09062	0.2
247.09457	0.2
261.14252	0.2
279.08481	0.3
291.15723	0.2
307.15012	0.2
413.15939	1.0
417.95663	0.1
431.24191	0.2
443.24127	0.2
457.14899	5.9
475.26685	3.6
501.90622	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	473.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01866	1.6
55.05506	20.3
57.03425	1.3
58.76018	0.8
65.03941	1.0
67.05492	32.1
69.03413	5.0
69.06708	1.4
69.07056	21.6
71.04977	9.9
79.05478	34.6
81.07040	100.0
83.04961	2.0
83.08601	8.6
87.90199	0.7
91.05464	31.0
93.07024	73.9
95.04969	9.1
95.08585	81.3
97.06499	15.7
97.09584	0.8
97.10146	6.9
99.08080	1.2
105.07018	60.0
107.08580	83.2
109.06493	9.0
109.10146	34.4
111.08085	6.3
115.05456	1.4
117.07001	11.2
119.07713	1.6
119.08559	37.9
121.06435	1.2
121.10123	36.1
123.08035	6.3
123.11659	6.5
125.09601	8.7
126.34488	0.9
129.06972	2.1
130.07762	5.8
131.08546	23.2
133.10107	21.4
135.08043	3.6
135.11652	12.8
137.09616	1.3
143.08531	4.7
144.09349	4.5
145.08968	1.5
145.10115	44.5
147.11664	10.1
149.09572	2.0
149.13246	16.4
151.11188	6.6
157.10120	5.1
158.10931	1.7
159.11664	36.5
161.13240	14.2
163.11163	1.7
167.14301	1.5
169.10086	1.7
171.11591	1.3
173.13213	10.4
175.14824	6.0
177.12733	1.4
177.16248	1.0
185.13246	1.3
191.14305	1.1
191.17973	2.1
201.16330	31.2
219.17424	19.5
275.20047	4.7
288.57611	0.9
398.72083	0.9
401.07800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
61.02909	0.4
63.58884	0.2
69.03403	1.1
81.03389	0.4
83.87722	0.2
85.02895	4.8
86.06039	0.2
91.05461	3.6
93.07012	6.1
95.04941	1.3
97.02863	1.8
103.05451	3.5
109.02850	0.4
120.08094	1.0
121.06480	100.0
122.06806	0.3
127.03940	0.4
128.33588	0.2
129.84984	0.3
145.04951	0.4
147.04401	1.0
167.07097	0.3
181.25124	0.3
193.00285	0.2
277.10635	2.7
298.63559	0.2
304.30450	0.3
439.51950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.9
53.03926	3.3
55.05508	16.3
57.03415	0.9
57.07062	1.9
64.84281	0.7
65.03934	1.2
66.80676	0.7
67.05151	1.4
67.05494	31.7
67.93205	0.7
69.03400	4.5
69.07052	22.8
71.04976	11.7
79.05050	1.2
79.05472	28.4
81.07037	100.0
83.04943	1.6
83.08595	7.1
83.67691	0.9
88.89516	0.7
88.91290	0.8
91.05460	25.2
93.07020	69.5
95.04965	6.8
95.08583	71.5
97.06501	14.4
97.10151	3.8
105.07014	58.0
107.08579	84.6
109.06502	6.5
109.10142	35.4
111.08059	6.7
112.39996	0.8
117.06992	9.6
119.07709	1.6
119.08558	35.5
121.06525	1.1
121.09250	1.6
121.10120	38.5
123.08035	5.8
123.11674	6.5
125.09594	8.9
129.07001	3.7
130.07800	6.9
131.08540	23.0
133.10117	19.8
135.08061	1.1
135.11682	9.3
137.09636	1.7
143.08543	4.1
144.09311	2.1
145.10107	44.6
147.11670	10.2
149.09668	2.8
149.13245	14.0
151.11165	4.7
157.10091	1.9
159.11676	28.8
161.13203	12.9
163.11084	2.0
167.14288	1.9
173.13203	11.6
175.14780	5.3
177.12674	1.6
191.17883	1.7
201.16362	31.2
219.17412	19.2
366.21857	0.9
396.72202	0.9
492.82880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.5
53.03936	3.2
55.01846	0.8
55.05234	0.7
55.05504	18.8
57.03436	0.7
57.07060	1.2
65.03925	2.4
67.05490	30.9
69.03423	4.7
69.07056	21.9
71.04974	14.2
78.89407	0.5
79.05000	0.7
79.05472	29.8
81.07037	100.0
83.08610	6.1
85.06547	1.2
89.30618	0.7
91.05461	26.7
93.07020	66.9
95.04936	7.8
95.08582	76.7
97.06508	17.5
97.10136	5.0
103.05442	0.9
105.04528	0.9
105.07009	61.9
107.08573	84.8
109.06496	6.0
109.10138	32.0
111.08041	7.7
115.05437	0.9
117.06997	12.2
119.06066	0.6
119.08559	38.2
121.06527	1.4
121.10111	41.6
123.08064	5.9
123.11677	8.4
125.09608	9.9
128.06190	0.6
129.06973	2.9
130.07764	6.8
131.08537	26.3
133.09180	1.1
133.10109	22.4
135.08054	2.8
135.11661	12.5
137.09625	1.3
137.13252	0.7
142.07776	0.7
143.08539	3.7
144.09360	5.2
145.10101	43.4
146.10849	0.9
147.11665	10.2
149.09563	2.3
149.13237	16.5
151.11165	4.3
157.10104	3.5
158.10918	1.1
159.11650	34.5
161.13216	15.1
163.11174	2.8
163.14766	1.2
167.14294	1.2
169.10011	0.8
171.11723	0.8
173.13205	12.7
175.14796	3.5
177.12663	0.7
191.14294	1.1
191.17915	3.5
199.14857	0.8
201.16347	31.8
219.17398	19.3
237.48474	0.7
281.63583	0.7
338.18436	0.6
463.88187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1991
Annotation	Met Trp His
Peak:m/z	Relative Intensity
53.61885	0.5
58.16763	0.4
69.03424	0.7
69.07058	1.2
79.05440	0.5
85.02901	2.0
100.88861	0.5
119.08515	0.5
143.03096	1.0
203.05254	9.9
221.03862	0.5
249.14600	6.2
276.42474	0.5
293.13406	2.2
311.14627	24.2
330.18723	0.5
411.19589	0.6
458.11087	0.5
473.19821	100.0
474.19855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.05507	23.3
57.07064	13.8
67.05502	30.6
69.03381	10.2
69.07059	40.2
71.04979	5.4
71.90566	2.3
79.05482	35.3
81.03391	2.7
81.06595	4.8
81.07040	78.7
83.04993	3.2
83.08607	15.1
85.02876	3.2
85.06516	4.1
91.05474	41.1
93.07029	100.0
94.07332	3.2
95.04969	36.2
95.08591	61.3
97.06492	14.0
105.07011	100.0
107.08592	77.6
107.53839	2.9
109.06520	6.6
109.10145	44.0
111.08108	3.2
117.07002	26.1
119.08567	98.0
121.06512	20.2
121.10107	49.3
123.08073	6.6
123.11727	17.9
129.06970	4.4
130.07784	4.3
131.08537	37.7
133.10098	49.9
135.08035	24.0
135.11664	47.5
137.09572	5.8
139.07532	3.8
143.08551	14.4
144.09407	3.5
145.10123	72.9
147.11687	37.9
149.13248	35.7
151.11122	3.8
157.10085	13.1
159.11687	43.7
161.09644	3.4
161.13235	27.7
163.11183	6.7
173.13249	13.9
175.14838	22.4
177.12735	29.5
177.16380	11.6
178.17105	4.2
191.17920	22.7
193.15932	5.0
199.14816	11.8
200.15169	3.8
201.16368	24.9
203.17912	37.5
215.17899	3.3
217.15892	3.4
219.17352	32.0
220.18102	5.0
221.19183	4.9
235.16902	6.2
237.18475	11.6
247.79475	3.0
286.09982	2.8
295.06320	2.8
342.87833	2.8
455.34824	5.1
460.76895	3.8
461.37903	2.9
473.34750	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03930	0.4
55.01853	0.4
55.05504	1.6
57.03434	0.5
57.07076	0.5
60.04887	0.3
67.05482	1.0
69.03409	0.6
69.07059	3.4
79.05463	2.1
81.07029	6.8
82.07361	0.7
83.04945	0.6
83.08564	0.5
84.55463	0.4
85.02897	0.7
85.81095	0.4
91.05458	2.3
93.07027	4.0
95.04987	1.5
95.08557	3.0
97.06521	0.6
101.38997	0.4
105.07016	3.1
107.04981	0.5
107.08579	3.1
109.06467	0.7
109.10129	1.5
116.98589	0.5
117.07001	0.7
119.08561	2.9
121.10126	1.7
123.08015	0.7
123.11691	0.5
125.06013	0.5
127.03789	0.4
131.08537	0.7
133.10092	0.8
135.11671	0.6
137.05949	1.8
140.66815	0.4
145.10168	1.1
147.11583	0.5
157.10132	0.6
159.11664	0.8
162.44344	0.5
165.09067	0.5
179.78593	0.5
203.05434	0.5
275.07440	0.8
291.15964	0.6
317.08359	0.6
333.07800	5.9
335.09409	13.1
339.17853	1.0
385.47659	0.5
464.87692	0.5
465.62289	0.5
471.21921	100.0
472.22177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09761	1.0
51.53861	1.1
52.29222	1.2
52.43423	1.0
54.81453	1.4
55.05510	10.5
55.07359	1.1
57.07051	6.5
65.03938	1.3
67.05495	17.9
69.03417	2.1
69.07062	26.0
71.04958	1.7
79.05488	12.7
81.06606	2.2
81.07046	33.3
83.04959	1.8
83.08609	7.7
91.05473	18.5
93.07037	32.5
95.04929	3.2
95.08602	32.4
97.06554	2.4
105.07021	55.8
107.04971	2.1
107.08578	30.6
109.06496	7.1
109.10159	23.6
111.04422	2.8
115.05368	1.6
117.07012	15.9
119.08572	65.2
121.06491	27.6
121.10143	20.1
123.04377	2.9
123.08064	8.1
123.11716	7.4
127.98518	1.3
129.07005	2.7
130.07767	7.1
131.08537	18.6
133.10124	19.9
135.08041	39.8
135.11641	12.0
137.09605	2.9
137.13243	5.7
137.54337	1.7
139.07516	5.2
142.07767	2.0
143.08566	7.7
144.09294	1.7
145.10123	100.0
147.01631	1.3
147.07016	1.4
147.08028	8.2
147.11716	12.7
149.09619	5.4
149.13240	3.2
153.09065	1.6
157.10107	7.0
159.11700	28.2
161.09598	6.6
161.13219	5.4
163.11108	2.7
165.09076	8.2
173.13220	2.1
175.11180	2.9
175.14825	8.8
189.16399	8.7
191.17908	6.2
201.16405	19.8
203.17892	5.9
205.15889	2.2
217.15736	4.8
219.17453	12.7
235.16884	3.2
374.04156	1.8
453.33212	2.1
471.34848	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74576	2.0
55.01862	2.3
55.05495	5.5
55.16578	2.3
57.03421	14.0
59.04992	100.0
67.05477	13.2
69.03410	3.4
71.04977	52.9
71.47509	2.0
71.72389	2.1
73.02889	4.1
74.02650	2.6
75.04456	3.0
79.05476	9.9
79.16000	2.1
81.03410	4.7
81.07048	22.0
82.03682	2.2
83.04977	23.7
85.02888	82.7
85.06527	87.4
87.04434	9.7
91.05431	3.2
91.73965	2.3
93.07020	9.9
95.04939	3.0
95.08581	11.3
97.02869	4.7
97.06476	4.6
99.04427	5.6
101.05998	87.0
103.03909	11.4
105.07047	2.7
107.08557	2.6
109.06490	11.9
111.04427	5.9
121.10136	3.6
123.04399	3.7
123.11655	4.2
127.03861	4.0
127.07522	69.6
127.45519	2.3
129.05437	12.3
135.02028	2.4
139.03920	3.9
139.11151	4.3
141.09033	2.5
145.08582	69.7
147.06482	5.9
159.11641	4.5
163.09627	46.0
177.06580	2.4
237.14638	3.1
255.15804	3.5
258.29877	2.3
273.16931	13.9
337.72388	2.8
359.85727	2.4
471.13782	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	468.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57502	0.9
53.03930	1.5
55.01863	1.6
55.05498	11.6
57.07063	5.8
59.04988	1.3
65.03917	1.3
67.05491	15.8
69.03429	5.0
69.07050	22.8
71.04970	19.2
77.14703	1.2
79.05473	22.3
81.07039	49.7
83.04969	9.2
83.08600	6.3
85.06533	12.3
89.69591	1.2
91.05466	25.7
93.07022	43.9
95.04932	16.7
95.08583	37.5
97.06514	9.1
97.10142	4.7
99.04433	2.0
105.07011	47.3
107.08576	60.9
109.06512	19.3
109.10151	28.3
111.04395	4.3
111.08023	2.2
117.06979	12.6
119.08566	48.8
121.06491	8.5
121.10125	31.2
123.08049	6.9
123.11696	9.9
125.05929	1.7
125.09576	2.4
127.07564	5.5
129.06973	2.6
130.07697	1.6
131.08548	17.4
133.10115	46.8
135.08032	14.9
135.11679	25.3
137.09624	5.8
137.13263	1.9
142.07755	2.1
143.08571	2.6
145.10103	37.5
147.07999	2.1
147.11693	7.1
149.09608	12.6
149.13271	8.4
151.11177	2.7
153.12703	1.7
157.10103	5.6
159.11659	35.2
161.09567	6.5
161.13239	13.1
163.11142	14.1
163.14830	1.8
165.09148	1.3
173.13228	6.1
175.11205	1.8
175.14774	39.1
176.11893	1.3
177.12723	6.7
177.16350	6.9
179.10628	9.2
179.14267	2.1
191.17911	16.8
199.14780	2.1
201.16371	38.7
219.17401	100.0
237.18449	55.9
270.80161	1.2
291.40408	1.4
369.43137	1.3
485.35703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38197	1.1
56.96536	2.1
62.80759	0.9
67.05495	1.0
69.03398	1.3
71.04974	1.2
81.06996	1.2
85.02875	2.0
93.06985	1.3
102.00039	1.3
104.01226	1.0
123.04432	2.0
127.03888	2.6
130.92738	1.1
133.06380	1.1
139.03876	5.4
146.80484	1.1
151.03828	1.7
163.13368	1.3
245.04503	2.5
245.46294	1.2
253.00002	1.7
271.01218	1.9
317.08380	1.7
370.51050	1.2
385.28232	1.3
469.12930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2041
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
53.03941	0.3
55.01876	0.5
55.05499	0.6
56.96531	0.4
57.03421	0.7
68.95384	0.4
69.03402	1.4
69.07049	1.9
71.01344	0.4
72.06379	0.4
73.02908	0.4
79.05463	1.6
81.07035	3.4
83.08601	0.4
85.02892	1.8
91.05466	1.7
93.07036	2.7
95.08568	1.8
97.02904	0.4
105.06995	2.4
107.08569	1.9
109.06528	0.7
109.10160	1.5
119.08553	2.3
120.65226	0.4
121.10127	0.7
123.11597	0.5
125.05983	0.5
127.03892	0.6
131.08556	0.5
133.04913	0.4
133.10080	0.7
135.11652	0.4
139.11154	0.5
144.09134	0.4
145.04958	0.3
145.10155	0.6
147.11688	0.9
157.10046	0.4
161.13187	0.4
162.46176	0.4
203.17926	0.5
263.34494	0.4
279.38043	0.5
307.15085	0.7
311.50436	0.4
333.07837	10.6
337.16110	2.5
351.97937	0.4
402.64609	0.4
469.20349	100.0
470.20651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.94304	0.5
55.01863	1.3
55.05510	4.7
55.52447	0.6
56.31041	0.5
57.07057	3.6
59.04982	1.3
67.05497	7.5
69.03408	0.7
69.07059	5.5
71.04980	1.3
71.08635	0.8
79.05476	9.3
81.07035	15.8
83.04961	4.3
83.08593	1.3
85.02901	0.8
85.06525	0.7
89.06018	40.2
91.05457	9.5
93.07025	14.8
94.07367	1.0
95.04946	5.1
95.08582	10.4
97.06496	2.4
97.10130	0.7
99.04459	0.9
103.05456	34.8
105.07008	11.8
107.07039	1.1
107.08586	13.9
109.06505	4.3
109.10155	6.5
111.08083	1.2
113.09619	0.5
117.06998	3.0
119.08566	8.6
121.06480	2.9
121.10127	6.2
123.08055	0.8
123.11694	0.8
125.09609	5.9
129.06984	3.1
131.04909	100.0
131.08551	4.9
132.05212	0.6
133.08591	14.4
133.10086	5.5
135.08035	1.4
135.11693	4.7
137.09569	0.8
139.07564	0.8
141.06961	0.8
143.08528	3.1
145.08958	1.0
145.10098	9.2
147.11703	2.4
149.09621	0.7
149.13211	0.9
151.11130	1.4
155.08571	1.2
155.49626	0.6
157.10075	3.6
159.11635	4.0
160.11205	4.4
161.09567	0.6
161.13190	2.5
162.68275	0.6
169.10089	0.9
171.11667	0.7
173.13237	2.8
175.14810	4.1
177.11218	4.3
177.12654	0.8
183.11600	0.8
189.12752	0.7
197.13289	0.9
199.14807	3.4
201.16357	2.4
203.17918	1.3
211.14873	0.9
216.17502	2.7
217.15863	0.8
219.17323	0.9
239.14743	1.1
257.18887	0.9
267.21121	1.1
283.17490	22.8
285.22049	7.6
303.23166	4.8
415.26465	1.0
433.27338	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	468.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01860	4.3
55.05500	5.2
57.03422	1.4
57.07067	0.7
59.04982	0.8
60.08156	8.8
61.02897	2.9
61.25102	0.6
65.03908	1.0
65.52320	0.6
67.05491	10.1
69.03410	8.6
69.07057	12.7
71.04977	6.3
71.07349	2.9
73.02908	1.1
79.05467	16.0
81.03395	1.2
81.07038	42.6
82.41154	0.7
83.04967	16.8
83.08601	6.4
83.19726	0.7
85.02884	13.5
85.06538	5.9
86.03212	0.9
86.09691	30.7
88.59381	0.8
91.05461	12.0
93.07021	52.5
95.04941	14.8
95.08086	0.7
95.08578	30.5
97.02886	2.8
97.06508	31.5
98.98448	3.1
99.04436	15.0
101.06004	1.4
104.10721	49.2
105.07011	34.3
107.04942	4.6
107.08572	26.2
109.02852	1.5
109.06507	31.1
109.10132	8.2
111.08057	17.8
113.05996	6.5
117.07000	3.0
119.08563	21.4
120.84480	0.7
121.06483	88.9
121.10099	5.3
123.04411	4.7
123.08055	6.5
123.11680	7.4
124.99983	18.3
125.05957	15.2
127.07539	13.5
129.06964	4.0
131.08549	5.3
133.04906	0.8
133.06461	4.4
133.10121	16.1
135.04393	5.2
135.08020	13.5
135.11678	1.1
137.05957	6.0
137.09595	2.8
139.07520	23.7
141.05466	1.7
142.07756	3.5
143.07011	9.0
143.08533	7.1
145.10133	7.4
147.08006	3.8
147.11665	53.1
149.09569	2.9
149.13249	1.8
151.07587	2.4
151.11171	6.5
153.01785	0.8
153.09085	1.7
155.06964	0.9
156.09328	3.5
157.06505	0.9
157.08577	11.6
157.10106	18.4
159.06496	2.9
159.07957	1.0
159.31651	0.7
161.05942	1.6
161.09583	1.3
161.13234	12.8
163.11208	1.2
163.14766	1.0
165.12704	20.6
166.07753	2.9
166.12933	0.8
168.17357	0.9
169.12207	11.5
171.08022	1.1
171.11652	19.2
173.08167	1.2
173.09613	2.7
175.11157	37.6
179.14267	1.1
181.10060	6.3
184.07307	46.3
184.08720	2.4
189.12709	26.1
193.12201	36.2
199.11140	35.6
199.13014	1.2
207.13728	12.8
211.13249	22.3
217.12206	77.1
225.14813	1.0
229.14334	5.2
232.05656	1.1
235.13242	68.2
253.14288	100.0
271.15347	28.4
271.18591	1.1
289.16391	29.7
289.19351	1.1
303.04922	1.1
304.05356	6.8
305.05435	5.7
306.05820	9.6
351.76044	0.7
374.19641	0.7
450.22299	2.9
468.23495	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	468.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89680	0.8
52.22395	0.7
53.03933	1.2
55.01862	3.7
55.05498	8.7
57.03428	3.8
59.04987	1.0
60.08153	18.3
61.02919	2.0
67.05491	13.2
69.03419	8.5
69.07052	15.7
71.04982	10.9
71.07357	5.5
73.02900	1.6
79.05474	21.2
81.03407	4.2
81.07041	47.1
81.12354	1.0
83.04971	16.2
83.08595	8.2
85.02892	18.2
85.06543	5.6
86.09690	57.0
91.05454	13.1
93.07024	56.6
95.04931	15.5
95.08588	30.1
95.23556	0.9
95.65301	1.0
97.02872	4.2
97.06516	33.2
98.98471	3.8
99.04430	16.4
99.08077	1.4
101.06005	1.4
104.10726	89.2
105.07014	38.8
107.04984	5.0
107.08578	32.2
109.06503	31.6
109.10131	9.3
111.04454	1.2
111.08068	20.9
113.05998	4.9
115.07526	1.0
117.06996	1.6
117.24518	1.0
118.51312	0.8
119.04929	1.1
119.08554	22.5
121.06486	92.5
121.10093	8.9
123.04429	4.6
123.08072	4.7
123.11662	10.3
124.99986	37.3
125.05972	17.2
127.03903	1.2
127.07544	13.8
129.07014	3.8
131.08536	6.0
133.06471	4.1
133.10104	19.3
135.04413	4.3
135.08044	12.9
135.11664	3.9
137.05971	6.1
137.09586	2.1
137.13234	1.6
138.02679	1.0
139.07521	24.4
139.11183	1.1
141.05426	1.5
142.07762	1.9
143.07013	8.6
143.08563	8.5
145.10109	7.9
147.08063	4.4
147.11673	57.1
149.09637	1.4
149.13255	3.9
151.07562	1.7
151.11168	5.3
153.09094	1.2
154.02147	1.2
155.06963	1.0
156.09312	3.8
157.06563	0.9
157.08603	9.6
157.10123	20.9
158.07306	1.2
159.06522	4.4
159.07967	1.0
161.09518	1.8
161.13237	11.4
165.06929	1.1
165.12715	21.5
169.12187	13.0
171.08105	1.0
171.11668	19.8
173.09550	1.6
173.13261	1.0
175.11147	38.3
175.12619	1.6
181.10123	6.1
184.07309	80.3
189.12718	24.5
193.12204	34.5
199.11145	33.2
199.12982	1.4
207.13777	14.2
211.13239	25.1
217.12204	79.5
229.04800	1.0
229.14308	5.3
230.05234	1.0
235.13248	68.6
253.14301	100.0
253.17856	2.8
271.15399	23.9
271.18726	2.9
271.79370	0.9
286.98151	0.9
289.16400	32.0
289.19336	1.1
303.04861	6.4
304.05286	13.2
305.05435	14.9
306.05756	22.9
315.65356	0.9
400.75983	1.2
405.63443	1.1
450.22366	5.0
468.23526	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01864	0.7
57.03427	11.4
61.02905	2.3
69.03407	4.6
73.02913	0.6
73.82854	0.5
75.04478	4.2
79.05476	4.0
81.03397	2.6
85.02883	13.8
86.09684	2.4
87.04441	0.6
91.05463	12.6
95.04960	0.7
97.02871	4.0
98.97593	0.5
107.04935	8.3
109.02866	0.8
111.04427	1.0
117.06999	0.9
119.04919	39.3
121.06479	6.4
122.03617	2.0
123.04411	3.2
125.06005	2.2
127.03895	2.8
131.04860	0.6
131.08577	0.5
135.04395	15.3
136.05190	0.6
137.05952	100.0
139.03862	0.6
142.16101	0.5
144.10214	0.5
145.04933	0.7
145.06505	1.0
147.04387	70.2
149.05960	10.9
151.07526	5.3
152.04665	25.0
161.05934	0.7
161.09561	0.5
163.03873	0.6
163.07538	1.1
164.04684	2.7
165.05444	6.7
166.06186	3.4
167.07001	27.6
171.40741	0.5
175.07486	4.3
179.07001	34.1
189.09117	0.7
193.08549	0.6
197.08018	5.9
205.08521	0.6
223.09619	1.1
233.42505	0.5
235.09721	2.4
237.11240	0.7
241.10651	46.5
253.10655	5.0
271.11740	14.1
450.78531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
54.81506	0.4
55.01856	2.5
55.05496	4.5
57.03424	5.2
57.07059	0.6
59.04985	2.3
61.02896	2.3
67.05481	1.0
69.03413	6.3
69.07062	5.0
71.04973	2.3
73.02552	0.5
73.02898	5.2
74.45029	0.4
75.95992	0.4
79.05470	15.5
81.07036	40.8
83.04958	7.8
83.08586	0.5
85.02890	12.7
87.04462	0.6
91.05450	2.2
93.07021	39.4
95.04954	1.0
95.08589	10.7
97.02868	6.3
97.06505	2.4
97.10149	1.0
101.32340	0.5
105.07013	3.1
108.16331	0.5
109.02837	1.1
111.16104	0.6
115.03931	3.6
119.08591	0.9
121.10117	100.0
122.10439	0.7
123.08059	0.6
127.03899	2.9
131.13628	0.5
132.06555	0.5
133.04955	2.7
139.11156	55.6
140.11475	0.7
141.37611	0.5
145.04912	2.1
163.05948	0.9
188.32867	0.5
235.16789	0.5
243.21706	0.5
253.14255	0.5
294.00168	0.5
295.10153	0.6
473.07895	0.5
491.14157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
57.03436	0.1
61.02906	0.1
68.96107	0.1
69.03417	0.2
69.37403	0.1
70.10524	0.1
71.01315	0.1
72.35647	0.1
73.34050	0.1
75.37871	0.1
79.05475	0.7
85.02884	0.6
87.04436	0.1
91.05437	0.5
92.08683	0.2
93.07029	1.3
95.04925	0.3
97.02858	0.4
98.97596	0.1
100.04953	0.1
103.05442	5.9
107.04932	2.3
107.08614	0.1
113.55854	0.1
115.03873	0.1
118.06516	0.1
119.04871	0.1
120.08080	100.0
121.08419	0.8
123.04401	3.4
130.83438	0.1
131.04906	3.1
132.95761	0.1
137.05939	0.6
139.03880	0.2
141.05434	1.7
147.04420	0.2
149.05939	1.8
155.03348	0.1
166.08603	24.7
179.06947	0.1
186.96832	0.1
197.07997	0.1
245.09904	0.7
246.10185	0.6
285.93265	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	467.1183
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
55.01852	1.4
55.05492	0.5
57.03410	1.6
61.02907	1.7
65.03923	0.7
67.01859	0.8
67.05471	1.3
68.99772	2.0
69.03413	5.0
69.07033	0.3
70.64278	0.3
71.04971	0.7
73.02897	1.3
74.35555	0.3
74.38073	0.3
79.05459	0.4
81.03394	2.5
81.07036	1.2
83.04957	0.4
85.02891	12.5
86.14599	0.3
87.04477	0.5
89.69138	0.3
91.05463	0.4
93.07033	1.3
95.04926	3.3
95.08575	1.2
97.02863	4.3
99.04421	0.7
105.03359	0.4
105.06989	0.7
107.04934	0.5
107.08558	0.7
109.02869	0.8
109.10124	0.3
111.04429	4.7
111.36194	0.3
119.08601	0.5
121.02854	5.3
123.04404	27.3
127.03890	2.4
133.02834	1.4
135.04372	2.8
137.02287	1.2
137.13251	0.6
139.03886	4.4
139.39485	0.3
145.04866	0.4
145.10103	0.3
147.04433	0.5
147.08032	0.3
149.02322	42.5
150.03082	0.7
151.03871	1.5
153.01808	100.0
154.02399	0.4
157.06491	2.4
161.02307	2.8
165.01802	0.6
167.03369	11.0
169.06458	0.4
175.07460	0.7
179.03343	1.5
185.05952	5.8
189.05431	0.3
195.02850	14.5
203.03368	0.5
203.07043	0.6
213.05432	9.0
217.47319	0.3
219.84901	0.4
231.06482	34.3
232.06662	0.4
241.04909	4.1
251.16208	0.4
258.05237	1.7
259.05957	20.5
287.05469	10.3
305.06497	25.1
448.21936	0.3
448.28165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1887
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
57.03426	0.5
57.66544	0.4
61.02888	0.4
62.27014	0.5
69.03401	1.2
71.04978	0.7
80.07430	0.5
81.07029	0.7
85.02871	2.7
87.04454	0.7
93.07042	1.8
94.54761	0.4
95.04934	1.1
95.08590	0.5
97.02866	1.1
107.08590	0.7
109.06502	0.7
111.04413	2.1
115.03926	0.5
119.08534	0.8
121.02846	0.8
123.04394	6.6
126.56730	0.5
127.03887	1.8
131.08539	0.6
135.04398	0.9
135.11642	0.6
137.06000	0.5
139.03844	1.0
144.08058	1.0
149.02301	8.8
153.01782	10.5
155.06992	1.1
157.06395	0.5
167.03329	1.0
171.02896	0.5
185.05962	0.5
195.02956	1.1
203.05257	0.6
213.05560	1.0
231.06511	5.5
247.73743	0.5
259.05917	4.5
271.05975	0.7
279.14368	4.6
287.05472	1.9
287.12390	2.7
297.15427	1.2
305.06549	5.1
305.12347	1.0
323.13220	4.2
330.44897	0.6
334.69534	0.5
347.13428	2.6
365.14398	2.3
388.82950	0.5
449.17953	3.8
467.18774	100.0
468.18735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06348	1.1
53.03922	1.5
55.01862	2.7
55.05516	11.8
57.07059	8.0
57.37672	1.2
64.33817	1.1
67.05492	12.4
69.03413	2.9
69.07060	28.8
71.04987	4.5
79.05467	17.6
81.07042	49.5
83.04940	2.6
83.08599	10.5
85.06516	3.0
85.79963	1.2
91.05461	20.9
92.09332	1.4
92.65067	1.4
93.07028	100.0
95.04951	9.6
95.08588	51.1
97.06510	12.5
97.10152	5.7
101.06017	2.0
105.07018	36.5
107.08580	92.0
108.09007	1.4
109.06512	6.0
109.10144	32.1
111.08053	8.4
116.88084	1.3
117.06989	3.2
119.06100	1.2
119.08556	25.6
121.06484	15.3
121.10119	41.4
123.08062	2.4
123.11676	15.2
125.05948	2.2
125.09589	2.3
131.08562	12.6
133.10103	39.9
135.08051	23.9
135.11674	49.1
135.12685	2.3
137.09625	2.5
137.13292	1.9
139.07520	77.9
139.11188	2.4
143.08556	1.8
145.10115	36.7
147.11658	7.4
149.09604	3.0
149.13187	11.7
151.11188	3.2
153.09109	19.6
156.75571	1.3
157.10103	1.3
159.11678	23.0
161.13264	11.7
162.13574	1.4
163.11206	3.2
175.14793	8.5
177.12714	6.3
177.16365	1.4
191.17917	19.2
193.12326	2.0
195.13780	92.3
201.16368	22.5
203.17880	1.6
210.26929	1.2
212.13197	1.7
219.17415	99.0
221.19128	1.3
223.42899	1.3
232.29308	1.3
237.18478	24.0
357.42310	1.6
391.91782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1182
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
50.67502	0.9
55.01847	1.1
55.61118	0.9
56.50850	1.1
57.03419	1.2
59.21024	1.0
61.02917	2.1
61.79932	1.2
67.01837	1.3
67.05488	1.2
68.99779	2.7
69.03401	8.0
70.31741	1.1
71.04998	1.3
77.83408	1.2
81.03404	1.2
85.02890	20.5
85.49739	1.1
92.09238	2.2
95.04951	2.4
97.02887	5.3
109.02917	1.5
111.04419	6.8
113.19418	1.1
121.02850	9.5
123.04407	67.7
127.03851	2.0
133.02783	1.9
135.04410	1.7
139.03871	6.1
149.02321	86.8
151.03889	2.6
153.01808	100.0
157.06514	2.8
161.02312	6.2
167.03366	12.1
170.36635	1.1
179.03357	1.4
185.05981	10.4
195.02853	14.2
203.03505	1.5
213.05368	13.0
231.06465	66.5
241.04947	7.0
253.13306	1.9
253.30624	1.5
253.78871	1.3
259.05978	49.0
287.05460	21.4
288.39246	1.3
305.06488	59.4
330.60004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02690	0.8
53.00290	1.5
53.03940	4.8
55.01865	2.3
55.05500	11.6
56.81374	0.8
57.03435	1.7
57.07066	1.4
59.04987	1.1
63.90536	0.8
65.03909	1.0
65.70010	0.8
67.05498	16.5
69.03410	14.8
69.07058	11.4
69.77182	1.0
71.04973	16.1
71.08610	1.3
79.05475	31.8
81.03398	5.0
81.07037	100.0
83.04979	6.7
83.08604	1.5
85.02872	2.2
85.06526	4.1
85.29993	0.9
87.04428	1.4
91.04883	1.7
91.05462	39.2
93.07021	48.3
95.04936	22.1
95.08582	14.8
97.02863	13.6
97.06509	10.2
99.04450	5.8
103.05469	2.0
105.03425	1.2
105.07013	67.1
107.04939	5.2
107.08575	51.8
109.06499	15.7
109.10143	11.1
111.04427	26.7
111.08071	1.9
115.05436	1.0
117.07011	10.0
119.04959	1.4
119.08559	21.3
121.06454	7.2
121.10110	12.0
123.04394	4.6
123.08050	13.7
123.11695	5.5
124.05222	1.1
125.05997	1.9
125.09605	2.4
128.06183	7.9
129.06989	4.2
131.04900	1.3
131.08549	18.3
133.06496	4.7
133.10103	65.7
135.08026	16.7
135.11678	9.3
137.05949	1.4
137.09599	2.2
142.07716	2.1
143.08537	15.3
145.06441	2.0
145.10112	12.4
146.07268	8.9
147.08058	4.3
147.11671	3.8
149.09604	7.7
149.13277	1.2
151.11176	11.9
154.94550	1.0
155.08524	1.4
157.10121	7.6
159.08011	4.0
159.11696	7.7
160.30858	1.1
161.09586	48.4
161.13254	1.0
163.11165	1.1
165.12730	1.4
171.11676	1.2
173.09631	1.6
173.13228	2.0
175.11110	1.4
177.09023	1.2
179.10643	90.4
187.14743	1.2
199.14888	5.9
201.16367	5.2
217.15895	4.2
219.17479	1.2
392.35220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01869	2.5
55.05503	7.3
57.03439	1.8
57.07073	1.5
59.04988	1.4
63.47187	1.0
65.03901	3.6
67.05493	14.8
69.03410	10.5
69.07057	12.7
71.04973	13.9
79.05479	26.4
81.07043	100.0
83.04968	6.1
83.39616	1.2
85.06528	5.7
85.43829	1.0
90.89315	1.0
91.05473	27.6
93.07026	44.2
95.04950	14.9
95.08588	16.5
97.02840	9.5
97.06522	6.0
99.04436	4.6
103.05446	5.6
105.07018	60.7
106.07364	1.1
107.04960	2.4
107.08586	48.8
109.06502	11.3
109.10138	8.8
111.04430	23.8
111.08083	1.3
117.07040	8.3
119.08567	22.5
121.06497	10.1
121.10111	13.4
123.04419	5.2
123.08039	12.6
123.11710	5.1
125.09549	1.7
128.06201	4.7
129.06984	2.0
131.04900	2.6
131.08537	15.3
133.06532	4.1
133.10107	50.8
135.08029	13.5
135.11681	8.8
137.05989	1.4
137.09583	4.3
142.07797	4.7
143.08548	12.9
145.06523	2.1
145.10126	13.7
146.07281	6.5
147.08046	2.1
147.11697	6.7
149.09587	8.0
149.13249	1.7
151.11156	10.3
157.10097	9.5
159.08054	5.9
159.11700	10.8
161.09598	53.3
161.10606	2.1
161.13203	1.4
163.11221	1.4
165.09077	1.2
167.10565	1.3
171.11591	1.9
173.09550	1.4
173.13335	1.3
173.87093	1.3
175.11125	1.7
175.14882	1.5
177.09206	1.2
177.12650	1.3
179.10643	63.6
199.14809	5.6
201.16399	5.4
207.43365	1.4
217.15735	1.4
219.17470	1.2
235.16969	4.8
244.96799	1.1
249.14917	1.9
299.74133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08038	0.4
53.03940	0.5
55.01857	3.1
55.05514	0.5
57.03429	8.0
57.07079	3.4
60.54191	0.4
61.02912	3.3
67.05482	3.8
69.03413	9.2
69.07054	4.9
71.01338	1.1
73.02901	8.1
74.56797	0.4
79.05476	7.0
81.03400	1.0
81.07043	100.0
85.02893	20.4
87.04474	0.6
93.07033	1.1
95.08591	24.4
97.02876	11.9
99.04450	0.6
99.05112	0.5
103.03924	0.6
109.02890	0.5
109.10143	0.8
115.03917	5.7
119.02750	0.5
127.03906	5.5
128.33012	0.5
133.04945	6.3
137.13246	14.3
145.04947	5.9
150.07588	0.6
162.55934	0.5
163.06004	3.2
169.06837	0.4
241.07065	1.1
259.07953	0.9
262.18854	0.6
291.24213	0.6
295.10190	0.7
373.77805	0.6
471.88754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56800	1.3
53.03939	2.8
55.01862	3.5
55.05510	15.4
57.03434	3.8
57.07065	6.6
58.04664	1.4
59.04980	2.9
63.55102	1.3
65.03934	1.6
67.05502	19.8
69.03407	11.0
69.07057	32.4
71.04987	15.9
72.44518	1.5
74.75372	1.7
79.05479	40.3
79.82251	1.6
81.03423	1.9
81.07044	100.0
83.04958	8.6
83.08613	3.9
85.02855	1.7
85.06524	8.0
91.04954	2.7
91.05469	44.3
93.07032	54.5
93.07629	2.0
95.04967	16.7
95.08608	28.6
97.02866	7.5
97.06512	19.5
98.73988	1.7
99.04445	2.7
103.05495	2.2
105.07020	70.4
107.04977	3.4
107.08586	61.4
108.08910	1.7
109.06515	18.8
109.10155	14.3
111.04423	20.2
111.08073	2.1
115.05432	7.1
117.06987	10.7
119.08568	55.7
121.06513	16.3
121.10134	21.2
123.04381	2.4
123.08052	17.7
123.11695	8.9
125.05979	2.7
125.09598	3.3
127.07539	2.4
128.06171	8.3
129.06944	7.0
131.04932	2.0
131.08539	28.5
133.06511	3.3
133.10112	74.6
134.42934	1.8
135.08025	17.4
135.11670	10.8
137.09618	3.8
142.07770	2.5
143.08543	17.5
145.06436	2.7
145.10100	22.0
146.07259	6.4
147.08105	12.2
147.11668	18.4
148.35352	1.7
149.09601	12.0
149.13281	3.3
150.35501	1.6
151.11165	12.6
156.09305	2.0
157.10095	18.0
159.08025	3.7
159.11624	13.9
161.09615	52.5
161.13203	6.7
163.11166	1.8
165.09113	2.2
171.11684	1.9
173.13205	3.8
173.65215	1.8
175.11140	11.6
175.14868	2.7
177.09065	2.0
179.10655	61.0
189.16360	18.8
191.14259	9.4
199.14799	10.5
201.16327	2.4
217.15829	32.0
235.16902	48.9
235.19072	3.1
317.27576	1.8
390.18573	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01861	0.7
55.05511	1.7
57.07060	1.0
59.04986	1.1
67.05503	4.1
69.03423	2.7
69.07056	4.0
70.06574	1.3
71.04988	2.7
79.05477	16.1
81.07042	29.0
83.04968	2.9
83.08620	0.7
85.02899	1.2
85.06551	1.1
88.07617	1.2
91.05449	9.8
93.07033	13.5
95.04942	6.5
95.08592	5.7
97.06502	4.3
99.04440	1.3
102.23441	0.7
105.07024	13.6
106.07336	0.7
107.04969	1.3
107.08582	26.3
109.06509	100.0
109.10133	2.5
111.04450	1.1
111.08075	2.5
117.07034	2.9
119.04924	1.0
119.08547	9.2
121.06508	4.8
121.10164	3.2
123.04388	1.1
123.08055	3.4
123.11707	1.1
125.05989	4.1
125.09592	0.9
127.07537	25.5
129.07028	3.7
131.08553	9.9
133.06500	2.9
133.10081	6.9
135.08029	7.4
135.11685	1.2
137.05952	12.4
137.09604	1.0
138.06311	3.3
142.07764	1.7
143.08560	6.5
144.09344	1.3
145.10129	8.6
146.10454	0.8
147.04413	1.2
147.08008	5.3
147.11700	3.7
149.02322	6.5
149.09618	3.5
151.07486	0.8
153.09099	17.0
156.09300	7.4
157.10103	10.2
159.08078	3.5
159.11621	5.7
160.08818	1.0
161.09636	5.0
161.13252	3.0
163.07527	3.9
165.08960	0.9
169.10020	0.8
171.11652	12.9
173.09663	4.6
173.13242	4.6
175.07623	1.1
175.11192	4.1
177.09059	0.8
179.07080	1.4
184.08803	0.9
187.11182	3.4
189.12692	5.0
189.49353	0.7
193.04961	6.2
199.11147	12.4
199.14851	1.1
201.12747	1.1
201.16335	0.8
203.10709	1.6
205.12285	0.9
211.09607	5.5
212.10037	0.9
215.10725	0.7
217.12276	4.7
227.10625	1.0
237.07587	5.0
245.11708	13.6
256.26382	4.4
263.12680	5.9
323.14935	1.3
371.18262	0.8
389.19629	1.4
466.31732	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01872	4.0
57.03426	7.6
57.07062	0.5
59.04974	0.6
61.02908	3.8
61.68758	0.4
67.05481	3.2
69.03415	9.1
69.07053	0.5
69.63994	0.3
71.01335	1.0
73.02904	9.2
79.05481	4.9
81.03411	2.0
81.07040	100.0
85.02890	29.4
87.04443	1.0
92.08771	0.6
93.07011	1.9
95.04947	0.5
95.08587	9.3
97.02866	12.8
99.04394	1.4
103.03947	1.5
105.07006	1.5
107.08587	0.6
109.02869	2.3
109.10147	2.8
115.03901	6.2
117.30038	0.4
123.11647	0.7
125.27721	0.4
127.03878	6.7
132.06462	0.5
133.04933	8.2
133.10106	0.9
134.10425	0.5
135.11655	0.8
137.13239	19.2
145.04936	7.2
148.21684	0.4
150.07738	0.4
163.05997	5.6
188.54176	0.4
241.07185	0.7
259.08118	2.6
278.67972	0.4
295.10156	2.9
317.19617	1.8
408.37024	0.6
467.18927	0.7
493.08920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97266	0.8
53.00295	1.7
55.01858	1.2
57.03430	37.5
59.04982	8.1
61.02903	1.3
61.98507	0.9
69.03417	90.1
71.01324	1.0
71.04985	1.3
73.02915	5.2
75.04459	6.2
78.39818	1.1
81.03403	6.6
85.02890	69.5
87.04450	60.4
87.04986	1.8
91.05491	1.1
97.02869	65.4
99.04433	1.9
103.03917	1.3
109.02880	2.0
111.04420	12.1
115.03909	58.6
120.08076	9.9
123.04425	1.3
127.03889	5.2
133.04942	64.4
137.02318	100.0
139.03934	1.3
145.04991	6.5
150.07613	1.7
155.03366	89.2
159.11592	1.4
160.12010	1.2
169.61089	1.1
182.08133	5.2
259.08188	1.7
287.11255	1.3
295.10156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44863	0.8
53.03940	5.1
53.78607	1.1
53.88197	0.8
55.01866	6.1
55.05507	15.6
55.63467	0.9
56.67117	0.8
57.03428	12.4
57.07062	4.9
59.04992	1.8
61.02906	6.2
67.05491	21.6
68.43835	0.9
69.03419	30.2
69.06715	1.1
69.07061	14.9
71.04977	14.9
71.41383	1.0
73.02896	11.9
73.65873	0.8
75.91583	0.9
79.05473	9.1
81.03403	12.0
81.07038	100.0
82.07365	1.2
83.04977	4.0
83.08604	16.5
84.78815	0.9
85.02892	56.8
85.06534	5.8
87.00815	13.9
87.04455	6.3
91.03972	1.2
91.05457	6.0
92.64861	1.2
93.07032	9.9
94.43270	0.9
95.04964	2.2
95.08584	32.8
97.02869	29.3
97.06528	2.2
99.04429	8.8
105.01859	14.2
105.07023	13.4
107.08562	11.4
109.02859	15.9
109.06512	1.4
109.10138	2.0
111.04421	1.3
111.08077	1.1
113.05992	1.7
115.03918	10.0
117.07006	2.1
119.08591	7.5
121.10146	10.7
123.08041	2.4
123.11684	77.1
127.03893	23.7
127.07531	1.6
131.04900	0.9
131.08585	1.8
133.04944	8.1
133.10129	3.9
135.08093	1.1
135.11688	3.9
137.06006	4.7
137.13229	19.6
145.04956	12.1
145.10104	1.5
147.11641	15.2
151.07513	19.4
152.07889	2.1
155.14287	4.0
159.02863	1.8
159.11688	5.6
163.05940	1.2
165.12733	9.9
177.09045	6.7
177.12749	1.2
178.09424	2.0
183.13750	15.6
191.10655	10.3
192.10950	2.1
195.13753	1.2
213.04100	1.3
231.04886	7.3
249.06026	2.2
256.01633	1.3
269.17474	9.0
284.09653	2.3
433.16699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05510	0.6
57.03432	6.0
61.02912	2.3
67.05489	4.7
69.03410	5.3
69.07068	0.8
70.06574	4.0
71.04957	0.9
73.02901	2.7
79.05471	6.1
80.62737	0.4
81.03384	1.1
81.07040	4.9
81.14573	0.5
81.18362	0.5
82.13137	0.5
85.02888	14.9
85.03362	0.8
85.06538	2.8
86.09663	0.4
87.04475	0.5
91.05452	4.0
93.07010	4.5
95.04945	15.0
95.08582	6.5
97.02890	5.5
97.06526	0.8
103.05450	4.9
105.07014	7.7
107.04938	46.2
107.08563	4.0
109.02859	1.1
109.06499	19.3
109.10129	6.5
114.53106	0.5
115.03888	0.7
115.05425	1.2
117.07027	1.0
119.08567	3.3
120.05711	0.8
121.06520	1.3
121.10126	1.1
123.04456	0.9
123.08041	1.0
125.05981	1.1
127.03905	2.3
127.07549	2.5
131.04929	2.4
133.04988	1.1
133.06480	1.3
133.10120	0.8
135.08040	15.6
135.11703	0.6
137.05963	4.2
137.09593	34.1
141.09093	0.6
145.04982	1.2
145.07590	0.8
145.10135	2.1
146.05989	0.6
147.04454	0.5
147.08092	0.6
149.05988	0.8
149.09674	0.6
151.03906	0.8
151.07581	0.6
152.04686	2.0
154.06287	2.2
155.10657	6.6
159.11688	0.6
161.09682	0.6
163.07501	36.0
165.09070	0.7
165.12799	0.6
167.07002	100.0
169.10153	0.5
173.09358	0.6
180.06224	0.6
180.07703	4.2
181.08594	2.2
193.08545	4.6
195.10132	27.5
203.14235	0.6
205.12233	0.9
211.09595	5.6
213.11186	38.1
215.14246	0.7
233.11612	0.6
233.15382	1.1
251.12708	1.3
251.16359	2.9
269.13803	3.3
269.17249	1.1
287.14847	40.3
316.13782	0.6
490.54468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14703	1.7
55.01873	3.0
55.05502	10.4
57.03428	2.1
57.07071	26.0
62.96817	1.9
67.05490	4.4
69.07054	18.5
71.08614	15.8
75.89438	2.8
79.05460	5.6
81.07029	12.5
83.04955	9.9
83.08608	11.6
85.10152	8.4
89.91004	2.0
92.08586	4.6
93.07022	3.7
93.44601	2.6
95.04923	2.5
95.08586	11.3
97.10139	2.2
99.04411	3.3
105.07013	4.2
107.08555	4.4
109.06421	2.9
109.10126	3.5
111.04441	18.2
116.48414	2.1
121.06487	2.7
123.11662	2.5
125.02316	12.3
125.05949	12.9
127.03886	10.3
135.04367	4.5
135.07977	2.5
135.11612	3.5
137.05881	2.5
149.09663	2.7
153.05452	100.0
167.07013	4.6
174.22020	2.4
175.11026	3.2
177.09073	4.4
181.04947	4.8
181.08574	3.6
195.10165	4.6
199.05981	64.4
209.11673	3.6
269.13879	3.9
283.15259	2.4
303.05042	3.1
311.18341	2.8
353.23038	4.1
409.29272	4.2
419.35138	4.2
465.35571	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31383	3.3
55.05500	21.3
57.07058	17.8
67.05499	7.7
69.07059	9.9
71.08610	20.8
76.56191	4.6
78.17316	4.5
80.93703	4.3
81.07062	8.7
83.04954	30.0
83.08625	4.8
85.10169	4.8
92.18202	4.2
93.07023	6.6
95.08604	8.4
111.04427	7.4
114.36903	5.1
121.10115	4.0
125.02345	9.0
125.05943	16.1
127.03902	16.7
133.10184	4.6
134.56117	4.0
135.04466	6.4
138.85945	4.7
139.04012	4.0
151.07574	5.1
153.05458	100.0
167.07051	5.4
177.16237	4.2
181.04915	6.3
181.08505	5.9
199.06017	70.1
202.69809	4.3
244.22029	3.9
297.85480	4.7
339.21634	5.3
465.35773	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38086	0.2
53.03940	0.5
55.01864	2.0
55.05499	1.7
57.03430	4.4
57.07071	0.5
59.04996	3.6
61.02913	2.5
67.05492	5.6
69.03415	5.6
69.07055	7.0
71.01323	0.3
71.04974	3.4
73.02908	3.9
79.05480	3.2
81.03393	1.6
81.07038	7.0
83.04971	0.5
83.08585	2.2
84.05245	0.2
85.02888	14.6
87.04450	0.5
91.03967	0.4
91.05434	2.8
93.07021	27.3
95.04950	0.4
95.08585	21.8
97.02869	6.9
97.06506	12.4
97.07125	0.5
99.04430	1.0
100.61310	0.2
103.03925	0.3
105.07008	1.3
107.04966	0.4
107.08577	42.7
109.02856	1.7
109.06476	0.5
109.10139	34.0
111.08072	1.0
111.11722	0.9
115.03899	1.9
119.08558	1.1
125.13235	0.4
127.03908	2.2
133.04927	2.2
133.10020	0.3
135.11671	65.3
136.12044	0.3
145.04927	3.3
145.10062	0.3
147.04362	0.3
152.36118	0.3
153.12721	100.0
154.13081	0.5
163.06001	1.4
171.13777	3.9
236.05928	0.3
241.06993	0.4
297.16901	0.3
303.04922	0.3
326.79547	0.3
345.05643	0.3
421.41595	0.3
431.58771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38086	0.2
53.03940	0.5
55.01864	2.0
55.05499	1.7
57.03430	4.4
57.07071	0.5
59.04996	3.6
61.02913	2.5
67.05492	5.6
69.03415	5.6
69.07055	7.0
71.01323	0.3
71.04974	3.4
73.02908	3.9
79.05480	3.2
81.03393	1.6
81.07038	7.0
83.04971	0.5
83.08585	2.2
84.05245	0.2
85.02888	14.6
87.04450	0.5
91.03967	0.4
91.05434	2.8
93.07021	27.3
95.04950	0.4
95.08585	21.8
97.02869	6.9
97.06506	12.4
97.07125	0.5
99.04430	1.0
100.61310	0.2
103.03925	0.3
105.07008	1.3
107.04966	0.4
107.08577	42.7
109.02856	1.7
109.06476	0.5
109.10139	34.0
111.08072	1.0
111.11722	0.9
115.03899	1.9
119.08558	1.1
125.13235	0.4
127.03908	2.2
133.04927	2.2
133.10020	0.3
135.11671	65.3
136.12044	0.3
145.04927	3.3
145.10062	0.3
147.04362	0.3
152.36118	0.3
153.12721	100.0
154.13081	0.5
163.06001	1.4
171.13777	3.9
236.05928	0.3
241.06993	0.4
297.16901	0.3
303.04922	0.3
326.79547	0.3
345.05643	0.3
421.41595	0.3
431.58771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96427	0.8
53.03942	1.4
54.81393	1.0
55.01854	0.9
55.05508	40.9
56.96560	1.5
57.03437	1.1
57.07071	31.1
58.94335	0.9
59.04997	1.0
60.16114	0.8
67.05144	1.3
67.05495	35.2
69.03414	4.5
69.07058	78.5
71.04987	5.0
71.08620	14.9
79.05482	6.8
81.03410	1.1
81.07043	99.0
83.04964	1.5
83.08113	2.1
83.08608	53.1
85.02896	10.9
85.06537	10.3
85.10186	5.8
91.05473	4.5
91.06680	0.9
93.07040	7.8
95.04948	1.6
95.08589	100.0
97.02893	1.6
97.10152	44.0
99.08051	1.9
105.07015	5.4
107.04959	1.7
107.08573	5.6
109.04039	0.9
109.10144	66.0
111.11706	24.1
113.09657	1.4
117.07000	1.1
119.08544	6.7
121.10149	2.0
123.08054	1.6
123.11689	42.9
125.13207	9.3
127.03924	1.0
127.11186	1.0
131.08571	2.4
133.10098	4.8
135.07954	1.2
137.13245	17.4
139.14836	1.9
145.10146	4.6
149.09627	1.2
151.07555	2.2
151.14818	9.8
159.11862	1.1
165.16389	5.8
167.17888	1.6
171.11565	1.0
177.08977	1.3
179.17967	5.1
185.18976	1.9
191.10745	1.8
193.19508	5.3
219.13477	1.2
249.25713	15.8
267.26807	26.7
285.27802	10.9
299.00626	1.3
301.96078	1.1
303.04953	7.4
333.72162	1.0
482.97195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.82132	1.1
55.01859	1.1
55.05488	0.9
56.71595	0.9
57.03423	2.5
59.29404	0.9
65.03926	1.5
67.05504	1.7
69.03422	1.7
73.02896	5.0
78.04695	3.7
79.05473	9.7
81.07014	2.4
83.04987	1.1
85.02879	4.8
91.05466	21.3
93.07023	15.1
94.07411	1.2
94.75615	1.0
95.04956	12.5
95.08578	1.3
98.13419	0.9
103.05457	10.6
105.04488	1.0
105.06995	9.2
107.04944	29.3
107.08558	4.2
109.02853	1.2
109.06502	2.1
109.10136	2.0
110.08048	1.0
111.04422	2.4
115.05450	2.4
117.07003	8.0
119.04934	6.4
119.08549	4.1
121.06469	16.4
123.04418	13.3
123.08047	1.1
124.05190	5.2
125.05938	3.9
128.06184	5.6
129.06979	24.2
131.04927	8.8
131.08516	11.4
133.06461	5.8
135.04387	2.3
135.08041	6.6
135.11702	1.9
136.05116	1.1
137.05959	16.6
138.06667	1.3
139.07471	1.3
140.04697	13.6
145.06473	6.7
145.10071	1.2
146.07259	4.1
147.04395	5.6
147.08052	4.0
148.05116	5.1
149.05957	6.3
150.06712	1.0
151.03886	2.1
151.07524	19.5
152.04608	5.3
153.01808	1.8
153.05457	10.5
155.07016	10.2
157.06464	15.8
157.30624	1.2
159.08044	1.9
160.66953	1.0
161.05951	61.5
161.09589	18.3
162.06738	1.7
163.07520	15.8
165.06952	5.1
165.09082	8.0
166.06197	9.0
166.07581	1.7
167.07008	100.0
171.07964	1.6
174.06729	16.7
175.07510	17.9
177.05391	2.0
177.06842	1.3
177.09111	9.7
178.07733	1.7
178.33205	1.0
179.07047	1.7
179.08510	4.5
181.05063	1.4
181.06717	3.2
181.08566	57.5
182.07295	4.3
183.07947	1.8
183.75130	1.2
189.09068	57.7
190.07729	1.3
191.06973	4.4
191.08546	1.9
193.06476	2.1
194.07260	1.6
195.07997	9.5
197.06007	1.2
197.09566	7.2
205.08383	1.0
207.08124	2.8
207.10101	10.8
208.08836	1.2
210.06801	1.8
211.07465	2.5
218.07097	1.1
219.07994	3.8
219.10115	11.0
220.08833	1.1
221.05908	3.9
222.06725	2.3
223.07471	6.2
223.11194	2.2
224.08284	5.4
225.09062	12.5
227.06923	1.7
235.07573	1.2
236.08269	4.9
237.09010	5.5
238.06239	1.5
239.06953	3.7
239.10681	1.7
240.07813	5.3
241.08630	4.5
247.07675	1.6
248.08389	1.1
250.06137	1.3
251.06978	6.5
251.10664	6.9
253.08583	14.3
254.09245	2.2
255.06413	4.0
255.10071	5.7
256.07254	1.0
257.11679	10.6
263.06772	1.5
265.08588	1.8
266.09320	1.1
267.06406	1.4
267.10074	4.1
268.07190	1.5
269.07971	5.3
270.08835	2.2
270.61423	1.1
271.09668	1.5
279.10062	2.0
281.08044	2.1
283.09573	8.7
283.13239	5.7
285.07858	2.2
285.11185	15.7
295.09546	1.1
297.11169	2.4
299.09100	2.2
302.11502	4.2
303.04959	21.6
303.13333	1.7
309.11136	1.8
311.12732	5.0
315.12076	10.8
316.12747	1.8
317.13803	15.1
323.12811	1.3
329.13791	4.2
331.15543	4.0
343.15353	24.0
346.14005	4.0
348.48221	1.4
359.14767	7.3
360.15558	23.1
361.16364	75.1
373.16110	2.1
401.53293	1.2
415.86169	1.1
435.20093	14.5
439.93170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21327	0.2
53.03940	0.7
53.90610	0.2
55.01866	0.4
55.71649	0.2
57.03419	1.1
59.04962	0.2
61.02915	2.6
68.99775	1.0
69.03416	5.1
71.04965	0.4
72.87534	0.2
73.02895	0.9
78.99379	0.2
81.02689	0.2
81.03387	2.5
81.39492	0.2
85.02892	12.2
85.06082	0.2
87.04432	0.3
91.03916	0.4
93.03356	0.2
95.04951	0.4
97.02866	4.6
99.04430	0.5
109.02853	2.1
111.00779	1.5
121.02852	1.8
123.04401	0.2
127.03874	1.8
137.02322	5.6
142.55737	0.2
145.04929	1.2
149.02339	0.9
153.01816	7.0
155.04893	0.3
161.05904	0.6
163.03830	1.0
165.01828	3.3
166.02612	0.3
173.05956	0.9
183.02864	0.9
183.04355	0.3
187.03900	0.2
191.03395	0.2
195.02861	0.4
201.05414	3.3
219.06432	0.3
229.04924	7.8
247.06013	1.2
257.04416	4.8
274.04639	1.1
285.03888	1.9
303.04938	100.0
304.05200	0.4
314.72861	0.2
431.70981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03926	0.8
55.01854	0.8
57.03411	1.0
58.27588	0.2
61.02911	5.0
68.99768	0.9
69.03419	4.3
71.04963	0.4
73.02890	1.1
77.78191	0.2
81.03384	2.0
85.02889	10.8
87.04432	0.4
89.60666	0.2
91.03930	1.4
93.03391	0.5
95.04955	0.4
96.19556	0.2
97.02860	3.9
99.04436	0.5
99.81566	0.2
105.06974	0.2
109.02863	1.7
111.00771	1.6
121.02845	1.7
123.04417	0.5
127.03880	1.4
135.04378	0.3
137.02312	6.2
137.03311	0.3
145.04901	0.6
149.02321	0.9
153.01794	8.0
161.06007	0.4
163.03876	1.3
165.01794	3.7
173.05919	0.5
179.03273	0.3
183.02858	1.6
183.04356	0.4
187.03879	0.3
201.05444	3.3
229.04919	8.1
237.45125	0.2
247.05956	1.0
257.04330	5.3
274.04623	0.5
275.05566	0.4
279.18176	0.2
285.03827	1.8
303.04919	100.0
304.05228	1.5
451.37225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.63733	0.2
53.03930	0.3
55.01858	1.1
55.05489	0.4
56.96560	0.3
57.03436	2.2
59.04974	0.5
61.02903	1.2
67.05482	1.3
68.99764	0.6
69.03112	0.2
69.03419	3.3
69.07050	1.9
71.01334	0.5
71.04977	1.0
73.02902	32.1
79.05470	1.3
81.03391	1.0
81.07047	2.4
83.04959	0.4
83.08595	0.3
83.09474	0.3
85.02891	9.6
87.04455	3.2
91.03916	0.3
91.05436	1.2
92.08616	0.4
92.22605	0.2
93.03387	0.4
93.07026	4.3
95.04939	1.0
95.08588	2.5
97.02878	2.9
97.06477	0.3
99.04415	1.2
103.78027	0.2
105.06995	1.4
107.08585	4.4
109.02864	1.0
109.06530	0.5
109.10134	0.5
111.00769	1.1
115.03899	1.2
115.37990	0.2
117.05434	0.3
119.08553	1.8
121.02856	2.1
121.10115	0.4
123.04429	0.4
125.05965	0.3
127.03871	1.4
131.08548	0.4
133.04929	1.0
133.06419	0.3
133.10101	0.5
135.11668	3.7
137.02328	4.9
137.05975	0.3
137.09595	0.3
145.04973	0.5
145.10109	0.4
149.02289	0.4
153.01810	6.7
153.09143	0.2
153.12721	4.6
155.04900	0.3
161.13072	0.2
163.03857	0.5
165.01807	2.8
173.06020	0.4
175.14674	0.2
183.02870	1.1
183.74190	0.2
187.03877	0.4
201.05403	2.5
211.03990	0.3
221.15355	0.3
229.04932	6.2
237.14871	0.3
238.15125	0.3
247.05989	0.6
257.04413	4.4
262.93054	0.2
267.15924	0.3
274.04684	1.1
285.03836	1.9
285.17004	0.5
286.17630	0.3
303.04950	100.0
304.05164	0.4
343.75342	0.2
374.70529	0.2
439.33084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47271	1.3
51.81975	1.3
53.03911	1.5
53.44790	1.3
54.81451	2.1
55.05503	9.4
57.03419	2.5
57.07070	2.7
59.06083	1.6
67.05492	22.6
69.07054	18.9
71.04977	7.6
72.49957	1.3
74.09698	9.1
79.05478	27.8
81.06593	2.7
81.07042	47.6
83.04981	1.9
83.08588	9.8
85.06527	20.7
91.05460	32.8
93.07027	81.4
95.04952	9.2
95.08592	50.1
97.06486	2.7
97.10143	2.5
105.07017	45.2
107.08578	57.9
109.06512	7.2
109.10140	19.7
111.08065	2.4
117.07046	5.9
119.08548	27.4
121.06472	1.7
121.10124	69.4
123.08025	2.4
123.11655	2.7
131.08522	9.7
133.10107	21.5
135.08076	5.4
135.11684	25.2
145.10126	20.2
147.11650	12.2
147.88493	1.6
149.09697	1.6
149.13269	8.1
151.11108	2.4
157.10057	3.0
159.11700	3.8
165.12718	1.5
173.13188	1.8
175.11180	1.7
175.14806	9.5
177.16362	100.0
193.12184	1.9
193.15855	2.5
195.13852	1.7
201.16364	3.7
203.17990	1.8
219.17401	3.1
329.26355	1.6
367.59833	1.8
382.63104	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97849	1.1
53.00306	1.3
55.05503	11.3
55.47001	1.5
55.96422	1.5
57.03420	1.7
57.07071	2.0
60.16902	1.3
67.05504	21.1
69.07052	24.9
69.91433	1.5
71.04987	9.3
74.09705	10.0
79.05478	24.0
81.07043	48.1
83.04950	2.2
83.08604	14.2
85.06522	17.1
91.05467	30.4
93.07027	83.2
95.04954	8.1
95.08591	57.8
97.10129	2.4
105.07016	46.9
107.08583	53.8
109.06489	2.3
109.10149	12.6
111.08099	2.7
113.87806	1.5
117.07027	7.9
119.08569	30.3
121.10123	73.1
123.08112	1.9
131.08536	11.8
133.10101	20.6
135.08075	5.9
135.11696	22.8
137.06033	2.1
137.09647	3.0
145.10126	19.0
147.11711	9.8
149.09552	2.3
149.13248	8.6
151.11188	2.2
153.09152	2.2
157.10146	2.6
159.11679	7.7
161.09656	2.4
175.14815	14.6
177.16360	100.0
193.12227	1.6
193.16040	1.5
201.16435	6.4
209.15501	1.4
219.17375	2.4
258.40475	1.6
281.60226	1.8
313.49945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25262	0.7
54.04608	0.9
57.03427	1.3
57.05178	0.8
61.02900	0.7
69.03410	5.8
71.04973	5.3
79.05466	0.8
83.04979	1.4
85.02894	14.5
87.04457	1.3
91.05492	1.1
93.07012	1.2
97.02866	3.7
98.97594	0.8
102.32871	0.8
105.07018	3.6
105.71394	0.9
107.08550	3.8
115.03897	1.7
116.98638	0.9
117.06943	1.6
119.08558	7.7
121.06496	1.1
121.10090	1.4
127.03855	1.2
131.08525	7.4
133.05011	1.2
133.10126	5.3
135.08057	1.3
135.11673	1.1
143.08513	1.4
144.09378	1.3
145.04958	1.1
145.10127	4.3
147.11674	1.1
149.09579	1.3
149.13257	5.3
152.07056	1.2
156.09319	1.7
157.10112	5.4
159.11665	100.0
161.09586	1.4
161.13278	1.1
163.07478	1.3
164.15169	0.8
170.08138	1.4
171.11638	9.6
173.13223	46.2
175.11180	4.2
175.14737	1.2
177.09084	3.5
177.12714	16.4
179.06891	1.1
185.13208	1.2
187.64212	0.8
189.12715	1.5
201.12738	1.7
203.14420	1.1
207.13779	1.7
219.13777	37.7
231.13788	3.9
237.14790	22.3
249.14769	1.0
255.15759	5.1
267.15955	1.7
285.16968	3.3
335.62521	0.8
373.43481	0.9
405.25629	1.1
425.69031	0.9
443.92200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20556	1.5
53.00303	2.1
53.03952	3.6
54.81844	1.8
55.01859	1.6
55.05502	25.0
55.39786	1.5
57.03417	2.0
57.07058	3.5
59.04981	4.3
65.03948	2.0
67.05496	30.1
69.03397	12.7
69.07052	29.4
71.04975	26.1
71.24111	1.8
74.09702	2.3
79.05479	40.7
81.03418	3.4
81.07041	51.0
83.04973	10.5
83.08605	8.3
85.06517	4.0
91.05460	62.8
93.07024	100.0
95.04933	22.0
95.08585	46.4
97.06512	10.8
99.04437	20.7
101.44209	1.9
105.07017	91.6
106.07813	8.4
107.08575	67.2
109.06505	39.1
109.10146	25.9
110.03664	3.1
111.08068	8.1
115.05428	3.1
117.06982	15.9
118.46231	2.2
119.08556	63.5
120.22418	1.9
121.06482	22.5
121.10122	67.0
123.08059	16.8
123.11667	9.3
124.08839	8.2
125.05975	10.2
129.07011	3.6
130.07780	2.8
131.08517	19.7
133.06491	7.8
133.10114	23.1
134.07220	2.9
135.08037	8.3
135.11662	42.5
136.08829	2.3
137.05966	73.1
137.09633	15.5
137.10587	2.1
137.13226	2.9
142.07738	2.4
143.08545	8.8
145.10118	29.8
147.08020	7.6
147.11688	33.2
149.09633	15.3
149.13306	8.5
149.93382	2.2
151.07590	2.2
151.11179	8.8
152.08311	30.2
153.09138	1.9
157.10077	4.3
159.08040	2.6
159.11620	8.0
161.09631	8.1
161.13234	7.3
163.11163	16.3
164.12010	2.7
165.12704	9.1
173.13278	4.0
175.11191	3.5
177.16299	2.7
181.12198	51.4
189.12685	3.9
192.11519	2.9
201.12691	2.9
201.16457	2.2
203.17924	4.4
205.19492	8.8
207.13797	23.1
209.11745	2.5
221.18823	2.7
221.96632	1.8
231.02338	2.1
234.16141	2.1
237.71172	2.8
323.16602	1.9
386.07288	2.0
434.81375	1.9
464.32144	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	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01856	5.9
55.05507	1.4
57.03431	14.1
59.04980	1.3
60.16264	0.8
61.02922	6.2
67.05491	1.3
69.03414	16.4
69.07027	1.2
71.01340	1.7
73.02905	18.1
74.78640	0.7
79.05479	22.8
79.05915	1.7
81.03388	3.6
81.07020	1.4
85.02891	41.8
87.04435	1.2
91.03876	1.0
91.05464	12.1
93.07025	100.0
95.04948	6.2
95.08585	1.3
97.02876	17.6
105.07028	4.4
107.08579	26.4
109.02846	3.5
109.10144	1.6
109.28851	0.8
115.03891	7.5
122.96401	0.8
124.05102	0.8
127.03909	7.4
129.07018	1.2
133.04938	8.8
133.10168	1.5
135.11662	26.3
145.04930	8.8
147.11650	1.2
150.07617	1.3
159.11809	0.9
163.06068	4.6
176.21721	1.0
223.06012	1.6
287.55984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01862	8.1
55.05502	0.9
57.03431	13.9
57.07042	0.6
59.04988	1.1
59.75965	0.4
61.02925	5.3
62.64587	0.5
67.05485	2.6
69.03069	0.9
69.03416	16.8
69.03795	0.6
69.07053	2.2
71.01321	3.0
72.04501	0.9
73.02903	13.7
79.05479	24.4
81.03384	3.2
81.07038	4.3
83.04967	1.1
85.02893	45.3
87.04447	1.3
91.03941	0.7
91.05459	13.5
93.07026	100.0
95.04950	6.9
95.08590	5.5
95.46253	0.7
97.02873	17.3
99.04458	1.9
101.02369	0.7
101.85500	0.7
103.03924	0.9
105.04475	1.0
105.07018	6.6
107.04937	1.0
107.08582	28.5
109.02851	3.3
109.06512	3.2
109.10136	7.1
111.08070	1.0
115.03912	8.5
117.06939	0.9
119.08554	4.6
121.06490	4.8
121.10109	3.0
123.08105	0.7
127.03900	7.0
129.06969	1.2
131.08553	1.2
132.06558	0.9
133.04968	9.2
133.06477	0.7
133.10095	4.0
135.08043	2.5
135.11676	24.3
137.09583	0.6
143.08524	0.8
145.04941	9.9
145.10114	0.9
147.08064	1.1
147.11671	3.9
150.07565	1.3
153.12778	1.3
159.11713	0.8
161.13190	1.1
163.06018	4.5
171.11732	0.6
175.07561	0.6
175.11278	0.7
175.14801	2.3
185.13304	0.7
203.14226	2.1
213.12727	1.0
221.15363	0.7
225.14883	1.0
231.03590	0.6
231.13789	6.4
241.06911	0.8
246.14302	0.6
249.14833	4.7
259.08063	1.2
261.14758	0.7
267.15826	4.6
356.19702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88887	0.9
53.03932	2.4
54.99259	0.9
55.01865	6.8
55.05514	8.3
57.03428	11.6
57.07061	1.0
59.87442	1.2
61.02914	5.9
67.05491	1.2
69.03416	13.7
69.07056	4.3
71.01337	1.4
73.02908	19.3
75.55359	1.0
77.03906	1.2
79.05473	20.9
81.03392	1.4
81.07046	6.7
83.05025	1.1
85.02890	29.7
87.04442	2.0
91.05465	26.4
93.07024	98.8
95.04964	9.3
95.08585	1.6
97.02863	14.6
102.91273	1.1
103.03918	1.1
105.04488	1.5
105.07016	11.3
107.08578	100.0
109.02859	1.3
109.06512	6.3
109.10161	2.4
115.03920	7.5
119.06009	1.3
119.08596	2.6
121.10117	2.0
127.03918	4.6
130.04367	1.1
133.04953	7.5
133.10126	2.2
135.11673	37.8
145.04951	4.4
147.11642	1.6
177.02324	1.0
200.51869	1.1
206.94322	1.0
207.68399	1.1
257.34570	1.1
285.16916	1.7
288.84192	1.1
300.49475	1.2
323.93344	1.1
362.98178	1.2
417.97653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33847	0.8
53.00300	1.2
53.03926	0.9
53.86467	0.7
55.01864	1.9
57.03431	33.1
59.04974	2.3
59.49689	1.0
61.02902	6.2
69.03416	67.0
70.44662	0.8
71.04606	1.6
71.04976	28.6
73.02899	20.2
75.04462	4.7
77.35521	1.1
81.03426	1.9
83.04959	1.2
85.02891	100.0
87.04449	36.5
97.02264	2.2
97.02871	50.8
99.04430	1.3
107.04939	16.6
109.02899	4.2
115.03911	45.0
121.06491	4.8
127.03074	1.0
127.03841	8.3
129.05472	8.4
131.04915	16.7
133.04933	34.1
135.04370	2.1
139.03879	4.4
145.04953	9.6
145.06461	1.6
147.06488	1.8
149.05991	6.0
150.07571	9.4
153.05457	4.6
163.05931	1.6
163.07478	1.4
169.04919	1.2
173.05975	5.5
177.05440	5.2
187.07591	1.6
189.05527	2.5
205.08606	1.6
219.06558	5.5
223.05975	1.7
231.06581	1.9
249.07483	1.5
250.96658	1.0
259.08087	1.7
295.10153	1.9
332.13467	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75198	0.4
54.31127	0.4
55.01865	1.1
55.05494	2.5
57.03427	14.7
59.04997	0.5
61.02904	3.3
66.70358	0.6
69.03408	6.4
71.01348	0.6
71.04976	76.2
73.02910	4.3
75.04461	5.3
81.03389	1.0
83.04964	8.2
85.02888	100.0
87.04474	4.0
91.05463	0.7
93.07018	1.1
95.04948	0.7
97.02877	7.8
99.04451	1.2
103.03866	0.7
107.04935	1.1
109.02881	0.7
111.04418	4.3
115.03944	0.6
117.07009	2.0
119.04967	0.5
121.06487	7.1
123.04392	1.1
127.03878	3.2
129.05449	24.3
131.04921	0.6
131.08577	0.7
133.04897	0.6
135.04413	2.3
135.08057	0.9
145.04915	0.9
145.06505	4.8
147.06520	13.6
147.07869	1.0
151.07552	0.9
159.08041	2.7
163.06258	0.7
163.07436	3.9
165.07603	0.7
175.07527	2.3
187.07539	6.7
189.08981	0.7
203.10645	0.5
205.08534	6.1
213.09067	1.0
231.10149	2.7
249.11037	3.6
249.14955	0.7
255.08598	1.0
267.12201	3.5
273.09521	0.9
309.11871	1.9
382.31180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03218	1.1
57.03436	16.3
59.04990	1.3
61.02921	1.4
69.03407	4.9
71.04977	84.3
73.02891	2.5
75.04420	1.8
78.17909	1.3
79.05503	2.0
81.03392	2.7
83.04961	8.8
85.02897	100.0
87.04448	2.5
91.05465	2.2
93.07024	5.8
95.04937	1.9
97.02914	2.6
99.04394	2.4
102.40238	1.3
105.07034	2.9
107.04929	2.2
107.08568	1.3
111.04436	3.2
119.08558	5.4
121.06479	16.9
127.03875	3.0
129.05466	22.6
131.08638	1.8
133.10222	1.7
135.08078	2.0
137.05927	1.8
145.04956	2.2
145.06491	2.1
145.10085	5.5
147.06526	9.9
157.10074	1.4
157.37190	1.4
159.08031	2.2
161.05946	24.7
163.07504	1.8
163.11186	1.5
164.09143	2.1
173.13239	1.6
175.07561	2.9
176.87885	1.4
179.06990	6.5
187.07509	3.0
203.07030	2.7
205.08636	3.3
221.08012	6.4
231.13664	1.8
240.55542	1.3
249.14825	2.7
309.11734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93884	0.5
53.00292	1.0
53.03946	0.9
55.01860	3.6
55.05510	0.9
57.03431	36.8
59.04995	7.8
59.29211	0.5
59.73937	0.5
61.02905	1.4
63.21233	0.5
65.03925	0.6
65.15247	0.6
67.05488	1.4
69.03419	100.0
69.07062	2.8
71.01332	1.2
71.04977	2.4
73.02910	4.3
75.04475	4.5
79.05480	6.9
81.03404	4.5
81.07039	3.5
83.04961	3.6
85.02893	68.3
87.04454	60.0
91.05473	5.4
93.07010	5.6
95.04974	4.7
95.08598	2.6
97.02872	70.4
97.06518	3.7
99.04432	3.5
101.02283	0.8
102.40659	0.7
103.03939	0.6
103.05443	0.7
105.07008	9.2
107.04945	6.3
107.08573	3.6
109.02908	1.4
109.06506	2.8
109.10158	2.6
111.04398	1.2
115.03914	71.8
115.07591	0.7
116.06181	0.6
117.07015	1.5
119.04935	1.3
119.08591	6.1
121.02848	62.4
121.06504	3.5
121.10126	1.1
123.04378	2.4
123.08077	0.9
124.12171	0.6
125.05976	2.5
127.03899	5.9
128.06171	1.5
129.07033	1.2
131.04982	0.9
131.08556	4.2
133.04945	60.5
133.06528	2.1
133.10103	5.4
135.04396	1.1
135.08034	2.6
135.11676	2.6
137.05951	1.0
142.07770	1.3
143.08569	4.7
145.04930	5.2
145.10114	3.6
147.08043	1.1
147.11656	2.5
149.05978	1.5
149.09592	1.4
151.03917	0.9
153.05452	52.2
153.12671	1.1
157.10106	2.9
159.08040	3.1
159.11674	2.4
161.09540	4.8
161.13223	5.1
162.14018	0.7
163.05986	1.2
169.04955	1.2
171.07977	1.9
173.13206	2.9
174.14073	1.0
175.11214	0.7
175.14830	1.4
185.09595	3.0
189.09119	5.9
191.14211	1.2
203.10754	1.1
203.14276	1.5
207.10031	5.9
213.09132	1.2
231.10191	1.1
231.13834	2.8
237.14832	2.5
241.07109	1.2
249.11171	4.6
249.14757	4.3
259.08081	3.1
267.12250	17.7
267.15759	2.7
277.09183	1.5
285.13434	0.6
285.16980	0.9
292.84647	0.7
295.10101	1.2
303.05084	4.0
419.92789	0.7
479.24310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
51.36286	3.3
55.05514	10.3
55.74058	4.2
57.07069	32.0
57.32618	3.6
67.05479	5.1
69.07043	25.3
71.08604	29.4
76.57014	4.1
81.07050	26.8
83.08605	22.3
85.10174	9.6
93.07015	7.2
95.08595	21.1
97.06516	5.4
97.10151	5.1
105.07010	10.4
107.08573	5.9
109.06483	9.3
109.10174	5.7
109.18777	3.6
112.47599	4.4
119.08614	5.2
121.76502	3.5
123.08035	6.8
125.05980	26.8
127.07520	27.4
137.09534	4.1
139.07526	100.0
149.57658	3.8
151.07457	4.0
166.70422	3.9
177.09076	16.8
273.32553	4.4
347.33212	6.6
417.37155	8.3
445.36847	36.3
463.37756	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	464.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01862	22.8
57.03427	35.0
58.86680	0.8
59.04977	4.2
61.02917	16.3
61.04713	0.8
65.52827	1.1
69.03416	43.4
71.01339	5.9
71.04971	1.9
73.02898	57.1
73.98761	0.8
75.04477	1.2
79.05468	1.7
81.03398	8.4
81.07033	1.5
83.04983	1.4
85.02889	93.0
87.04459	7.5
87.68331	0.9
91.03934	3.9
91.05470	4.0
92.78867	0.9
93.07007	1.8
97.02869	56.4
99.04436	4.8
100.16164	1.0
103.03950	3.6
105.07023	3.9
109.02875	6.9
109.06470	1.8
110.12895	1.2
115.03915	28.0
117.07001	2.1
121.02843	100.0
123.04501	1.1
127.03895	22.4
133.04939	31.7
133.10136	1.1
135.11703	1.4
145.04926	21.5
147.08041	1.1
153.05444	92.2
163.06023	7.3
169.04886	1.9
169.12202	1.4
170.05280	2.0
175.11128	1.1
193.05014	1.1
199.05974	1.2
217.07124	1.3
223.05927	3.5
241.07059	4.2
259.08139	1.9
267.12177	2.3
267.15729	1.4
295.10321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34946	3.0
52.73523	3.0
55.01869	6.2
55.05498	16.0
57.07064	17.2
61.45945	3.3
67.05484	5.6
69.07050	19.3
71.08607	8.4
79.05464	6.1
81.07026	5.9
82.96545	4.1
83.08619	5.5
85.74660	3.8
91.05463	5.3
93.07060	6.4
95.08598	6.1
97.10137	4.5
107.04913	14.2
108.97478	3.6
109.02885	17.5
119.08576	5.6
125.02325	29.4
133.02866	5.1
135.04385	18.5
151.03920	19.4
153.05528	5.8
161.02301	14.3
179.03326	8.2
195.18568	3.8
197.04411	100.0
212.03156	3.7
257.29767	4.0
258.84662	3.8
398.81137	4.2
463.34256	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.7
55.05509	15.3
57.07072	22.6
66.48397	1.9
67.05503	2.9
69.07066	19.4
71.08612	11.0
79.05471	14.2
81.07025	12.1
83.08586	15.9
85.10131	2.4
91.05453	5.0
92.08708	2.7
93.07032	18.9
95.04935	2.9
95.08585	8.3
97.02867	4.8
97.10168	4.1
105.03335	3.6
105.06991	8.9
106.63406	2.3
107.04932	13.0
107.08576	18.7
109.02871	13.0
109.10145	4.4
115.03921	2.0
119.08565	3.8
121.10148	4.2
125.02339	27.2
126.64482	1.9
131.08533	4.0
133.02773	7.7
133.10115	3.9
135.04401	15.4
135.08087	2.2
135.11707	4.1
145.09930	2.2
151.03873	24.6
153.05440	8.0
161.02338	19.9
161.57561	2.0
167.03276	2.4
179.03308	16.4
185.04407	4.5
197.04428	100.0
252.90076	2.0
253.10492	3.6
263.40820	2.3
281.13840	2.5
407.27612	3.0
463.34088	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.39545	3.8
55.05498	20.6
57.07068	41.8
60.32834	4.0
66.39707	4.2
67.05513	4.9
69.07047	29.0
71.08604	21.2
74.75067	4.9
78.84948	4.8
81.07040	19.0
83.08591	18.7
85.10195	5.4
86.16812	4.5
93.07014	8.8
95.08595	11.8
99.04451	4.3
105.07044	10.5
109.06519	11.3
109.10151	6.7
123.08015	18.8
125.05965	11.2
127.07553	24.3
133.02788	5.5
137.05873	5.2
139.07510	100.0
149.05891	5.2
151.07530	6.6
238.52612	4.9
347.33154	7.6
417.36917	6.0
445.36954	49.2
463.37866	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
51.27988	0.1
57.03387	0.1
60.01534	0.1
67.05452	0.2
69.03376	0.2
74.50205	0.1
79.05428	0.3
81.07001	0.5
85.02843	0.5
91.05415	0.3
93.06980	0.3
95.04919	0.2
95.08552	0.2
97.02831	0.1
105.06972	0.6
107.08530	0.6
109.06416	0.2
119.00754	0.2
119.08524	0.2
121.10071	0.3
133.10062	0.7
135.83875	0.1
137.05917	0.2
146.52405	0.2
151.07436	0.2
153.01767	0.6
229.04941	0.2
255.71251	0.1
258.05170	20.3
259.05551	0.2
265.14285	0.2
265.17709	0.2
286.04654	50.0
287.04971	0.3
301.07004	100.0
302.07278	1.2
463.12015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10863	1.1
55.01855	2.5
57.03426	26.3
61.02899	6.7
61.96783	1.4
64.73949	1.2
67.05483	1.6
69.03421	10.8
69.07037	1.1
71.01332	1.4
71.04984	10.5
73.02899	43.8
79.05468	5.4
81.07038	5.9
85.02892	15.4
91.05461	26.7
93.07030	2.2
94.04122	2.0
95.04934	6.2
95.08618	1.6
97.02888	3.1
103.05433	5.8
105.07030	9.4
107.04918	7.4
107.08569	2.4
109.06479	6.6
111.07948	1.1
114.58878	1.4
115.03905	1.6
115.05434	3.0
117.06980	3.1
119.04918	23.5
119.08575	2.6
121.06495	11.4
122.03598	5.5
123.08081	1.6
128.06110	4.1
129.06956	16.4
131.04890	9.3
131.08551	3.1
133.06436	2.9
133.10088	10.9
134.10429	7.2
135.08034	7.0
136.05161	1.7
137.05956	100.0
143.04918	2.6
145.06422	4.9
146.03528	4.8
149.05962	9.2
151.03957	9.6
151.07515	83.4
151.28629	1.3
152.06148	2.4
153.07014	1.4
157.06451	14.3
161.05948	25.5
161.09573	8.2
162.06587	1.4
163.07497	25.0
165.06981	9.1
165.09045	5.1
167.07153	1.8
167.08516	16.5
169.06514	2.1
171.07983	2.9
173.06003	1.4
174.06767	9.5
175.07474	16.8
177.05518	1.9
177.06955	1.7
177.08998	2.8
178.07732	6.4
181.06453	2.4
182.07208	1.9
184.08736	1.7
189.09064	25.6
191.07007	2.3
192.09290	1.3
193.06442	7.9
193.10112	10.7
194.07150	5.2
195.08025	24.8
195.09779	2.2
196.08784	2.4
197.06021	4.7
199.07523	2.0
203.06938	2.7
203.08597	1.8
205.06526	2.0
205.10233	1.9
206.07373	1.9
207.10139	3.1
209.07907	2.0
209.09679	2.8
210.06728	8.5
211.07631	1.5
212.08179	5.3
219.07925	1.8
221.06032	10.4
221.09486	11.0
223.07532	11.9
224.08235	2.7
225.09065	12.6
227.07007	2.1
227.10655	28.9
230.07094	1.4
231.07872	1.9
233.09637	3.0
234.06676	1.7
235.07513	2.8
237.09079	6.6
238.06200	5.2
238.09854	5.2
239.10742	1.5
240.07759	2.9
241.08571	3.1
249.09071	9.0
250.09743	1.4
252.07721	1.7
253.08548	15.2
253.12135	12.9
255.06624	1.8
255.10074	21.7
261.08920	1.8
265.08505	9.0
265.12128	1.8
267.10114	10.4
269.07956	5.7
269.11765	1.7
272.10510	2.1
274.09750	1.4
277.08603	1.6
279.10165	2.0
281.11627	6.5
284.10440	2.4
285.11230	18.6
287.09851	2.1
287.12753	40.6
289.08246	1.6
293.11459	4.4
297.11200	5.1
299.12604	4.7
301.14182	1.5
302.04312	2.7
305.11584	2.1
309.11234	9.1
311.12692	8.2
313.14240	30.6
317.06470	21.4
321.10803	1.8
323.12650	2.2
331.15323	48.5
335.12881	1.6
341.13638	3.3
343.15347	14.2
367.15305	1.9
409.16406	2.5
427.17316	1.8
447.34763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07297	4.6
52.40146	4.1
54.81984	5.0
55.05500	4.3
57.03411	3.7
58.59781	3.8
58.73768	3.5
59.47583	3.7
59.69165	4.1
62.47818	3.3
63.04931	3.7
64.33529	4.3
67.05507	8.6
69.07059	4.9
73.53880	4.0
75.39279	4.9
79.05482	9.8
81.07044	17.4
83.67738	4.3
90.22768	4.1
91.05472	28.1
93.07021	72.6
95.04964	6.4
95.08582	10.6
105.07022	81.2
107.08579	26.8
109.06517	8.9
109.10197	4.9
117.07014	5.7
119.08599	17.9
121.10107	34.3
131.08560	49.0
133.10103	100.0
135.08038	24.0
145.10062	5.9
147.11690	17.8
149.09689	5.4
149.13254	6.2
153.09064	8.1
153.55199	4.7
157.07875	4.4
158.10875	4.8
163.14828	6.2
167.91776	4.5
173.13231	69.3
183.49460	4.4
191.14256	34.6
205.19490	5.0
209.15323	19.9
219.17464	9.9
220.13124	4.4
423.76172	4.9
434.08295	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	463.1232
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
51.42923	0.1
55.92400	0.1
57.78289	0.1
68.99741	0.1
85.02858	0.2
90.26118	0.1
97.02802	0.1
99.04369	0.2
103.03886	0.2
117.78223	0.1
124.01501	0.2
127.03829	0.3
128.14732	0.1
134.03557	0.7
137.02258	0.4
152.01004	0.2
153.01799	1.3
167.03317	0.5
169.76651	0.1
170.02008	0.6
171.93605	0.1
191.54576	0.1
198.81398	0.1
211.09627	0.2
213.05429	0.2
229.04953	0.5
258.02448	0.2
258.05173	6.7
269.04407	0.8
285.03845	3.1
286.04657	45.4
287.05081	0.7
301.07010	100.0
302.07428	1.3
463.12204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08867	0.6
53.03939	0.8
55.01861	1.2
55.05511	8.5
59.04996	19.6
64.32693	0.7
65.15494	0.6
67.05491	4.9
69.07056	1.4
71.04976	3.1
73.06547	3.0
79.05470	6.8
81.07056	7.5
82.73232	0.7
83.04971	56.2
84.03795	0.6
85.02888	8.6
85.06567	0.9
86.49945	0.6
87.04456	72.8
91.05436	7.1
92.08639	1.3
93.07027	9.4
95.04949	4.6
95.08591	15.9
97.06516	3.5
99.04437	0.8
99.08092	6.9
105.07002	4.6
107.08588	3.6
109.06490	1.6
109.10144	1.1
111.08048	1.0
113.09637	33.4
117.06987	1.3
119.08572	2.9
121.06512	1.0
121.10177	1.0
123.08056	10.1
125.09602	0.9
131.04887	1.0
131.08562	0.9
133.10107	1.5
135.08020	0.9
135.11711	1.3
137.09679	0.9
141.09096	40.3
145.10130	0.9
157.10168	0.8
159.10153	100.0
163.11172	0.7
177.08864	0.9
221.88205	0.6
224.38493	0.7
362.40662	0.7
443.41528	0.7
462.28815	4.5
463.23816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29130	0.4
54.52457	0.3
57.15451	0.3
59.58967	0.4
61.02864	0.3
69.03407	1.0
69.07029	0.4
72.61736	0.4
77.10848	0.4
79.05449	0.4
81.07025	0.5
83.04950	0.6
85.02883	2.5
85.03386	0.3
88.98987	0.3
89.93590	0.4
91.05468	0.5
91.25083	0.3
93.07030	0.5
95.04933	0.4
97.02908	0.4
105.07019	3.1
107.08548	1.0
109.06477	3.3
111.04379	0.5
113.05986	0.4
115.48368	0.4
117.06993	0.8
119.08549	4.5
121.10135	0.6
123.08025	0.5
131.08513	3.1
133.10132	3.1
135.08028	1.7
135.11656	0.5
137.05904	0.5
143.08574	0.7
145.09148	0.4
145.10109	4.1
147.08031	2.2
147.11662	17.4
149.09596	0.8
151.07530	0.5
156.09219	0.8
157.10086	11.9
159.08011	2.2
159.11667	21.1
160.08783	0.6
161.09572	1.7
161.13162	1.7
163.11084	0.8
165.09058	0.5
169.10103	0.5
171.11661	7.1
172.08777	0.9
173.09537	1.5
173.13295	3.4
175.11147	100.0
176.11433	0.7
177.12675	1.7
179.10764	0.6
183.11702	0.8
187.11139	13.0
189.12727	4.4
191.10590	0.5
193.12210	0.6
201.12712	6.6
203.14189	0.6
205.12206	9.9
207.10262	0.6
217.12202	8.5
219.13733	5.5
229.12239	3.8
235.13246	17.7
245.10347	0.4
247.13242	14.2
253.14276	1.7
253.62334	0.4
265.14313	9.1
283.15332	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	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.9
55.05487	0.5
57.03173	0.8
57.03432	15.4
59.04990	1.3
61.02916	5.9
63.86365	0.4
67.05481	0.7
69.03421	19.7
71.01342	3.8
71.04964	0.7
72.04505	1.1
73.02903	18.4
79.05469	2.7
81.03404	3.5
81.07031	3.8
84.01740	0.4
85.02892	49.1
85.65222	0.4
87.04446	3.1
91.03932	0.8
91.05473	3.8
93.07034	4.5
95.04944	1.1
95.08594	2.1
97.02874	20.5
97.06492	0.9
99.04436	2.6
103.03936	1.3
105.07019	100.0
107.08567	3.1
109.02866	4.7
109.06503	2.4
109.10079	0.6
114.08384	0.5
115.03903	8.6
117.06996	0.8
119.04979	0.6
119.08573	4.6
121.06525	1.0
121.10146	2.3
123.11732	0.6
127.03898	8.0
131.08548	5.7
132.06554	0.8
132.08904	0.9
133.04948	7.0
133.06467	0.9
133.10112	74.1
135.07980	0.6
137.05989	2.1
142.07762	0.7
143.08525	0.9
145.04967	9.1
145.10092	5.1
147.08041	2.6
147.11707	1.0
150.07608	0.8
157.10175	4.7
159.08119	0.8
159.11697	2.2
161.09607	0.9
163.05994	3.5
163.07336	0.5
173.09586	2.4
173.13228	2.1
175.11214	2.2
177.08910	0.6
183.11719	2.2
201.12737	2.7
211.11211	0.7
219.13820	0.9
223.06046	0.6
229.12233	5.1
247.13319	3.2
259.08044	0.7
259.13278	0.6
265.14319	4.5
277.09436	0.6
283.15289	0.8
313.16440	1.0
410.25873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05507	1.9
57.03434	1.0
61.02913	1.3
61.99098	0.8
64.33530	0.7
65.03934	0.9
66.72870	0.8
67.05517	6.3
67.13474	0.9
69.03413	15.1
69.07069	1.1
71.04966	1.8
79.05486	5.0
81.03400	3.1
81.06621	0.9
81.07048	4.5
83.04959	5.0
85.02887	13.7
91.05428	7.3
91.73124	0.8
93.07012	9.7
95.04935	13.5
95.08576	5.7
97.02884	5.1
97.06470	1.1
99.04408	1.7
105.07005	19.4
107.04975	1.1
107.08591	8.5
109.02886	3.4
109.06493	8.7
109.10153	1.8
111.04425	9.3
111.08034	2.0
113.05988	5.2
115.05450	0.9
116.06256	1.1
117.07005	5.3
119.08545	24.7
121.02870	2.0
121.05681	1.3
121.06478	13.4
121.10126	3.4
123.04397	0.8
123.08051	11.2
129.07021	3.4
131.08565	12.3
133.06500	3.6
133.10133	6.3
135.07074	1.2
135.08037	22.9
137.09593	4.3
139.03897	0.9
139.07498	1.1
141.06984	1.7
142.07777	1.8
143.08548	7.7
144.05725	0.8
144.09344	1.8
145.06509	3.1
145.10107	11.7
147.08026	13.6
147.11697	4.8
149.05969	1.0
149.09621	4.8
155.08524	1.3
156.09393	1.7
157.10109	7.8
158.07274	6.4
159.07997	13.1
159.11682	11.1
160.08804	1.0
161.06026	1.0
161.09570	12.2
161.13197	1.2
163.07561	1.4
165.09077	8.7
168.09329	1.8
169.10022	2.4
171.07980	1.6
171.11690	4.5
172.08791	7.8
173.09532	7.1
173.13222	7.9
175.07513	19.0
175.11145	11.6
183.11702	3.3
185.09589	1.8
186.10271	1.2
187.11143	12.1
189.09142	4.2
189.12721	3.4
193.08592	3.6
193.10156	1.3
196.08781	3.4
199.11090	9.1
201.12711	10.3
203.10635	12.1
205.12260	0.9
211.11139	7.4
217.12138	6.7
219.13884	3.2
229.12195	7.1
235.13306	1.5
247.10713	0.9
247.13246	26.2
265.14288	100.0
344.52863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76874	0.7
56.51366	0.8
69.07060	0.9
72.11231	1.0
79.05481	1.1
81.07047	3.7
92.50018	0.9
93.07049	3.8
107.08622	1.4
109.10150	1.2
121.10112	1.2
122.13255	0.9
135.23474	0.9
147.11765	0.9
149.13333	1.0
161.05739	1.4
161.09358	8.7
167.97531	0.8
177.08853	100.0
190.40666	0.9
193.08363	2.1
219.41502	1.4
261.14563	1.9
272.60794	0.9
275.16104	18.0
277.14212	3.6
284.01859	1.1
291.15695	1.7
429.25943	2.2
461.28510	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75077	0.5
55.01857	0.9
55.05493	3.2
55.84191	0.6
57.03408	1.6
61.02911	1.1
63.81394	0.6
65.03909	1.2
67.05499	8.0
69.03419	15.7
69.07053	0.9
71.04978	1.3
79.05465	3.6
81.03400	1.4
81.07040	5.0
83.04950	4.1
85.02898	13.6
87.04417	0.9
89.00521	0.8
91.05463	9.4
93.07030	12.2
95.04951	15.9
95.08587	6.0
97.02857	4.7
97.06507	1.7
99.04443	1.5
100.26542	0.7
105.07010	16.7
107.08590	6.4
109.02899	2.7
109.06506	9.4
109.10133	1.6
111.04428	8.9
111.08070	1.2
113.05984	4.5
117.06976	3.3
119.08559	24.4
121.02839	2.5
121.06493	12.0
121.10126	3.9
123.01974	0.8
123.08032	10.6
127.03895	1.3
128.06207	2.7
129.06985	3.6
131.08551	13.4
133.06447	3.8
133.10132	6.0
135.07069	1.2
135.08035	21.8
137.09608	4.6
139.03932	1.4
139.07509	0.9
141.06926	1.6
142.07762	2.9
143.08533	6.5
144.09308	1.3
145.06450	3.9
145.10106	10.9
147.08054	14.2
147.11678	3.5
149.06006	1.2
149.09599	4.1
153.07045	0.8
155.08466	1.4
156.09328	1.6
157.10149	7.5
158.07196	5.7
158.10852	0.9
159.08017	14.4
159.11681	13.3
161.09578	15.1
161.13248	1.1
165.09093	8.8
168.09328	3.1
169.10110	2.9
171.08060	3.4
171.11658	6.6
172.08830	7.6
173.09569	6.1
173.13196	8.3
175.07521	24.7
175.11157	11.8
181.10016	1.1
183.11658	4.0
185.09607	1.7
185.13243	1.0
186.10333	1.3
187.07594	0.8
187.11156	14.8
189.09117	4.8
189.12675	5.4
193.08562	4.5
193.10097	1.0
196.08836	3.9
199.11150	10.5
201.12726	11.5
203.10628	12.6
205.12181	1.1
207.10048	1.1
211.11157	8.4
217.12184	6.7
217.57393	0.7
219.13681	2.4
229.12183	8.5
235.13300	1.1
247.13243	25.7
265.14297	100.0
268.22620	0.7
323.94943	0.7
394.89645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10981	5.1
55.05506	10.8
65.03297	4.3
67.05492	11.8
69.07043	25.5
71.04969	8.6
76.56623	4.8
79.05492	35.8
81.07036	55.8
83.08582	6.8
91.05465	48.5
93.03140	7.8
93.07042	66.6
95.04954	10.6
95.08590	33.2
97.06536	8.3
105.07027	60.4
107.08593	61.6
109.06490	5.9
109.10160	21.6
111.08121	6.1
117.07005	12.2
119.08569	51.6
121.06471	8.0
121.10143	35.0
123.08039	7.1
123.11693	5.7
129.06989	5.9
131.08542	27.0
133.10120	30.7
135.08038	19.8
135.11670	23.5
139.07358	7.6
143.08638	6.9
145.10110	22.8
147.11688	21.1
149.13216	5.5
151.07410	10.9
151.40283	4.8
159.11678	9.7
161.09386	27.9
161.13219	6.9
173.09479	6.4
175.11247	6.2
175.14757	5.9
177.08795	49.5
177.21173	5.7
188.37045	4.7
191.10338	7.3
193.06236	25.2
193.15839	5.7
201.16391	10.4
205.12064	5.1
206.10660	5.8
209.05905	6.2
209.11473	17.4
221.11473	11.9
223.16891	5.5
225.10921	7.5
225.45065	5.0
231.11389	7.7
235.12914	6.2
259.16672	7.1
261.14548	24.3
275.16083	9.1
277.11874	7.8
293.17349	7.4
309.16629	6.1
443.27472	5.7
461.28384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.0
58.75345	2.1
79.05483	4.4
81.07034	11.6
82.46407	2.2
91.05471	2.8
93.03185	2.9
93.07033	10.5
95.01077	3.2
95.08591	2.7
104.72019	2.5
105.07034	6.3
107.08566	5.4
109.02654	2.3
109.10153	2.7
116.01209	2.3
119.08597	3.4
121.10149	2.5
133.10097	4.0
145.10143	4.4
147.07837	2.7
151.07320	5.4
161.05727	24.9
161.09509	4.9
173.09549	3.1
177.08850	57.8
191.10391	2.8
193.08356	13.4
205.11734	2.6
206.24825	2.5
259.16629	3.4
275.16153	71.0
275.32800	3.3
277.14084	100.0
293.17111	4.4
336.85434	2.6
345.20313	5.7
401.22858	16.9
443.27783	3.3
461.28632	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	460.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01859	0.6
55.05498	0.8
57.03436	0.8
61.02908	1.6
64.95828	0.4
67.05499	0.8
69.03415	5.1
69.07054	0.8
70.06570	0.4
71.04980	0.8
73.02898	0.8
74.09716	0.6
75.37701	0.3
75.69265	0.3
78.40925	0.3
79.05471	1.4
81.03391	1.7
81.07043	0.5
83.04962	0.7
85.02890	10.2
87.04465	0.4
88.55987	0.3
91.03906	0.4
91.05465	1.6
92.08694	0.6
93.07027	1.5
95.04920	1.4
95.08585	5.5
97.02882	3.3
97.06505	3.6
99.04428	1.5
105.06992	2.5
107.04947	0.7
107.08590	2.3
109.02863	0.6
109.06503	1.5
111.04426	0.5
119.08571	2.0
119.45006	0.3
121.06470	2.1
123.08041	100.0
124.08412	0.4
125.05959	0.3
127.03869	1.6
129.07011	0.5
131.08554	1.9
133.10072	1.4
135.08009	1.9
135.28516	0.4
137.05939	1.3
138.88034	0.3
139.07556	0.7
142.07733	0.7
143.08499	1.3
145.04939	0.8
145.06401	0.5
145.10068	0.6
147.07999	1.8
147.11705	0.8
149.05904	0.4
149.09602	1.5
151.07503	0.4
156.09224	0.4
157.10059	0.9
159.08041	2.8
159.11687	2.5
161.09555	1.7
161.13185	0.4
163.07484	0.8
163.11343	0.4
165.09076	97.9
166.09404	0.6
167.06978	0.7
171.11653	1.4
172.08774	0.6
173.09583	1.5
174.06752	0.6
175.11159	2.6
177.09076	1.7
183.08037	0.3
184.08806	0.6
185.09564	0.7
187.07455	0.7
187.11113	1.4
189.12668	0.6
189.69360	0.4
197.09570	0.4
199.11075	2.7
203.10629	2.0
205.08580	1.3
212.08325	0.6
215.10635	1.4
217.12187	1.6
227.10594	0.8
233.11601	2.7
235.13293	0.4
245.11652	1.8
263.12735	23.2
281.13736	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	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
54.81631	0.8
55.01870	12.7
56.98273	0.8
57.03429	11.7
58.46487	0.8
60.04508	2.1
61.02913	6.6
68.99776	4.7
69.03417	44.1
71.04987	9.3
73.02903	11.6
81.03401	45.0
83.04953	1.2
85.02892	100.0
87.00816	55.2
87.01363	1.7
87.04458	1.1
88.81889	0.8
91.03941	2.3
91.05473	4.2
92.09216	1.4
93.07040	1.8
95.08622	1.8
97.02875	42.7
98.06029	1.2
99.04439	19.3
103.05457	8.5
105.01851	21.3
105.07026	4.2
107.04948	9.3
107.08598	1.6
108.04453	8.1
109.02867	39.5
115.03935	1.3
117.01830	7.6
126.05496	5.4
127.03897	57.1
127.97869	1.1
129.01833	6.3
131.04880	1.7
133.10123	1.1
135.08047	10.1
139.03874	5.0
143.08606	1.1
145.04938	18.9
146.50533	1.0
147.02888	3.8
148.05176	1.2
151.07462	1.5
154.06232	49.5
159.02870	21.0
163.07509	33.0
167.07008	1.9
170.69707	1.1
178.41350	0.9
180.07718	1.6
195.10135	77.6
213.03864	1.3
230.06708	2.3
231.05009	10.4
238.02631	1.0
244.57742	1.2
248.07597	5.1
249.06068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51321	0.5
53.03941	11.9
55.01625	1.0
55.01868	14.2
57.03430	9.3
57.16836	0.5
57.86751	0.5
60.04514	1.4
61.02919	10.4
62.14949	0.6
68.99781	5.1
69.03419	45.7
71.01322	0.8
71.04974	7.4
72.80833	0.6
73.02900	11.1
79.05483	2.8
80.05009	1.1
81.03403	48.6
83.01328	0.9
83.04952	1.1
85.02891	100.0
87.00814	53.4
87.04454	1.0
90.18944	0.6
91.03942	3.9
91.05465	3.0
93.07030	0.9
95.04959	2.6
97.02872	40.0
98.06053	0.9
99.04433	18.3
99.05029	1.0
103.03923	1.1
103.05451	3.8
105.01857	24.3
105.07019	7.5
107.04941	55.0
107.08595	1.2
108.04477	8.7
109.02865	38.5
114.37994	0.7
115.03963	1.0
115.05457	3.2
117.01842	6.6
117.07005	2.8
123.04406	0.7
125.06010	0.7
126.05470	4.6
127.03895	48.6
129.01836	4.1
129.07076	0.8
131.08534	0.8
135.08029	16.3
137.06036	0.6
145.04939	15.7
147.02914	2.9
147.08067	0.7
148.05145	1.0
159.02869	21.8
159.08083	1.1
163.07512	52.1
167.07005	17.1
174.09833	0.7
175.07581	0.9
177.15274	0.6
180.07730	5.1
181.05003	0.8
187.07556	1.3
189.03976	2.5
195.10136	82.1
205.08617	0.7
207.10143	3.5
213.03929	1.3
230.06630	1.4
231.04936	9.4
235.09784	0.7
243.10609	0.6
248.07613	3.7
266.08667	1.1
266.57858	0.7
271.08228	0.7
277.56064	0.6
285.11057	2.1
303.12186	3.2
361.16058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3082
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
55.05494	2.6
57.07045	0.7
67.05484	3.7
67.39149	0.7
69.07043	4.1
71.04980	0.8
78.74033	0.8
79.05470	1.4
79.31109	0.6
81.07041	7.3
91.05463	4.6
93.07024	7.8
95.04935	1.2
95.08593	6.2
105.07008	9.4
105.91451	0.7
107.08601	8.4
109.10138	3.8
113.10433	0.7
117.06928	1.2
119.08543	6.5
121.06495	2.8
121.10094	5.1
123.11711	1.3
131.08540	3.4
133.10117	3.7
135.08022	1.3
135.11707	1.3
140.88672	0.7
143.08507	0.9
145.10085	5.5
147.11668	3.9
149.13205	1.4
157.10109	1.0
159.11690	3.1
161.09555	1.3
161.13231	1.7
175.14824	1.4
199.14835	0.8
201.16441	1.3
209.07925	1.3
275.16193	9.3
278.64047	0.8
423.31973	1.1
459.30716	100.0
460.30997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01868	1.2
55.05508	9.3
57.03441	1.4
57.07065	2.3
59.04972	0.8
61.02923	0.9
62.41135	0.8
67.05494	17.4
69.03056	1.4
69.03403	13.6
69.07054	14.0
70.48535	0.8
71.04996	4.3
73.02915	1.1
76.59881	0.8
79.05476	3.7
81.03392	4.0
81.07046	24.8
83.04956	11.5
83.08595	8.5
85.02888	9.3
85.06531	2.1
87.00810	4.8
88.50991	0.9
90.76419	0.8
91.05459	4.6
93.07033	12.4
95.04954	1.7
95.08590	36.5
97.02873	4.8
97.10162	1.7
99.04453	1.0
99.08066	4.3
105.01830	1.0
105.06997	8.9
107.08579	26.3
109.02861	3.7
109.06517	12.7
109.10147	100.0
111.08076	3.9
113.09666	1.4
119.08562	28.0
121.10121	12.6
123.08062	15.6
123.11694	12.8
125.09673	1.2
127.03907	3.5
133.10118	20.6
135.11676	74.8
136.12035	1.8
137.09598	15.1
139.11168	1.3
145.10068	1.6
147.11659	1.8
149.09746	1.0
149.13261	6.3
151.07533	1.6
151.11186	11.0
151.14793	14.8
153.12727	1.8
153.70427	0.9
165.16335	1.8
175.14807	27.8
179.22379	1.0
191.10646	0.9
193.14081	1.3
193.15857	39.4
211.16916	64.2
283.89590	1.1
433.86868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05171	0.5
53.03938	2.9
55.01857	2.6
55.05497	5.9
57.03426	1.3
57.07072	0.9
57.83456	0.5
59.04992	1.1
61.02901	0.9
65.03924	1.5
67.05485	6.9
69.03414	6.8
69.07059	3.6
69.88470	0.5
71.04971	4.2
79.05470	22.6
81.03405	3.8
81.07032	9.3
83.04945	3.0
83.08588	1.2
85.02893	10.6
85.06533	1.0
91.05457	18.7
91.05999	0.9
93.03403	5.2
93.07024	22.8
95.04942	5.8
95.08588	23.1
96.59495	0.6
97.02856	3.7
97.06527	1.5
97.10144	1.1
99.04436	1.4
99.08057	1.0
99.84435	0.7
103.05418	1.4
105.03404	0.7
105.07007	19.5
107.04919	2.7
107.08584	11.0
109.06515	4.3
109.10134	6.5
111.04423	0.9
111.08067	0.8
113.06014	3.7
115.05423	1.1
117.07005	7.9
119.04955	0.8
119.08563	14.0
121.06489	4.1
121.10149	2.8
123.04405	18.9
123.08048	3.4
125.05994	0.9
127.03919	1.3
128.06252	0.9
129.06999	3.6
131.08545	13.6
133.06468	3.5
133.10095	6.3
135.04384	0.6
135.08028	1.1
135.11668	0.8
137.05963	17.0
137.09566	1.5
139.07466	0.9
141.07045	1.1
142.41682	0.7
143.08501	4.9
145.05017	0.6
145.06505	2.7
145.10112	17.2
147.08044	8.0
147.11676	1.3
148.08849	1.2
149.05957	3.8
149.09590	1.2
151.07521	4.7
151.11148	1.5
155.08595	2.6
157.10150	1.2
159.08047	4.9
159.11670	2.9
161.09622	0.9
163.07520	3.8
168.09256	0.8
169.10091	0.7
173.09613	1.1
173.13217	8.7
176.08438	0.6
177.09114	1.1
180.08730	0.8
183.11641	4.7
187.07568	0.9
187.11108	1.2
189.09090	0.7
199.86923	0.8
201.12761	6.1
201.16367	0.8
219.13705	0.7
229.12193	2.7
247.13213	4.1
261.14920	0.9
265.14297	45.4
279.15851	100.0
395.58450	0.7
399.54633	0.7
422.64734	0.7
459.09613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44876	0.6
51.88165	0.7
55.01861	3.8
55.05519	1.1
56.31225	0.7
56.77703	0.8
56.96586	0.8
57.03431	16.1
57.07064	1.6
59.04995	1.4
59.09368	0.7
61.02912	1.7
63.12426	0.9
63.63624	0.6
65.03924	3.7
67.05493	42.4
69.03417	24.9
71.01318	0.8
71.04974	1.6
73.02900	7.3
73.06538	1.6
75.04454	1.0
79.78474	0.8
81.03403	1.2
82.74498	0.7
83.04964	4.0
84.04454	0.8
85.02895	29.3
85.06530	44.9
86.09711	1.1
87.04453	11.9
89.40906	0.7
97.02868	20.2
101.06002	70.1
104.48781	0.8
109.02890	1.1
111.04388	1.7
115.03905	14.9
119.07043	3.5
123.04395	0.8
127.03907	4.7
128.56824	0.7
129.05464	11.1
133.04955	11.6
135.70833	0.7
137.05952	1.2
145.04933	3.1
147.06509	100.0
151.73912	0.9
186.71802	1.0
196.68057	1.0
243.03633	1.0
255.63887	0.9
279.10605	1.3
307.06143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73131	0.1
69.03405	0.2
69.07045	0.3
79.05478	0.3
81.03366	1.3
85.02886	0.9
85.06512	0.3
91.05452	0.4
92.34023	0.1
93.07022	0.9
97.02916	0.2
103.03965	0.2
103.05450	5.5
107.04935	1.9
107.95369	0.1
109.02882	0.2
113.05983	0.2
117.90710	0.1
120.08085	100.0
121.08436	0.8
127.03901	0.3
128.06178	0.3
131.04889	2.6
131.07005	0.6
136.07680	0.1
136.34639	0.2
138.18916	0.1
143.08543	0.3
149.05946	1.9
153.07016	0.1
155.08539	1.9
166.08609	27.3
187.07542	1.0
196.43678	0.2
199.07523	0.3
225.05232	0.2
243.06406	0.2
261.07684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
54.14247	3.0
55.05496	27.4
56.57129	3.2
57.07072	31.7
62.73897	3.2
67.05484	35.2
69.07051	66.5
70.06576	28.1
71.04956	4.7
71.08610	19.7
73.02891	5.8
79.05463	39.4
81.07034	96.7
83.08588	27.0
85.06538	6.0
85.10157	3.6
88.07603	31.8
91.05464	38.4
93.07017	77.0
95.04951	9.6
95.08585	93.4
97.10118	6.7
102.09161	18.5
105.07010	86.7
107.08566	100.0
109.06494	7.6
109.10139	35.7
117.06998	9.5
119.08561	80.4
120.43937	3.8
121.06491	9.5
121.10131	84.1
123.07954	6.5
123.11691	26.7
129.06952	6.3
130.53398	3.5
131.08534	35.6
133.06418	5.3
133.10104	44.6
135.08026	23.8
135.11679	41.0
137.13213	16.9
143.08516	21.1
145.10101	52.6
147.08086	7.5
147.11650	51.7
149.09564	18.9
149.13223	16.1
155.08514	14.3
157.10168	15.8
159.11662	29.1
161.13194	21.1
163.11118	5.3
163.14688	4.3
169.10088	7.7
171.11636	8.4
173.13232	16.1
175.11153	4.3
175.14801	40.9
177.16319	62.9
185.13106	6.0
187.11105	5.8
187.14836	6.3
189.16318	15.2
191.17886	7.9
193.15970	3.8
200.20058	58.6
201.16359	30.7
201.20425	9.9
203.17888	26.8
211.14792	6.3
215.17867	6.1
219.17374	24.3
227.17883	7.5
231.17287	8.1
245.19070	4.7
251.17908	5.4
253.19495	4.2
271.20319	5.6
283.26254	55.3
284.26550	34.1
351.30420	9.6
363.30341	7.6
381.31665	6.1
403.33121	6.7
409.34601	5.6
421.34381	25.2
439.35751	18.2
456.44000	42.1
457.35312	21.6
457.44299	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81577	2.8
55.05502	17.2
55.05759	2.2
55.23060	2.4
57.07068	31.8
57.22346	2.4
67.05493	24.0
69.07056	33.4
70.06582	21.2
70.46785	2.4
71.08621	12.5
77.36360	2.4
79.05474	27.3
81.07038	66.4
83.08611	16.9
85.10220	2.6
87.36837	2.6
88.07607	20.7
91.05454	21.2
93.07027	79.1
95.04944	3.0
95.08596	78.9
97.10154	2.5
102.09169	10.7
105.07026	54.1
105.09608	2.7
107.08579	67.5
109.10140	38.6
112.46336	2.7
117.07042	2.9
119.08567	71.7
120.08837	2.8
121.06496	5.7
121.10119	81.5
123.11697	10.9
131.08562	11.4
133.10101	25.5
135.11671	25.4
137.13258	3.2
145.10103	22.0
147.11673	40.7
149.13274	14.5
157.10104	3.8
159.11690	13.3
161.13261	12.2
163.14812	3.3
173.13257	4.7
175.14789	11.5
177.16350	100.0
197.96730	3.0
200.20108	39.4
201.16365	16.8
201.20389	9.9
203.17947	52.8
212.14603	2.5
218.21036	2.7
219.17424	4.2
221.18988	3.0
237.18559	3.2
238.37975	2.8
251.93474	2.5
283.26294	33.7
284.26566	19.6
326.49380	3.1
403.33527	3.1
421.34561	25.8
439.35703	29.3
456.43845	31.1
457.34958	10.8
457.44312	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04227	0.2
81.63659	0.1
85.02913	0.1
85.95947	0.1
89.22019	0.1
105.06995	0.6
114.39165	0.1
115.05438	2.1
117.05762	0.9
119.76387	0.1
130.06435	0.1
131.04889	0.1
132.08060	3.8
133.05290	0.1
133.06445	0.7
136.06926	0.1
142.06522	0.7
143.07210	0.2
160.07545	100.0
161.07921	1.0
167.43942	0.1
177.10199	9.4
259.96408	0.1
290.76370	0.1
314.36844	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	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17126	1.0
53.03934	1.0
54.80044	1.0
55.05510	10.3
55.68351	1.3
57.07059	6.7
58.14017	1.1
67.05499	18.0
69.03423	1.6
69.07067	19.3
71.04994	1.7
79.05482	17.3
81.07044	89.9
82.07372	12.3
83.04954	2.7
83.08609	5.2
85.06546	2.3
91.05463	22.9
93.07030	50.7
95.04974	3.2
95.08594	38.9
96.08896	1.6
97.06517	5.9
97.10151	1.6
101.21365	1.2
105.07024	89.3
107.08582	41.0
109.06516	5.3
109.10157	25.2
111.08071	2.3
117.07032	8.3
119.08572	100.0
121.06482	6.9
121.10130	25.9
123.08077	2.4
123.11720	11.9
131.08543	11.5
133.10118	33.1
133.11057	2.3
135.08072	7.6
135.11652	11.9
137.09587	7.0
137.13239	6.8
139.07507	14.8
143.08545	6.7
143.74788	1.2
145.10139	14.3
147.08028	2.1
147.11678	49.5
149.09604	2.1
149.13274	7.8
153.09120	3.0
157.10146	5.6
159.11661	10.6
159.86377	1.6
161.09636	5.6
161.13234	15.4
163.11107	2.8
163.14833	2.8
173.13255	2.7
175.11098	1.9
175.14819	3.0
177.12735	1.9
177.16423	2.9
187.14857	2.4
189.16350	1.9
191.14319	1.9
201.16371	4.8
203.17940	69.7
209.15355	2.4
219.17436	3.0
221.15353	2.5
237.14861	1.9
379.47617	1.3
400.68365	1.5
439.36356	1.9
457.35394	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05507	13.1
55.16410	2.4
57.03455	2.0
57.07064	10.6
67.05502	17.4
69.03414	3.1
69.07069	27.2
71.04977	4.5
74.58942	2.2
79.05476	21.7
81.07052	51.1
83.04971	3.7
83.08614	5.0
85.02891	3.2
85.06554	3.9
91.05457	31.2
93.07036	100.0
93.07642	3.3
95.04941	5.6
95.08597	52.4
97.06541	17.2
97.10171	3.0
105.07022	70.9
107.08591	73.5
109.06535	13.0
109.10155	26.3
117.07015	13.8
119.08568	62.6
121.06491	27.8
121.10123	58.1
123.08055	5.2
123.11700	12.6
125.24021	2.3
131.08559	18.4
133.10121	35.0
135.08058	25.5
135.11685	26.8
137.09602	33.3
137.13231	4.6
139.07529	28.7
143.08542	5.4
145.10115	64.8
147.11667	23.7
149.09584	5.5
149.13223	21.2
151.11176	2.4
153.09103	5.6
156.09372	2.2
157.10178	8.8
159.07983	3.2
159.11719	33.3
161.09535	8.4
161.12025	2.8
161.13222	18.3
163.07552	2.4
163.11043	3.6
163.14859	4.6
165.09094	2.5
173.13246	13.6
175.11293	2.5
175.14816	17.9
175.22049	2.6
177.12779	3.4
177.16373	3.5
183.11711	3.8
185.13176	3.0
187.14845	3.6
189.16373	9.4
191.14320	9.5
191.17982	3.3
191.89674	2.8
193.15862	5.8
195.13791	3.3
201.16389	18.4
203.14354	3.5
203.18028	15.2
205.15833	2.6
209.15388	9.2
215.17986	2.6
217.15833	4.6
218.86360	2.4
219.13821	3.6
219.17410	21.3
221.15338	24.0
237.14946	5.2
439.31799	2.8
457.34811	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.2
57.03426	3.3
57.07063	2.2
59.04991	100.0
63.57679	1.3
69.03410	17.6
71.04967	1.6
73.02888	1.1
73.33046	1.2
77.84453	1.2
81.07042	19.2
83.04972	6.8
83.08594	1.9
85.02893	17.7
85.06528	78.4
87.04452	7.2
96.74129	1.3
97.02871	11.8
99.08096	1.6
101.06004	88.0
103.03928	34.4
104.04260	2.0
109.06507	14.1
115.03920	6.0
119.07054	1.5
120.04476	1.7
127.03918	1.7
127.07530	80.5
128.07854	3.5
131.97293	1.3
133.04955	5.5
141.06590	7.2
145.08586	83.7
146.08958	6.5
163.09621	43.7
232.10678	2.2
234.47426	1.4
260.10318	3.1
275.73767	1.7
278.11261	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32351	0.4
55.64413	0.5
57.03420	1.0
57.07097	0.4
59.04959	0.5
61.02894	0.9
65.50552	0.4
67.05492	0.8
69.03404	3.5
69.12842	0.5
70.06551	0.6
71.04971	3.1
73.02903	0.7
74.53474	0.6
81.07032	0.5
82.60605	0.5
83.79286	0.5
85.02890	8.4
91.05392	0.6
93.06998	0.5
95.04958	0.6
97.02863	2.7
103.05460	0.7
105.07024	0.8
107.04934	58.0
109.10111	0.8
113.05970	2.4
117.06992	5.6
119.04902	1.0
122.05975	2.5
127.03859	0.7
127.07526	0.5
127.11166	2.3
129.05426	0.7
129.06934	0.7
131.04880	2.9
131.06976	1.2
134.05978	2.2
136.07642	0.7
138.25966	0.5
144.08073	2.2
145.06459	30.5
146.05974	10.7
147.06741	0.6
148.07518	0.9
150.05508	0.5
154.06474	1.0
155.06015	2.8
156.08070	2.2
158.05936	0.7
159.06796	2.3
160.07535	18.6
160.08766	1.0
163.03902	1.2
171.06744	5.0
171.57503	0.6
172.07526	39.0
174.09096	22.8
176.33868	0.7
176.57069	0.6
183.06668	1.7
184.07539	15.3
196.92633	0.5
220.54759	0.6
234.09207	0.8
235.09937	0.7
237.07913	0.6
246.09117	1.0
248.10675	0.7
249.07747	4.8
250.08464	1.1
251.09393	3.2
252.10004	0.6
259.26135	0.5
260.10641	3.1
261.09109	0.8
262.08551	10.0
263.09378	14.3
264.10062	1.0
266.08948	0.9
266.11676	21.3
276.10144	3.8
278.11685	100.0
279.12036	0.9
295.14279	9.5
322.88013	0.6
428.16937	8.3
440.16928	35.1
457.13260	1.3
457.19434	15.1
457.25244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81979	0.4
57.03427	1.1
61.02895	1.0
63.71921	0.4
69.03407	3.2
70.05423	0.5
71.04957	0.9
81.03380	0.6
81.07029	0.8
81.60776	0.5
85.02883	5.1
85.06514	0.8
85.26543	0.5
91.05448	0.7
95.04996	1.0
97.02869	1.1
98.76020	0.5
103.05386	0.8
105.07011	0.6
107.04933	53.4
108.04494	0.8
109.06480	0.8
109.10136	2.4
112.32711	0.6
115.05444	0.6
117.06989	6.1
119.04881	1.0
122.05939	0.7
127.03864	0.6
127.07523	0.8
127.11189	1.3
131.04933	2.2
133.06512	0.6
133.85602	0.6
134.05997	1.3
135.46281	0.5
139.03867	0.6
144.08070	2.1
145.06461	25.2
145.08578	1.0
145.12207	0.8
146.06006	9.8
147.06673	1.0
148.07545	0.9
154.06450	0.9
155.06010	1.3
156.08115	0.9
159.06731	1.3
160.07527	18.3
163.03857	1.2
164.07011	0.6
171.06772	4.8
172.07536	35.7
174.09094	22.7
183.06648	0.6
184.07545	14.4
190.97951	0.6
233.09528	1.1
234.09148	0.8
235.09909	1.1
246.09088	1.0
249.07750	5.4
250.08562	2.5
250.12247	0.7
251.09364	2.8
252.10088	0.8
260.10742	1.2
262.08539	9.2
263.09384	13.9
264.09872	0.6
266.11670	23.7
276.10132	3.4
277.11658	0.7
278.11685	100.0
295.14331	10.2
350.89908	0.6
396.96780	0.6
403.38580	0.6
428.16940	7.7
440.16949	39.9
457.19614	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	456.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88821	1.1
53.00301	2.0
53.03951	1.9
55.05507	9.9
57.07067	15.2
59.04993	6.8
67.05498	22.4
69.07059	13.0
70.06577	10.3
71.08616	3.8
79.05469	17.3
81.07045	32.5
83.08603	3.6
85.10180	2.7
88.07613	12.3
91.05466	33.8
93.07027	100.0
94.07816	2.6
95.04948	6.8
95.08594	33.2
97.10149	1.5
102.09167	10.8
105.07020	44.8
106.07340	1.9
107.08581	39.2
109.06519	2.8
109.10145	22.6
117.06999	3.7
119.08566	34.4
121.06548	2.0
121.10131	84.6
123.11695	6.4
131.08583	6.2
133.10127	21.3
135.08011	2.7
135.11688	9.4
137.13312	1.7
145.10088	10.5
147.11617	11.7
149.09605	8.6
149.12057	2.6
149.13277	10.9
150.10426	1.7
157.10162	2.3
159.11647	8.4
160.12032	2.3
161.13284	2.8
175.14783	13.6
177.12740	9.1
192.17474	16.8
193.15823	2.9
195.12598	1.8
200.20064	26.2
201.16447	2.6
203.17978	9.5
210.75258	1.4
218.21014	2.5
219.17567	14.7
220.16931	9.5
222.14952	6.5
238.17883	3.3
254.17415	23.0
283.26297	30.6
333.43277	1.7
456.44052	34.5
459.34827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13316	1.2
52.52727	1.3
53.03945	5.5
54.12154	1.2
55.01853	2.4
55.05507	24.4
57.01295	1.1
57.03432	1.4
57.07069	28.6
59.04979	6.0
65.03933	3.3
67.05497	37.4
68.52314	1.1
69.03418	7.6
69.07053	20.6
71.04975	8.3
79.05475	32.6
81.03407	1.4
81.07040	100.0
82.07372	2.0
83.04968	9.4
83.08614	18.8
85.02891	1.8
85.06525	11.5
91.05459	43.4
93.07030	46.1
95.04978	14.0
95.08009	2.4
95.08592	59.7
96.08917	1.7
97.02881	9.2
97.06510	8.7
99.04421	2.0
103.05492	2.1
105.04485	1.5
105.07019	40.9
107.08582	50.3
109.06510	11.3
109.10144	47.9
111.04427	20.0
111.08060	8.0
113.02365	7.3
117.07008	2.8
119.06046	2.1
119.08558	28.2
121.06478	5.6
121.10122	15.7
123.04403	13.5
123.08041	25.1
123.11691	23.8
125.09606	6.3
129.06993	1.8
131.08534	7.6
133.09177	2.4
133.10110	41.5
135.08037	6.4
135.11676	10.2
137.05957	2.3
137.09593	13.8
137.13246	17.8
139.07535	8.9
139.11131	2.1
143.08502	3.3
144.09357	1.8
145.10115	8.2
147.08052	26.5
147.11702	12.2
149.09615	2.7
149.13297	1.5
151.07530	1.9
151.11159	26.0
153.09109	9.4
157.10112	6.5
159.11655	6.1
160.54283	1.4
161.09602	13.5
161.13190	1.5
165.09062	30.4
169.12184	7.9
175.11156	8.2
175.14774	2.7
177.12766	1.6
179.10674	2.7
183.10100	2.3
189.16383	13.2
193.12236	8.4
199.14874	1.5
203.17969	1.7
207.17410	2.4
217.15807	6.4
235.16919	20.9
253.17978	15.5
257.34537	1.5
288.35480	2.0
389.71869	1.3
403.28354	13.7
466.73840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19283	1.0
53.03941	6.7
55.01882	2.0
55.05504	21.4
57.07066	5.8
59.04990	2.9
65.03937	2.1
67.05504	23.6
69.03412	2.0
69.07060	52.9
71.04983	21.8
77.78062	1.2
79.05479	51.2
81.07042	47.8
83.04972	12.9
83.08607	7.4
84.05746	1.4
85.06537	24.6
91.05463	45.2
93.07030	92.9
95.04955	15.3
95.08589	19.3
97.06509	10.3
99.08131	1.2
99.91717	1.1
105.04449	1.4
105.07021	31.0
107.08591	100.0
108.09353	2.5
109.02342	1.2
109.06525	13.7
109.10144	8.4
111.08071	2.9
117.07014	5.2
119.08570	11.3
121.10137	33.6
123.08063	2.8
123.11652	2.8
125.09621	5.9
129.06972	1.4
131.08553	6.6
133.10092	9.2
135.11676	34.1
137.09599	2.8
139.11157	1.3
143.08562	1.5
145.10146	5.7
149.13254	43.7
151.11205	1.7
158.46114	1.4
159.11740	2.0
159.80380	1.3
161.13286	1.5
165.12756	2.2
182.68370	1.2
433.20840	1.2
457.96283	1.2
465.93286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.2
53.03927	6.4
54.60397	1.1
55.01858	5.7
55.05265	1.6
55.05502	26.6
56.96539	2.6
57.03421	2.5
57.07067	2.7
59.04980	5.2
65.03921	2.6
67.05495	35.7
69.03410	9.7
69.07050	24.2
71.04977	13.5
75.41837	1.1
79.05473	52.2
81.03404	2.0
81.07034	46.6
83.04963	15.2
83.08582	6.4
83.88309	1.5
84.05753	1.2
85.06528	17.1
86.88706	1.1
91.05457	71.8
93.07021	100.0
94.45447	1.1
95.04404	2.0
95.04950	39.4
95.08578	19.2
97.06513	10.1
97.10196	1.3
101.05924	1.5
103.05437	8.8
105.04518	2.8
105.07017	50.8
107.04912	2.1
107.07861	2.6
107.08574	59.3
109.06474	14.2
109.10141	15.0
111.08060	5.2
115.05405	1.8
116.06166	1.4
117.07005	20.8
119.08551	40.0
121.06452	6.0
121.10122	16.4
123.08028	2.4
123.11673	7.0
125.09611	2.8
128.06168	2.2
129.06992	8.5
130.07733	8.7
131.04890	6.0
131.08539	10.5
133.10089	17.7
135.08026	2.6
135.11670	33.6
137.09586	2.5
142.07797	1.9
143.08553	2.4
145.10136	14.9
147.08034	1.5
147.11642	5.1
149.09613	1.8
149.13185	6.7
151.11168	4.8
157.10095	1.9
159.11671	2.9
159.95747	1.1
163.11203	2.2
202.17406	1.2
241.03882	1.7
243.09015	3.0
273.49762	1.4
274.60617	1.3
276.98578	1.4
410.78897	1.5
433.15222	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	456.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
54.81929	1.2
55.01862	2.8
55.05502	27.9
56.00573	1.2
57.03412	3.2
57.07059	7.8
59.04989	3.3
62.45844	1.1
62.61886	1.1
65.03914	2.7
67.05494	48.9
69.03423	2.9
69.06714	2.3
69.07057	34.0
71.04979	11.5
77.03860	1.2
77.05721	1.2
79.05476	77.7
80.05833	1.6
81.03385	2.4
81.07039	74.2
83.04975	12.5
83.08591	19.0
85.06527	3.2
91.05458	73.0
93.07022	100.0
95.04952	27.9
95.08588	34.6
96.24932	1.5
96.46658	1.3
97.06507	13.4
98.99781	1.4
105.04504	2.5
105.07011	52.5
107.07862	3.1
107.08577	79.5
107.09299	3.0
108.05520	1.2
108.78214	1.2
109.06489	11.8
109.10143	20.9
111.08060	2.8
115.05395	2.1
117.06969	8.0
119.06029	1.7
119.08564	19.7
121.06453	2.8
121.10108	14.6
123.08051	7.5
123.11678	9.5
125.09612	7.1
129.06972	2.6
130.07716	2.2
131.08527	12.5
133.10094	22.4
135.08102	2.3
135.11676	40.4
137.09508	1.8
139.11130	2.7
143.08559	6.8
145.10100	9.6
147.11649	5.6
149.09575	2.3
149.13216	2.9
151.11122	7.8
151.79869	1.5
153.12749	2.6
159.11679	6.6
161.09523	1.9
162.15744	1.4
163.11078	1.8
167.10701	1.8
169.12277	3.0
177.12672	1.7
191.40015	1.4
201.16287	2.2
203.14355	1.6
203.99133	1.5
214.37036	1.6
219.17496	1.7
437.06946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01857	3.6
55.05496	4.0
57.03429	8.9
59.04984	1.1
61.02894	4.9
67.05476	1.5
68.08218	0.8
69.03420	10.3
69.07057	1.3
70.06554	1.0
70.34818	0.7
70.61744	0.7
71.04969	3.8
71.08609	5.5
73.02904	8.2
79.05470	4.4
81.03414	1.5
81.07039	30.3
83.08596	0.8
85.02894	33.2
85.06529	20.4
86.27878	0.8
87.04448	1.0
97.02869	12.6
99.04441	1.4
99.08075	14.1
109.02868	1.9
109.06507	44.5
109.10139	1.4
115.03902	3.8
123.04352	1.4
127.03902	6.7
127.07532	61.0
127.08473	2.1
133.04935	1.7
137.05943	1.9
145.04956	7.1
145.08582	100.0
163.03882	1.8
163.05992	1.6
167.07057	1.1
195.06314	0.9
216.73540	0.9
307.13794	7.7
310.68533	0.9
390.33273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02555	0.5
53.03938	5.7
54.81444	0.4
55.01861	1.2
55.03445	0.4
55.05522	0.7
57.03433	0.8
65.03927	1.1
65.27184	0.5
67.05486	4.8
69.03420	1.1
69.07056	0.9
77.03880	0.6
79.05478	6.0
81.07047	1.1
85.02891	2.1
91.05450	5.0
92.08698	1.0
93.03333	0.5
93.07024	1.2
94.04153	0.7
95.04945	60.1
95.08572	0.6
97.02873	0.7
98.97551	0.5
103.05455	4.8
105.04504	3.1
105.07011	27.3
107.04926	5.2
107.08646	0.7
108.02098	3.6
109.06521	3.4
111.04424	0.8
115.05456	1.0
117.06966	0.9
118.04154	4.6
119.04951	4.1
119.08634	0.6
121.06463	3.8
122.03621	2.2
122.07286	0.7
123.04404	50.7
123.08034	0.8
124.05219	0.6
127.07555	2.8
131.04945	2.7
133.06467	26.2
134.07289	2.4
135.04437	1.0
135.08008	4.1
137.05956	53.6
140.04657	15.3
147.04391	4.6
147.08049	0.6
147.87730	0.7
148.05205	1.0
150.05644	0.9
150.06754	11.2
151.03911	2.1
151.07552	3.1
153.05469	0.8
154.06285	0.6
155.07008	20.4
161.05930	0.7
161.33640	0.5
163.07509	2.8
165.09077	20.6
167.07010	8.6
177.05428	1.2
178.06276	2.2
179.07008	4.2
183.06491	35.0
193.08568	100.0
194.09328	9.8
195.10118	1.1
209.08104	2.2
211.09607	16.4
418.63260	0.6
456.22504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01873	10.3
55.05517	1.0
55.75153	0.5
56.96554	0.8
57.03434	19.7
59.05004	4.1
61.02918	14.6
66.75150	0.5
67.05484	1.1
69.03419	28.8
69.07063	1.2
71.01346	3.9
71.04991	3.7
72.04494	0.8
73.02905	33.3
79.05470	2.8
81.03400	6.3
81.07029	4.3
82.11974	0.5
83.04974	0.8
85.02897	100.0
87.04446	3.8
91.03942	3.8
91.05465	3.5
92.22009	0.5
92.63699	0.5
93.07034	5.9
95.04951	3.0
95.08591	2.8
97.02873	34.4
97.06480	0.7
99.04459	5.1
101.02418	0.8
103.03942	2.8
105.07014	5.3
107.08582	4.7
107.86377	0.5
108.34975	0.5
109.02864	7.8
109.06508	1.1
109.10174	1.9
111.08107	0.7
115.03916	11.9
117.06989	1.0
119.08582	3.4
121.06470	0.8
121.10131	1.1
123.11707	0.8
127.03906	19.3
129.07036	0.8
131.08563	2.3
133.04958	11.5
133.10138	2.8
135.08046	0.9
135.11713	0.9
137.09615	0.7
143.08594	0.7
145.04956	27.1
145.10136	2.5
145.54442	0.5
147.11716	1.1
149.09572	0.7
150.07632	2.1
155.08490	0.6
157.10077	0.7
159.11696	0.9
163.05991	10.7
175.11230	0.6
217.07123	0.6
223.05974	0.6
233.15437	0.7
241.07132	0.9
259.08145	2.5
307.21094	0.7
391.35828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22209	0.9
55.05505	8.5
57.07063	5.8
59.05007	1.8
67.05199	1.1
67.05491	12.4
69.03413	2.1
69.07062	17.1
75.07375	1.1
79.05498	11.2
81.07049	30.7
81.47778	1.1
81.50994	1.2
83.08588	5.9
91.05457	16.4
93.07031	45.4
95.04952	2.8
95.08592	38.8
97.06525	4.7
100.26447	1.2
103.96338	1.2
105.07020	54.8
107.04913	1.1
107.08588	100.0
109.06531	5.4
109.09607	1.1
109.10165	18.3
117.06986	5.1
119.08569	61.5
121.06499	1.8
121.10133	16.4
122.21738	1.2
123.08076	2.6
123.11684	9.6
124.84846	1.2
129.06879	1.2
130.96809	1.1
131.08551	10.6
133.09160	1.2
133.10117	33.7
135.08014	5.4
135.11682	29.2
137.09578	5.2
139.07475	2.8
143.08565	2.4
144.09357	1.2
145.10100	16.7
147.11684	21.0
149.13242	25.6
151.11102	1.8
151.14772	1.5
157.10088	2.5
159.11644	14.2
161.09665	2.2
161.13251	7.8
163.11133	2.0
173.13248	4.8
175.14796	47.2
177.12656	3.9
177.16415	2.1
189.16353	2.5
191.17902	5.7
193.15866	34.1
199.14868	1.5
201.16328	9.8
203.14230	1.5
203.17917	7.5
215.17879	1.9
217.15919	2.4
217.19434	6.5
219.17397	12.3
221.15388	6.5
235.16815	4.5
243.17570	1.7
247.16866	1.4
327.70999	1.2
419.48471	1.2
437.33948	5.5
455.34885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1473
Annotation	HZ52
Peak:m/z	Relative Intensity
50.65448	0.4
53.03938	0.3
55.01858	1.7
57.03423	2.7
61.02930	0.4
66.03559	0.4
67.05487	2.0
69.03418	3.7
71.01315	0.5
71.04984	6.2
73.02904	3.3
79.05457	0.6
81.03394	0.5
81.07040	2.4
82.07401	0.4
85.02889	8.7
85.06529	3.1
87.04446	0.6
93.07069	0.4
95.08587	0.5
97.02869	4.5
97.06496	0.4
99.08076	1.1
109.06509	0.8
109.10161	4.1
113.06020	0.6
115.03918	2.3
115.07451	0.4
123.04433	0.5
125.82394	0.4
127.03936	1.0
127.07531	3.9
127.11179	17.4
133.04999	0.9
138.37805	0.5
145.04941	0.8
145.08582	2.3
145.12242	3.7
293.10245	0.6
300.06598	0.4
317.08289	0.8
324.10403	4.6
456.14719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.03934	8.6
55.01867	3.0
55.05500	22.9
55.98524	2.3
57.03436	11.9
57.06815	2.8
57.07069	44.8
59.04980	9.9
62.06075	16.5
67.05492	43.3
69.03429	3.8
69.07056	29.6
71.04980	10.5
71.08612	28.4
73.83086	2.1
73.92658	2.5
77.32288	2.3
79.05478	53.9
80.40058	2.3
81.07038	68.8
83.04961	10.3
83.08600	15.2
85.06518	11.9
85.10170	14.7
91.05462	58.9
93.07030	99.8
95.04933	29.1
95.08574	40.7
97.02895	2.3
97.06499	11.0
98.98447	13.2
99.04430	3.9
105.07008	61.1
107.08585	77.9
109.06512	19.2
109.10151	31.6
111.08040	3.5
116.95392	2.5
117.07008	16.7
119.08558	34.4
121.06503	11.7
121.10107	24.9
123.08042	13.5
123.11698	11.6
125.09596	5.0
127.07545	2.4
129.07031	4.7
131.08545	21.4
133.10117	38.4
135.08043	10.3
135.11685	36.8
137.05989	5.1
137.09641	4.1
137.13179	2.8
138.79297	2.5
139.11127	2.9
141.73782	2.7
142.07732	3.6
143.08540	5.5
144.09331	5.4
145.10080	25.9
147.08017	2.3
147.11644	17.2
149.09607	10.5
151.11197	12.4
155.01064	4.1
157.10080	5.5
159.11676	30.1
163.11172	3.1
165.12714	2.5
171.11688	2.7
173.13155	4.2
177.12682	5.7
187.14780	3.2
201.16437	9.8
233.15269	3.4
239.23697	2.9
251.16501	3.2
282.27878	12.9
313.27316	100.0
393.23798	3.7
418.01721	2.6
436.28122	2.7
454.29474	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	454.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40384	1.2
53.73761	1.4
55.05509	2.4
57.07051	2.9
66.52742	1.4
67.05478	2.8
69.07064	7.5
71.08597	2.0
78.72293	1.4
79.05478	8.2
81.07047	9.7
83.04951	1.3
85.95851	1.6
89.05999	5.5
91.05462	8.6
92.08701	2.8
93.07030	14.6
95.08620	5.8
102.33190	1.5
105.07022	38.0
106.07323	1.9
107.04923	1.8
107.08607	12.5
108.65093	1.5
109.10149	8.0
115.05366	1.5
117.07021	8.0
119.04916	2.9
119.08569	17.1
120.08914	1.9
121.06477	17.5
121.10157	2.9
123.08043	2.0
131.08557	13.3
133.10107	19.4
135.08049	14.8
135.11688	1.9
142.07800	12.7
143.08575	2.4
143.77910	1.3
145.10109	100.0
146.07271	9.9
146.10495	2.3
147.08084	2.9
147.11682	3.7
149.09645	10.3
157.10124	23.6
159.08133	2.4
159.11674	14.8
161.09601	72.6
175.11157	40.4
177.12682	12.7
177.16335	1.9
192.15117	2.5
192.17461	3.4
201.16379	43.3
217.15903	14.3
222.14867	1.6
254.17509	9.9
280.33032	1.8
385.43295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30626	0.3
53.03927	2.0
55.01850	0.5
55.05492	2.4
57.03411	2.8
59.34975	0.4
60.77612	0.4
61.02919	4.8
65.03893	0.5
67.05495	0.7
69.03416	6.8
69.07030	2.3
69.95422	0.4
71.04965	1.1
73.02879	1.8
73.48430	0.4
73.95331	0.4
79.05499	0.6
80.52871	0.4
81.03391	3.1
81.07024	2.5
83.04967	0.5
83.08582	1.8
85.02894	23.6
91.03930	1.1
91.05466	23.0
95.04958	5.1
95.08578	0.8
97.02878	8.7
99.04424	0.8
100.11240	4.1
105.06978	0.9
107.08567	0.9
107.87875	0.5
109.02866	2.4
111.04435	0.9
119.04931	22.8
119.08597	0.5
121.06484	3.4
121.10126	0.5
127.03940	4.0
136.05153	3.3
137.05980	4.2
145.04950	3.0
151.07527	100.0
180.08540	0.7
182.15396	2.9
209.16479	0.5
210.14821	1.9
240.66151	0.5
265.11819	1.0
275.12744	14.7
346.15405	0.5
347.98642	0.5
436.31241	0.6
454.19708	0.6
454.32675	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	453.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37121	0.5
53.03942	0.6
55.01867	5.6
56.96550	0.9
57.03432	7.6
57.36766	0.5
59.04995	0.6
60.04517	4.8
61.02911	6.5
64.33357	0.6
64.56522	0.5
67.05499	0.9
68.99761	0.9
69.03420	13.5
69.07056	23.4
71.01334	1.4
71.04971	1.1
71.08617	16.8
73.02900	11.8
75.99744	0.6
79.05460	0.7
81.03388	4.5
81.07049	0.8
83.04977	0.9
84.04510	1.9
85.02892	50.6
86.02393	4.1
87.04446	1.2
91.05450	1.1
92.09249	0.7
93.07010	0.7
95.04939	2.6
95.08590	0.8
96.08102	2.7
97.02877	27.4
97.06535	4.5
99.04420	2.4
103.03916	3.3
105.07024	0.8
107.04939	3.0
107.08595	1.2
109.02848	7.0
109.15770	0.6
111.04418	3.1
114.09153	19.6
115.03898	3.4
119.04943	4.7
119.08583	0.6
121.06490	0.7
121.10107	0.6
123.04411	43.4
127.03902	9.8
131.08449	0.6
132.06570	0.7
133.04964	0.8
135.04370	1.4
137.05954	2.8
138.09116	2.6
139.03888	100.0
142.08621	85.8
144.08012	0.7
145.04926	6.2
145.10118	0.8
147.04385	13.4
150.07477	0.7
151.03914	2.5
151.11093	1.3
153.01822	0.7
156.10197	2.4
161.05966	2.3
161.13249	0.7
163.03839	2.6
163.07471	0.7
165.05446	6.8
169.04924	0.7
180.10168	0.9
181.04970	0.7
182.08981	0.8
184.09662	52.7
189.05527	0.7
201.16409	0.9
207.06519	2.7
208.09668	12.1
219.17310	1.2
233.01669	0.6
237.18335	1.0
238.10719	1.0
242.08078	0.6
250.10638	6.8
250.27492	0.7
256.19708	0.6
268.11646	0.7
273.02679	0.9
273.07498	3.4
286.12839	3.1
291.08527	8.0
304.13885	45.5
343.10541	0.7
435.12619	0.8
453.13992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.5
54.81709	1.0
55.01861	5.1
55.05508	9.8
57.03429	5.5
57.07063	2.8
59.05038	1.0
61.02914	2.6
61.80704	1.1
65.03917	1.5
67.05499	16.3
67.85526	1.0
69.03418	9.5
69.07064	12.5
71.04974	24.2
71.05331	1.9
73.02895	1.2
79.05480	15.8
81.03382	2.0
81.07040	31.0
83.04971	6.8
83.08601	8.0
85.02896	22.1
85.06519	5.1
86.09671	1.4
87.04493	1.3
90.60458	1.1
91.05470	10.5
93.07021	36.5
93.07574	2.2
95.04957	5.1
95.08593	31.4
97.02862	4.8
97.06512	9.5
97.10149	2.7
99.04446	1.6
99.08079	3.0
105.07015	28.5
107.04942	4.9
107.08575	50.9
109.06493	7.9
109.10137	30.2
111.04405	1.7
111.08046	11.1
117.07020	7.2
119.08560	26.9
121.02880	1.3
121.06478	6.3
121.10121	22.6
123.08051	6.8
123.11700	6.8
125.09617	20.4
127.03928	2.1
127.11185	6.4
129.09084	1.4
131.08568	11.3
133.10104	22.6
135.08047	6.1
135.11659	15.9
137.05971	2.1
137.09589	8.2
139.11163	7.8
143.10663	10.6
145.10132	23.7
147.08075	1.6
147.11668	16.8
149.09654	5.1
149.13249	6.2
151.11168	100.0
157.10164	2.0
159.08017	1.5
159.11682	17.4
161.13289	9.1
163.11163	6.4
163.14847	4.7
165.12766	2.4
165.52893	1.3
173.13260	4.8
175.14795	2.4
177.12773	4.7
177.16426	1.4
179.03452	1.4
191.14369	5.4
191.17912	10.3
193.12338	1.6
201.16341	24.5
201.77873	1.2
219.13879	4.9
219.17418	57.1
237.14706	6.1
237.18449	91.7
255.15924	6.1
255.19511	11.2
273.16885	2.0
431.80399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1393
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01857	1.8
55.05500	1.7
56.96558	3.4
57.03410	1.9
61.02902	1.9
65.03916	0.6
65.49266	0.5
67.05473	2.1
68.99776	2.5
69.03416	5.8
71.04960	0.4
75.09962	0.5
75.93799	0.4
78.42812	0.5
80.62178	0.4
81.03390	2.4
81.07048	0.5
83.04962	0.7
83.08585	0.6
85.02889	16.3
85.45449	0.4
87.04476	0.6
91.05458	2.2
93.03375	0.6
93.07023	0.5
95.04938	3.1
95.08595	1.0
97.02868	5.6
98.97582	0.8
99.04438	0.9
100.10594	0.7
100.11233	14.6
105.07006	1.1
107.04933	1.9
107.08591	0.5
109.02863	0.8
109.10128	0.5
109.65174	0.7
111.04427	2.7
116.98617	0.9
117.07075	0.5
119.04913	4.7
123.04404	52.7
123.33319	0.4
127.03883	3.0
131.04910	0.8
135.04384	2.6
136.29367	0.5
137.05968	1.0
139.03883	100.0
143.04933	0.7
145.04964	1.1
145.10155	0.7
146.99574	0.5
147.04376	17.8
151.03934	4.2
159.03333	0.6
161.01173	0.8
161.05913	3.3
163.03905	5.7
165.05432	8.3
169.04947	0.6
177.05507	0.9
179.06999	0.9
181.04901	2.1
187.02710	0.5
189.05444	0.8
205.05017	1.0
207.06490	3.3
209.01202	0.8
209.16478	2.4
211.02739	0.7
213.00703	0.5
221.03371	0.6
227.17470	9.0
235.05727	0.6
237.00676	2.0
247.06076	0.5
249.15656	3.2
255.01744	3.5
265.07230	0.6
273.02771	5.8
273.07568	2.9
283.08313	0.7
291.05542	0.8
291.08560	13.7
294.96051	0.5
301.09094	0.9
304.63617	0.5
411.05582	0.8
429.07437	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	451.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94027	2.9
54.81323	2.9
55.01869	4.7
55.05503	4.2
57.07070	13.5
64.93895	3.3
69.07028	5.6
71.04979	3.5
71.08610	7.8
81.07025	5.4
83.08615	3.1
93.07025	5.7
95.08577	7.1
97.59091	3.6
103.50190	3.4
105.07008	7.2
107.08543	6.3
109.27136	3.5
109.62510	3.3
117.07083	3.6
125.02325	100.0
131.08540	5.0
139.03888	17.8
140.77136	3.1
145.10097	16.1
149.02318	4.4
153.05428	4.3
167.03372	15.2
185.04434	50.6
195.10191	3.3
201.16396	3.9
300.39655	3.4
311.18475	3.6
451.33975	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	452.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.3
55.01860	2.9
57.03431	38.6
59.04986	8.7
60.04512	1.9
61.02915	2.5
69.03416	100.0
70.27400	1.3
73.02908	4.8
75.04464	5.1
77.33576	1.0
81.03384	2.9
85.02890	72.1
87.04448	66.5
97.02867	65.3
98.97549	6.0
99.04447	2.1
103.03912	1.3
109.02863	43.3
115.03910	59.4
123.04433	2.9
127.03902	7.2
127.75213	1.1
128.98528	1.2
131.04910	2.1
133.02834	22.5
133.04944	63.1
137.05957	14.0
139.03848	1.1
141.05435	27.1
143.00215	1.2
145.04967	2.8
147.04436	2.5
150.07599	9.5
151.03894	2.4
153.05467	2.7
159.04401	2.9
165.05450	23.5
175.03864	1.6
177.05405	12.3
189.05511	1.8
196.62860	1.2
207.06541	2.5
219.01761	1.3
219.06450	10.8
237.02698	2.2
237.07611	14.4
259.07965	1.9
267.08624	4.7
279.07544	5.1
342.69666	1.5
350.12289	2.7
381.35013	1.3
393.10849	2.2
411.12006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01861	10.8
55.05499	16.0
57.03416	12.0
60.16485	2.3
63.42170	2.2
64.32990	2.0
65.03906	2.3
67.05495	24.7
69.03425	16.9
69.07052	26.6
69.98686	2.2
70.06583	3.6
71.04982	56.6
71.05368	3.1
73.02885	4.1
73.06541	2.3
79.05472	35.8
81.03381	4.7
81.07042	80.6
83.04968	23.4
83.08598	10.3
85.02898	52.4
85.06522	15.2
86.79066	2.8
91.05465	26.0
93.07028	86.8
95.04949	53.9
95.08596	42.1
96.05313	3.9
97.02863	10.6
97.06519	47.7
99.04469	18.3
99.08063	2.5
101.05996	3.8
105.07017	63.0
106.07346	2.9
107.04940	10.4
107.08583	51.2
109.02853	2.6
109.06508	45.5
109.10166	22.5
111.08089	33.5
113.05957	3.3
117.06997	9.0
119.04885	2.3
119.08576	41.1
121.06487	100.0
121.10118	27.9
123.04418	22.6
123.08048	13.8
123.11678	13.4
125.06000	17.2
125.09639	3.3
127.03786	2.2
127.07545	18.7
129.05417	2.6
129.06973	4.3
131.08551	15.4
133.06464	4.2
133.10106	35.1
135.04393	10.3
135.08015	19.5
135.11697	2.9
137.06004	19.0
137.09618	9.1
139.07541	27.7
139.11156	12.6
142.07764	3.4
143.06982	9.3
143.08577	11.5
145.10130	15.9
147.08061	4.9
147.11673	78.8
149.02342	26.6
149.09578	11.0
149.13220	3.4
151.03918	4.5
151.07458	4.9
151.11154	9.7
153.01816	33.5
157.08720	4.0
157.10110	31.6
159.11664	2.2
161.07130	3.9
161.09651	3.4
161.13240	14.9
163.03853	3.5
163.07544	2.5
163.11160	2.3
165.12738	24.7
166.07738	2.9
167.10643	12.3
169.12230	9.5
171.11659	29.1
175.11165	40.3
185.11731	5.4
189.12743	27.7
189.16350	2.9
191.08041	3.3
193.12204	32.6
195.02809	9.1
199.11194	32.9
207.13821	9.2
211.13269	23.6
217.12198	65.5
217.15770	4.3
218.15994	2.7
225.14886	2.4
229.14413	3.0
231.06503	15.7
235.13261	79.2
235.16925	12.2
236.17184	3.1
253.14293	74.9
253.18048	4.3
259.05875	16.3
271.15344	13.0
287.05444	5.3
289.06686	2.8
289.16525	3.1
305.06375	22.9
325.18704	2.3
437.90298	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16750	0.3
53.03944	0.7
55.01859	2.3
55.05511	4.1
57.07067	1.0
59.04998	0.6
62.06876	0.4
67.05501	6.6
68.59296	0.5
69.03417	2.5
69.07053	4.0
71.04992	1.6
72.66662	0.4
78.08964	0.4
79.05477	7.8
80.05793	0.4
81.03381	0.6
81.07042	16.9
82.07372	0.8
83.04967	4.8
83.08618	0.8
84.72843	0.5
85.06512	0.6
91.05466	10.4
93.07038	9.8
93.31753	0.4
94.07377	0.7
95.04961	5.2
95.08590	9.2
97.06533	1.7
97.10158	1.0
99.04427	0.5
103.05453	44.4
105.04473	0.6
105.06369	0.8
105.07020	14.3
106.07336	0.8
107.04949	0.8
107.08582	13.3
108.08864	0.5
109.06499	3.0
109.10169	5.1
111.04446	1.1
111.08053	0.9
113.09597	0.6
117.07011	5.5
119.08556	8.2
121.06497	1.9
121.09357	0.5
121.10117	3.9
123.08084	0.9
123.11724	1.9
125.09621	5.2
128.06247	0.6
129.06970	2.9
131.04912	100.0
131.08554	6.4
133.06490	0.5
133.10121	8.2
135.08066	1.0
135.11662	2.9
137.09583	0.6
141.06995	0.7
142.07808	0.8
143.08556	6.8
145.10123	7.9
146.07225	0.6
146.10478	0.8
147.08072	0.6
147.11639	2.5
149.09593	1.9
149.13246	0.6
151.11264	1.3
155.08534	3.4
156.09360	0.4
157.10147	5.6
159.08047	0.5
159.11655	3.2
161.09586	4.6
161.13239	2.0
162.09869	0.6
163.11208	0.7
167.08702	0.5
169.10124	0.8
171.11682	2.5
173.13208	2.4
175.11147	0.9
175.14815	1.9
179.08678	0.5
179.10667	2.3
180.65225	0.4
183.11679	1.6
185.13315	1.1
187.14822	0.5
197.13211	1.1
199.14798	5.2
201.16368	2.5
203.14220	0.5
209.13358	0.8
211.14882	0.8
213.16301	0.8
215.14284	1.0
217.15904	0.9
225.16411	0.9
229.15895	0.6
239.17848	0.7
257.18945	3.1
267.20932	1.9
285.22131	4.7
303.23148	2.8
433.26984	4.6
451.31982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16750	0.3
53.03944	0.7
55.01859	2.3
55.05511	4.1
57.07067	1.0
59.04998	0.6
62.06876	0.4
67.05501	6.6
68.59296	0.5
69.03417	2.5
69.07053	4.0
71.04992	1.6
72.66662	0.4
78.08964	0.4
79.05477	7.8
80.05793	0.4
81.03381	0.6
81.07042	16.9
82.07372	0.8
83.04967	4.8
83.08618	0.8
84.72843	0.5
85.06512	0.6
91.05466	10.4
93.07038	9.8
93.31753	0.4
94.07377	0.7
95.04961	5.2
95.08590	9.2
97.06533	1.7
97.10158	1.0
99.04427	0.5
103.05453	44.4
105.04473	0.6
105.06369	0.8
105.07020	14.3
106.07336	0.8
107.04949	0.8
107.08582	13.3
108.08864	0.5
109.06499	3.0
109.10169	5.1
111.04446	1.1
111.08053	0.9
113.09597	0.6
117.07011	5.5
119.08556	8.2
121.06497	1.9
121.09357	0.5
121.10117	3.9
123.08084	0.9
123.11724	1.9
125.09621	5.2
128.06247	0.6
129.06970	2.9
131.04912	100.0
131.08554	6.4
133.06490	0.5
133.10121	8.2
135.08066	1.0
135.11662	2.9
137.09583	0.6
141.06995	0.7
142.07808	0.8
143.08556	6.8
145.10123	7.9
146.07225	0.6
146.10478	0.8
147.08072	0.6
147.11639	2.5
149.09593	1.9
149.13246	0.6
151.11264	1.3
155.08534	3.4
156.09360	0.4
157.10147	5.6
159.08047	0.5
159.11655	3.2
161.09586	4.6
161.13239	2.0
162.09869	0.6
163.11208	0.7
167.08702	0.5
169.10124	0.8
171.11682	2.5
173.13208	2.4
175.11147	0.9
175.14815	1.9
179.08678	0.5
179.10667	2.3
180.65225	0.4
183.11679	1.6
185.13315	1.1
187.14822	0.5
197.13211	1.1
199.14798	5.2
201.16368	2.5
203.14220	0.5
209.13358	0.8
211.14882	0.8
213.16301	0.8
215.14284	1.0
217.15904	0.9
225.16411	0.9
229.15895	0.6
239.17848	0.7
257.18945	3.1
267.20932	1.9
285.22131	4.7
303.23148	2.8
433.26984	4.6
451.31982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01863	10.1
55.05504	16.0
57.03428	11.3
67.05492	21.9
69.03413	14.1
69.07054	26.7
70.06581	9.5
71.04975	55.5
73.02910	7.3
75.04469	9.1
79.05473	29.3
81.03408	2.2
81.07039	81.4
83.04967	25.4
83.08610	7.9
85.02890	36.9
85.06537	10.4
86.09692	6.4
86.11556	1.6
87.04446	1.9
91.05453	23.6
93.07022	80.6
95.04951	26.2
95.08591	56.2
95.09190	2.2
97.06509	42.3
98.97611	1.6
99.04433	29.1
99.08084	3.4
101.06013	2.4
105.07015	52.4
106.07352	1.7
107.04968	6.8
107.08573	42.7
109.06501	41.6
109.10120	13.4
111.04376	2.7
111.08061	26.8
111.11686	1.7
113.05989	7.4
117.07008	3.9
119.04890	1.9
119.08552	36.1
119.34611	1.6
121.06481	100.0
121.10118	17.1
123.04427	11.4
123.08060	11.0
123.11703	14.9
125.05981	21.4
125.09616	3.2
127.07539	18.5
129.05455	7.4
129.06990	5.9
131.08568	10.4
131.40756	1.7
133.06480	6.5
133.10129	31.6
134.10387	2.1
135.04413	7.0
135.08037	14.6
135.11716	3.4
137.05957	9.7
137.09612	3.0
139.07513	25.4
141.05431	2.2
142.07759	2.4
143.07021	10.7
143.08546	10.1
145.10104	15.8
146.10577	1.9
147.08008	7.8
147.11674	64.9
149.02328	7.7
149.09572	2.7
149.13228	3.9
151.07442	1.8
151.11183	10.7
153.01828	11.4
153.09056	2.3
156.09335	2.0
157.08614	9.5
157.10107	18.2
159.06476	8.1
159.11703	1.9
161.05937	6.1
161.13228	17.8
163.11078	2.3
165.12704	20.1
166.07747	2.9
169.12195	24.4
171.11641	22.1
175.11174	38.2
179.10812	1.7
181.10130	3.1
184.08797	2.1
189.12695	26.6
189.16389	7.9
190.16811	2.8
193.12196	33.0
199.11143	34.4
207.13745	13.2
211.13225	27.0
215.06984	2.0
217.12222	75.4
217.15703	3.7
224.09860	1.6
229.14349	10.4
231.06316	5.5
235.13260	80.6
235.16992	9.9
236.17262	2.8
253.14285	69.3
253.18176	3.3
259.05942	3.0
259.09674	1.8
259.55539	1.5
271.15369	12.8
287.05453	3.0
289.16409	6.2
305.06522	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	451.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29822	0.8
53.03922	1.3
55.01865	7.8
57.03422	13.9
61.02909	10.6
67.05479	4.0
69.03403	16.8
71.01325	2.1
73.02895	26.8
76.55796	1.0
79.05454	3.8
81.03391	9.1
81.07024	4.0
85.02885	90.4
87.04458	1.8
95.04921	1.8
97.02862	42.9
97.06488	1.3
99.04419	1.9
103.03907	5.5
104.32407	1.0
108.08080	12.2
109.02859	13.4
110.06030	1.4
115.03902	5.1
120.43878	1.1
122.05995	6.1
125.05955	6.6
126.05486	8.3
126.09124	4.6
127.03886	14.9
133.04948	4.5
136.07533	20.4
140.07034	61.0
145.04930	16.7
150.07642	1.5
150.09082	5.6
152.07037	22.6
154.08606	6.3
157.48392	1.0
161.09451	1.2
163.05980	15.6
164.07030	28.7
176.14706	1.0
178.08572	22.6
178.63855	1.0
182.08080	100.0
206.08101	52.5
218.08061	4.3
236.09126	5.4
248.09134	8.6
266.10229	2.5
284.11133	7.0
302.12262	19.7
391.41422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
53.03927	1.7
55.01855	2.9
56.36360	0.7
57.03431	24.1
57.21854	0.6
61.02911	9.5
67.05497	5.4
69.03065	1.4
69.03414	24.1
69.03764	1.4
71.01344	1.3
71.04980	1.5
73.02483	1.5
73.02898	31.6
74.95944	0.9
79.05474	1.9
81.02995	0.8
81.03403	7.2
81.07030	5.1
83.04952	0.7
84.50431	0.8
85.02890	88.2
87.04446	5.1
91.05465	4.3
93.05733	1.0
93.07030	1.8
95.04932	6.1
95.08597	1.2
97.02869	37.5
97.06522	1.2
99.04437	3.1
103.03906	4.0
105.07010	0.9
107.04949	0.9
107.08606	1.2
108.08102	8.7
109.02869	11.8
109.06501	3.1
109.10217	0.8
110.06023	1.1
112.07556	0.8
114.36933	0.8
115.03910	6.0
119.04917	1.3
119.08521	1.7
121.06500	11.3
122.06001	8.1
122.06828	4.4
125.05992	7.7
125.09630	1.1
126.05492	7.5
126.09121	3.5
127.03895	17.2
131.08560	1.5
133.04938	4.2
133.06531	0.9
136.07561	16.0
137.05905	0.9
139.07547	1.0
140.07039	55.1
140.36687	0.9
145.04936	19.1
145.10086	0.9
147.04381	5.7
150.07570	1.0
150.09131	3.6
152.07065	16.4
154.08617	6.8
163.05952	10.7
164.05721	1.1
164.07042	24.9
173.72041	1.0
178.08591	19.9
182.08092	100.0
183.21724	0.9
206.08096	45.9
218.08130	4.7
236.09164	3.4
240.20470	0.9
248.09117	7.6
266.10208	3.2
271.14471	0.9
284.11224	7.1
302.12280	25.7
451.20145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1232
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03941	1.5
55.01853	1.5
55.05494	1.5
55.34313	0.5
57.03422	4.5
59.04985	0.9
61.02915	4.8
64.33198	0.7
65.03897	0.9
67.01857	0.6
67.05486	1.2
68.99781	3.8
69.03418	9.1
69.07052	2.8
71.04983	5.0
71.25354	0.7
73.02898	1.6
79.05461	3.3
80.59523	0.6
81.03402	3.1
81.07031	4.4
83.04970	1.0
85.02894	22.5
85.06529	1.0
86.09673	0.7
87.04470	0.8
91.05465	3.8
93.07031	5.6
95.04951	3.4
95.08577	3.5
97.02871	8.5
97.06477	1.4
98.97542	0.7
105.07001	4.2
107.04937	64.7
107.08587	4.8
109.02883	1.1
109.06526	0.7
109.10146	2.7
111.04423	3.2
111.08055	0.6
117.06991	0.8
119.04934	4.0
119.08553	4.9
121.02834	11.7
121.06490	1.1
121.10131	1.5
123.08068	1.3
127.03884	3.1
131.04866	1.5
131.08524	1.5
133.10077	3.0
135.04417	5.1
135.11699	1.1
137.09601	1.1
139.03871	4.4
139.07628	0.6
141.07005	1.1
143.08517	0.7
145.04956	1.1
145.10129	2.8
147.04375	1.2
147.07996	1.0
147.11708	2.5
149.02319	85.7
149.06995	0.7
153.01805	100.0
157.10124	1.3
161.07086	6.0
161.09549	1.4
161.13226	1.3
163.03905	0.8
163.11084	0.8
166.68004	0.7
167.03365	9.5
168.64172	0.8
169.06439	6.1
173.05962	1.1
177.12753	1.5
187.07478	0.7
188.73445	0.7
189.16391	1.1
195.02783	7.6
197.05951	6.7
199.14851	1.0
201.05417	1.0
215.06996	82.4
217.15956	2.3
235.16914	4.1
236.17207	0.9
242.05702	3.2
243.06461	43.6
253.17931	2.7
271.05954	22.4
271.19037	0.9
289.06992	51.8
307.14911	0.7
457.99170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
54.82192	2.9
54.92895	2.4
55.01883	3.2
55.05510	22.5
57.07062	4.0
59.04985	2.8
67.05201	2.3
67.05502	31.7
69.03397	12.6
69.07044	20.2
71.04960	17.8
79.01565	2.5
79.05488	37.7
81.07040	69.1
81.09943	2.8
83.04959	11.9
83.08614	3.8
85.02917	4.5
85.06514	4.6
88.86175	2.9
91.05460	58.3
92.09323	3.7
93.07027	100.0
94.07343	3.6
95.04948	27.3
95.08566	34.5
97.06497	6.6
99.04434	6.3
105.06363	5.2
105.07013	93.0
106.07806	3.9
107.08578	59.2
109.06517	24.9
109.10136	20.1
111.04430	2.9
111.08068	5.5
117.06981	14.2
117.91290	3.2
119.08572	62.7
121.06472	14.5
121.10107	36.1
123.08003	20.9
123.11680	7.1
124.08909	3.2
128.06197	4.9
131.08554	13.9
133.06502	3.1
133.10086	30.7
135.08034	18.8
135.11678	27.0
137.05952	24.3
137.09590	5.0
139.07544	28.1
143.08553	5.4
145.10121	38.7
146.10455	5.2
147.11671	23.5
149.09612	16.1
149.13203	4.6
151.11211	3.2
152.08261	4.9
153.09032	4.5
157.10146	3.1
158.29593	3.0
159.11641	13.1
161.09573	15.9
161.13203	5.8
163.11166	5.0
165.12767	5.4
175.11115	2.9
179.10637	5.4
181.12167	27.3
195.13760	17.2
197.11642	3.1
201.16301	5.8
203.17990	5.6
207.13763	5.8
219.17477	4.9
225.31673	3.6
399.35043	3.0
415.32153	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	451.1231
Annotation	3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
53.03930	1.0
55.01844	0.7
55.05506	3.2
56.69380	0.5
57.03428	19.3
59.04988	1.1
59.56223	0.7
61.02908	1.3
67.05492	4.1
68.99781	0.9
69.03414	6.9
69.07060	1.4
71.01338	0.9
71.04976	100.0
73.02892	2.7
74.09339	0.6
74.32549	0.6
75.04460	1.6
79.05469	2.8
80.57996	0.6
81.07040	4.5
83.04968	3.4
85.02889	89.6
87.04438	0.8
91.05473	3.9
93.07018	6.0
95.04964	4.8
95.08592	3.1
97.02899	1.7
97.06542	0.9
105.07013	5.8
107.04955	1.4
107.08578	5.7
109.02853	0.7
109.06508	1.2
109.10154	4.1
111.04435	4.0
117.07000	1.1
117.79031	0.7
119.08539	7.2
121.02882	1.4
121.06483	1.3
121.10151	2.9
123.04400	20.2
125.09587	1.1
127.03928	1.0
127.11095	0.7
129.05449	14.3
129.06958	0.8
131.08571	1.4
133.02849	1.1
133.10117	2.8
135.04414	3.1
135.08003	1.5
135.11659	1.5
137.09554	0.8
139.03899	1.1
143.08495	0.9
145.10149	1.5
147.06519	3.4
147.11667	1.0
149.02318	17.1
151.03908	1.0
153.01808	22.1
157.10106	1.0
159.11691	3.4
161.06020	0.9
161.09592	0.8
161.13216	1.4
163.03877	2.9
163.11176	1.5
165.01765	5.1
167.03349	2.6
169.06409	0.7
173.02437	1.0
175.11185	0.9
177.12706	1.0
179.03413	1.2
181.02834	0.7
181.12144	1.0
183.02861	2.7
185.06017	0.8
189.16306	0.8
191.03360	1.1
195.02901	6.3
199.14754	0.8
203.03378	1.2
211.16293	0.7
213.05521	3.5
215.07057	4.4
217.15886	3.0
219.02914	1.6
231.06554	9.7
235.16844	5.0
239.83148	0.6
243.06392	5.0
245.04408	1.5
253.17995	2.7
259.05917	8.3
263.05304	2.3
271.05957	3.6
283.05853	0.7
287.05353	5.6
289.07291	1.0
297.07367	0.9
301.06995	1.1
305.06516	18.3
329.06409	1.0
371.07507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99800	0.7
53.03938	0.9
54.49899	0.6
55.01859	1.7
55.05499	6.4
57.03416	3.5
57.07074	1.1
59.04984	0.9
61.02909	1.0
65.82444	0.6
66.19376	0.7
67.05489	9.7
69.03416	6.4
69.07054	13.2
71.04972	5.7
79.05477	12.7
79.05904	1.3
81.03409	1.4
81.07044	38.2
83.04963	6.9
83.08599	4.5
85.02888	16.3
85.06532	6.0
87.04436	1.1
91.05457	11.1
92.08592	1.6
93.07030	32.8
93.37483	0.9
95.04955	6.9
95.08589	17.8
95.51284	0.9
97.02868	2.1
97.06523	11.7
99.04425	6.8
105.07017	38.7
107.07861	1.6
107.08575	35.0
109.06511	19.7
109.10139	12.3
111.08060	5.1
113.05968	0.9
117.07007	1.8
119.05012	1.2
119.08557	24.4
121.06486	19.3
121.10120	21.6
123.08051	14.0
123.11689	28.7
125.05971	3.6
127.03996	0.9
127.07527	11.0
131.08546	6.4
133.06477	1.4
133.10126	7.9
135.08022	8.0
135.11673	4.1
137.05925	4.0
137.09578	5.5
137.13232	1.2
139.07523	7.9
142.07732	0.8
143.07066	0.8
143.08560	3.2
145.04933	1.2
145.10115	6.6
147.07983	1.3
147.11673	100.0
149.09605	1.5
149.13228	5.7
156.09329	1.3
157.08644	3.2
157.10104	6.7
159.07945	1.3
161.09573	1.4
161.13257	6.1
163.11122	1.4
165.12724	92.7
171.11693	8.5
173.09637	1.4
173.13226	1.3
175.11136	9.7
177.12601	1.2
183.13751	12.1
184.08827	0.9
187.11125	1.1
189.12721	11.1
189.16359	4.2
191.14282	4.5
193.12177	12.5
199.11223	6.7
207.13753	6.1
209.15317	6.1
217.12265	14.4
217.15811	1.5
229.14331	30.7
235.13232	18.6
235.16951	4.6
253.14294	74.6
253.18150	2.7
271.15378	4.6
303.04730	1.1
304.05350	4.1
334.87524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01862	10.1
55.05499	13.2
59.04960	2.0
66.19318	1.7
67.05494	18.5
69.03417	11.3
69.07058	22.4
69.84259	2.1
71.04977	19.8
71.27031	1.8
79.05481	38.2
81.03389	4.4
81.07037	80.4
83.04955	23.7
83.08590	4.1
85.02885	19.8
85.06523	14.4
87.33922	2.9
91.05448	26.3
93.06428	3.2
93.07019	92.8
93.51370	2.4
95.04945	30.5
95.08597	45.8
97.06506	36.1
99.04442	26.0
101.06002	3.1
105.07012	62.5
107.04933	9.5
107.08578	56.9
109.06510	46.2
109.10146	12.9
110.80563	2.1
111.08047	8.6
113.05999	4.0
117.06981	5.2
119.04946	5.2
119.08547	44.7
121.06483	93.1
121.10103	18.3
123.04409	2.3
123.08044	12.3
123.11693	10.7
125.06000	20.9
125.09592	4.1
126.06308	2.7
127.07517	19.6
128.06174	2.2
129.06992	10.3
130.83435	2.0
131.08537	12.6
133.06526	3.2
133.10106	25.4
135.04420	5.2
135.08037	20.6
135.11665	4.1
137.05946	3.9
137.09612	3.5
137.13235	2.8
137.40915	2.4
139.07487	38.7
142.07791	4.5
143.07010	9.2
143.08556	17.1
145.10124	21.9
147.08038	8.1
147.11679	93.8
149.13231	3.9
151.07513	4.1
151.11072	3.1
155.08537	3.1
156.09364	4.9
157.08742	6.2
157.10110	31.1
159.11670	10.5
161.09587	5.3
161.13197	18.1
165.12718	33.8
166.07797	3.0
171.11667	34.0
173.09587	10.6
175.11150	42.2
175.14760	3.5
177.12770	26.4
181.04936	3.9
181.10138	3.9
187.11095	2.7
189.12749	39.5
191.14311	2.9
193.12201	28.8
199.11133	28.0
205.12065	2.5
207.13747	14.2
209.15308	11.6
211.13275	4.2
215.10730	4.1
216.11043	2.9
217.12234	81.3
217.15649	2.6
229.14206	3.1
235.13255	100.0
235.16792	22.4
252.12936	3.2
253.14297	83.2
253.17953	11.6
271.15372	2.4
286.69608	2.2
450.14697	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	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
54.81643	1.7
55.01867	7.7
55.05507	14.5
56.96553	2.1
57.03436	3.6
57.07060	1.9
58.05792	1.5
59.04998	2.2
61.02919	10.7
67.05493	21.8
69.03418	19.8
69.07050	16.7
71.04977	19.6
79.05475	35.5
81.03410	6.3
81.07038	69.3
83.04964	24.9
83.08636	3.4
85.02887	44.2
85.06543	17.8
91.05470	26.9
93.07023	100.0
95.04947	22.4
95.08587	48.6
97.02879	14.5
97.06510	29.5
98.97573	1.8
99.04427	21.1
101.06037	2.4
105.07011	53.7
107.04948	7.8
107.08578	57.1
109.02892	2.5
109.06497	35.9
109.10136	18.2
111.08065	10.3
113.06023	3.2
117.07002	6.5
119.04898	2.2
119.08573	49.9
121.06485	66.5
121.10112	20.1
123.04433	2.4
123.08051	10.5
123.11678	9.4
125.05965	7.5
125.09580	3.2
127.03902	8.1
127.07529	16.1
127.15443	1.6
129.06964	3.3
131.08549	12.0
133.06503	3.3
133.10120	27.7
135.04404	5.7
135.08051	25.3
135.11676	8.3
137.05965	6.7
137.09587	2.8
139.07523	20.6
139.11145	7.3
142.07805	6.9
143.07083	2.5
143.08537	12.1
145.04909	1.9
145.10118	21.4
147.08022	10.2
147.11674	71.5
149.09622	3.6
149.13258	3.2
151.07576	1.7
151.11165	2.3
153.09088	3.1
156.09398	2.8
157.08649	6.7
157.10118	28.4
159.08046	2.6
159.11690	3.5
161.09645	3.7
161.13254	18.0
163.11111	6.2
165.12723	31.7
170.07298	1.7
171.10269	2.3
171.11638	24.0
173.09648	2.5
173.13219	6.3
175.11147	32.8
181.10126	6.2
184.08763	1.8
189.12729	26.0
189.16339	13.8
191.14265	2.0
193.12233	22.8
199.11131	27.2
199.14755	2.5
207.13768	15.1
207.17561	1.9
209.15340	6.9
211.13272	3.8
217.12206	63.9
217.15674	3.5
226.01451	1.9
229.14372	2.9
235.13258	87.6
235.16814	20.6
253.14301	81.0
253.18004	6.3
271.15466	3.5
271.18756	2.6
294.01648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48954	0.8
53.21918	0.8
53.34614	0.7
54.11152	0.7
55.01867	2.2
57.03175	1.6
57.03430	32.1
57.34949	1.0
59.04996	6.7
59.78583	0.8
60.04506	1.3
61.02912	4.0
62.94795	0.9
63.96227	1.0
69.03415	100.0
71.01311	0.8
71.04969	1.5
73.02889	3.7
75.04461	4.5
81.03401	4.8
83.04949	1.3
85.02890	85.8
87.04449	60.9
87.29728	1.0
91.03922	1.4
91.05470	2.0
93.07053	1.8
95.04977	1.3
97.02872	67.0
98.11950	0.9
99.04435	2.1
103.03948	1.3
103.05444	1.0
105.07043	1.0
107.08597	1.0
109.02862	4.8
115.03905	61.4
117.06971	6.7
121.06481	43.0
123.04434	1.0
124.07573	7.5
127.03912	6.9
129.07019	1.0
131.08540	1.7
133.04944	55.4
135.08025	1.6
145.05014	10.1
145.06459	27.8
150.07640	10.7
157.06471	1.3
159.08028	5.8
161.05981	1.3
161.09619	1.6
163.06137	2.4
163.07538	13.2
169.05003	1.6
171.07893	1.2
175.07503	15.1
179.06937	1.4
181.08658	1.3
187.07509	11.6
189.09042	1.8
205.08626	9.2
217.08603	14.7
229.08653	4.1
235.09607	7.0
247.09654	4.2
253.10600	1.3
259.08093	3.6
265.10666	5.4
277.09183	2.2
295.10226	1.7
298.34247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01857	3.4
55.05503	1.6
56.96551	1.1
57.03434	8.5
57.07077	0.7
61.02916	10.2
61.29705	0.6
61.69967	0.6
65.03883	0.7
67.05498	1.3
69.03071	1.1
69.03420	24.0
69.07051	1.1
71.04976	4.6
73.02897	5.9
79.05483	4.1
81.03407	9.2
81.07043	4.0
83.04968	1.5
85.02895	100.0
85.06533	0.7
87.04452	4.4
91.03943	4.5
91.05464	77.8
93.07033	3.7
95.04960	3.0
95.08589	2.9
97.02878	34.1
97.06530	1.0
99.04433	5.9
101.02393	0.8
101.05991	0.8
105.03397	8.7
105.07021	7.7
107.04955	3.7
107.08588	5.4
109.02858	8.9
109.06504	1.2
109.10139	0.9
111.04388	0.7
111.08073	1.3
115.03898	1.6
117.07008	2.9
119.08578	4.5
121.06506	1.8
121.10143	3.7
123.04348	1.0
127.03890	18.9
128.06203	0.9
129.06985	3.6
131.08508	4.9
133.06445	1.8
133.10115	2.9
135.08083	1.0
137.05957	28.0
137.09621	0.9
142.07776	1.0
143.08585	1.6
145.04942	26.4
145.06487	1.0
145.10127	3.2
147.08087	1.2
147.11696	3.1
156.10205	3.3
157.10127	3.0
159.11682	4.7
161.04427	1.5
161.09578	1.1
161.13281	1.7
163.06013	8.2
165.09111	0.7
171.08075	1.6
171.11693	3.0
175.07510	1.8
175.11180	1.6
177.05457	1.5
179.07001	4.5
187.14838	0.8
189.12744	1.2
189.16423	1.1
199.14769	1.1
217.08588	2.6
217.15886	5.1
221.95082	0.7
235.09712	0.9
235.13332	1.0
235.16875	6.6
253.07117	1.0
253.10609	1.4
253.17999	1.2
269.10373	1.0
271.11743	5.0
325.11234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76304	0.9
53.00303	1.7
54.81900	0.9
55.01884	4.8
56.96556	1.0
57.03429	37.4
57.03687	1.9
59.05011	7.2
60.04520	1.7
61.02925	2.6
69.03416	100.0
73.02922	7.1
75.04485	5.1
75.23804	1.0
81.03410	4.0
85.02891	87.6
87.04456	69.0
93.07060	1.6
97.02871	82.0
99.04458	2.5
103.03914	1.4
109.02880	1.7
115.03911	70.1
117.07021	7.1
121.06486	31.4
127.03837	9.0
131.08621	1.2
133.04942	59.2
133.05910	2.0
135.08064	4.7
137.06036	1.1
143.56116	1.2
145.04979	6.3
145.06511	32.6
145.07576	1.5
150.07611	8.4
156.64796	1.1
157.06592	1.5
159.08032	2.7
163.06055	4.0
163.07561	19.1
175.07466	15.2
181.08626	1.3
187.07513	10.5
205.08653	5.5
217.08582	16.3
229.08742	1.3
235.09763	8.6
247.09674	1.9
259.08221	5.4
265.10696	1.9
295.10309	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03429	2.3
53.00280	1.7
55.05500	15.0
57.07067	20.5
67.05486	10.4
69.07047	25.3
71.08606	13.6
75.48367	2.4
78.81026	2.7
79.05476	5.7
81.07034	11.8
83.08596	15.1
85.10162	3.7
91.05445	3.2
93.07019	16.3
95.04952	10.5
95.08572	14.5
95.21376	2.2
97.06502	2.2
97.10116	5.2
105.06978	8.0
107.08630	3.0
109.06480	5.2
109.10118	3.0
111.04420	100.0
111.05157	4.1
111.08034	3.3
111.11680	3.3
115.80843	2.3
117.51262	2.2
119.04934	2.6
119.08539	12.8
121.06517	5.0
121.10095	4.6
123.04405	27.8
123.08039	3.2
125.05997	10.9
133.10123	2.9
135.04424	3.8
135.08017	3.3
137.05936	19.9
138.06732	2.5
139.07524	9.1
147.11702	2.6
151.07545	4.0
153.05428	17.9
161.09595	3.0
163.07632	3.1
165.05432	59.6
171.06493	2.7
183.06505	38.0
189.12701	3.8
334.35291	2.6
385.34546	13.8
403.35504	35.2
413.33978	4.2
431.35065	24.6
437.44818	2.9
449.36115	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	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01863	14.9
55.05498	0.9
57.03182	1.2
57.03431	24.7
59.04993	1.9
60.36652	0.8
61.02916	16.0
64.45507	1.0
65.03923	1.0
69.03071	1.6
69.03417	33.1
71.01334	2.5
71.04946	1.5
72.04482	1.3
73.02899	39.0
79.05468	2.2
81.03384	10.2
81.07015	2.2
85.02888	100.0
87.04438	6.5
91.03933	4.3
91.05450	6.6
93.07018	6.8
95.04927	1.0
95.08584	1.3
96.69236	1.0
97.02261	1.7
97.02868	40.2
99.04412	4.6
103.03913	5.6
103.05428	3.8
105.03377	8.9
105.06990	2.4
107.08571	4.1
109.02867	7.2
109.06473	1.3
111.04408	4.0
115.03899	12.8
117.06983	1.9
119.08585	4.1
121.06480	78.2
121.10173	1.6
123.04424	1.7
124.07559	9.8
125.05971	10.6
127.03874	19.6
129.06940	2.2
131.04903	1.5
131.08546	5.6
132.06570	1.6
133.04953	18.8
135.07970	1.5
137.05959	1.4
141.07005	1.7
143.08517	3.6
145.04929	22.3
145.06422	7.1
145.10097	1.8
149.05902	1.3
150.07626	1.8
150.28894	1.0
151.03896	24.7
151.05031	2.0
151.07550	4.1
155.08528	1.3
157.06393	3.5
157.10107	1.3
159.08022	8.9
159.11688	1.7
161.06021	1.0
161.09586	1.9
163.03902	1.7
163.05977	9.7
163.07376	2.2
167.10689	1.2
175.07509	11.6
179.07002	10.1
185.05858	1.0
187.07475	21.6
189.09128	5.3
197.07996	4.8
199.07530	4.5
201.09013	1.2
201.28847	1.1
204.25658	1.1
205.08580	14.9
207.10236	1.2
217.08617	12.3
217.15874	1.7
229.08522	5.4
235.09578	10.3
235.16818	1.2
247.09592	10.1
253.07166	3.3
253.10500	1.8
259.07986	1.7
265.10638	9.2
271.11713	21.5
277.64914	1.2
301.12616	1.5
329.86075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77853	0.2
53.03939	0.3
55.01865	0.4
55.05480	0.2
57.03433	3.8
61.02900	0.9
67.05473	0.4
68.19908	0.2
69.03415	2.6
71.04979	1.0
73.02898	0.3
75.04459	1.2
79.05479	0.3
81.03381	0.4
81.07044	1.9
85.02890	8.2
91.03938	0.3
91.05453	4.9
93.07012	1.2
94.04149	0.2
95.04948	0.5
95.08585	1.0
97.02888	2.5
97.06523	0.2
99.04447	0.5
105.07031	1.8
107.04925	1.2
107.08585	1.3
109.02841	0.5
109.06482	0.4
109.10171	0.5
117.06995	0.5
117.61343	0.2
119.04949	1.4
119.08575	2.0
121.06538	1.7
121.10113	0.5
122.03628	0.3
123.04408	0.9
127.03886	1.8
129.06973	0.4
131.08546	0.5
133.10103	1.3
137.05960	100.0
138.05415	0.5
138.06360	0.5
138.30742	0.2
143.08553	0.5
145.04927	1.3
145.06442	0.3
145.10085	0.5
147.04385	1.0
147.07991	0.3
147.11688	0.4
149.06032	1.9
151.07550	1.2
151.11143	0.2
153.01831	0.6
157.10106	1.1
159.11710	1.0
161.09622	0.9
161.13222	0.5
173.13092	0.3
175.07523	5.2
175.11208	0.4
177.12680	0.3
179.07002	18.9
189.09167	0.4
189.16417	0.4
193.08549	0.4
195.06506	0.4
197.08089	2.6
199.14832	0.5
207.10172	0.4
215.06944	0.3
217.15846	1.5
223.09622	0.3
235.09578	1.8
235.13321	0.4
235.16924	1.2
245.28111	0.2
249.59239	0.2
253.10619	5.1
253.14320	0.4
253.18033	0.4
271.11722	13.2
295.41867	0.3
329.76041	0.2
331.90759	0.2
379.70227	0.2
397.76544	0.3
413.52371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16114	0.5
61.02862	2.6
61.17118	0.4
68.99702	0.4
69.03364	2.6
73.02840	0.7
81.03358	0.7
81.06997	1.0
85.02898	6.3
90.95964	0.4
91.03886	0.6
91.05437	1.7
92.09308	1.1
93.06996	0.7
95.04896	0.5
95.08551	0.6
97.02831	2.2
105.06976	0.6
107.08549	0.8
109.02811	0.6
117.06959	1.0
118.07332	0.5
119.08560	16.0
120.08910	5.9
121.02805	2.5
127.03821	0.7
153.01768	2.4
165.01822	1.0
183.02805	0.5
185.04138	1.1
213.05467	0.8
231.06264	0.5
258.05045	0.5
269.11444	0.7
287.02148	0.8
287.05478	45.1
287.12460	99.5
449.17740	100.0
450.17975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50299	0.4
55.01845	0.8
55.05497	1.0
57.03425	0.7
61.02897	2.7
62.88379	0.4
67.05476	2.1
69.03414	2.5
69.07043	0.8
71.04970	0.8
73.02893	0.8
78.04675	0.4
79.05481	4.0
81.03390	0.4
81.07029	4.7
82.07389	0.5
83.04961	0.7
85.02893	6.2
85.06531	0.8
90.25491	0.4
91.03931	0.5
91.05451	5.4
92.05746	0.7
92.62762	0.4
93.07008	5.6
94.07310	0.4
95.04929	2.2
95.08597	4.1
96.08923	0.8
97.02869	2.5
97.06507	1.5
103.05414	0.7
104.06195	0.6
105.07014	13.1
107.04926	2.2
107.08565	4.6
108.08889	0.8
109.06470	0.6
109.10136	1.9
111.08086	0.6
115.05412	2.6
117.06988	5.3
119.04919	2.2
119.08561	6.5
120.08856	3.5
121.02817	0.9
121.06487	3.5
121.10123	2.4
123.04384	0.9
123.08053	2.8
125.05949	0.9
127.03903	0.4
128.06134	0.5
131.08563	3.0
132.05655	0.5
132.08885	0.8
133.06458	10.6
133.10120	2.1
134.07208	0.7
135.08026	2.7
135.11681	0.7
137.05945	1.8
137.09558	0.5
143.08517	2.4
145.04941	0.4
145.06421	0.6
145.10101	3.4
146.10402	1.7
147.04401	0.6
147.11621	0.8
149.09579	1.9
151.07512	12.8
153.01807	2.4
159.11613	2.4
160.12051	1.8
161.05933	8.4
162.06754	2.8
163.07448	0.6
163.11122	3.3
164.11484	2.5
165.01799	0.5
167.07005	16.7
171.07979	0.8
173.09550	0.6
175.07492	2.6
175.11176	0.5
177.09073	100.0
178.06238	0.6
178.09427	1.7
187.14798	1.4
188.15141	0.8
189.12708	0.4
193.08566	32.1
194.08960	0.7
195.10133	4.6
203.10649	0.6
205.15788	0.6
213.05478	0.6
216.10896	0.6
216.14671	0.4
221.11720	10.4
233.11644	0.5
233.15335	2.4
234.12012	0.7
234.15619	3.4
251.16371	1.6
252.16699	2.1
267.12234	6.2
287.05444	37.6
288.05765	1.6
375.18066	0.9
424.03210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.1
55.19944	0.1
67.01852	0.7
68.99458	0.1
68.99763	0.5
69.03396	0.1
73.02872	0.1
79.05460	0.2
81.07027	0.3
85.02876	0.3
89.03889	0.3
89.79001	0.1
91.05457	0.1
91.43482	0.1
91.95294	0.1
93.07005	0.1
95.08609	0.2
97.02847	0.1
97.70645	0.1
105.07006	0.1
105.95775	0.1
107.04955	0.1
107.08546	0.1
109.10117	0.1
111.00829	0.1
117.03364	0.1
119.08544	0.1
129.01840	0.2
135.04401	2.2
137.02357	0.6
137.03247	0.1
140.04729	0.1
145.10112	0.1
153.01810	6.2
161.02327	0.9
164.07002	0.1
165.49992	0.1
171.02928	0.6
171.04207	0.1
179.03365	0.4
181.04996	0.1
199.37714	0.1
213.05373	0.1
231.06470	0.1
233.15305	0.1
241.04770	0.5
245.04407	0.1
259.05902	0.1
264.23013	0.1
266.41006	0.1
269.04373	0.6
271.46628	0.1
287.05444	100.0
288.05759	1.1
449.10458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
55.01854	0.6
65.03928	2.8
67.01823	0.9
67.05466	2.3
68.99764	0.6
69.03381	0.7
69.07028	0.7
71.04955	0.5
73.02876	0.4
74.68770	0.3
78.41379	0.3
79.05453	1.9
81.03376	0.5
81.07013	2.2
82.04143	0.9
85.02879	4.7
85.06522	0.5
89.03910	0.5
91.05461	5.5
93.03368	0.7
93.06991	2.3
95.04492	0.3
95.04939	5.3
95.08559	1.6
97.02847	0.7
97.06478	2.1
103.05430	2.3
105.07006	3.4
107.04938	3.0
107.08526	0.8
108.02064	0.4
109.06458	0.6
109.10123	0.3
110.03611	2.3
111.04404	1.6
115.05407	0.6
117.03357	0.5
117.06985	0.6
119.04924	3.9
119.08553	13.5
120.08858	2.5
121.06459	1.9
121.10075	0.6
123.00739	0.7
123.04377	4.0
125.02316	0.4
125.05912	1.6
127.07574	0.4
129.94246	0.4
131.04907	4.7
131.08557	0.6
133.02805	0.5
133.06448	2.2
133.10074	0.7
135.04404	2.8
137.02328	0.6
137.05943	0.7
138.03110	0.7
139.03825	0.6
140.03598	0.7
140.04657	14.5
143.08557	0.6
145.02774	0.5
145.10107	0.9
147.04375	3.9
149.05942	3.7
153.01808	6.3
153.05432	2.2
154.06183	1.6
155.07011	6.8
159.04327	0.8
161.02316	0.6
161.05928	1.9
163.03893	0.4
167.06985	8.9
171.06474	2.4
175.03903	3.9
177.05441	5.0
179.03456	0.5
179.06976	0.5
181.04912	37.4
182.05669	1.7
183.06520	0.6
189.05409	1.7
191.06985	1.7
193.08568	2.0
206.05684	0.4
207.06506	3.9
215.14316	0.7
217.04858	0.5
219.06480	0.9
221.08066	1.5
223.05980	0.4
233.15300	1.4
251.16335	2.0
265.06967	1.6
267.08554	3.9
269.17410	1.4
287.05432	100.0
319.11636	2.6
449.14307	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03926	0.7
55.01853	0.6
55.17237	0.1
57.03426	1.7
57.45068	0.1
61.02645	0.1
61.02915	2.3
68.99775	0.7
69.03413	4.7
69.07030	0.1
71.01336	0.1
71.04961	0.6
73.02899	0.9
76.56377	0.1
79.05486	0.2
81.03399	2.3
81.07024	0.2
83.01331	0.2
85.02887	11.0
87.04437	0.5
87.50816	0.1
89.03762	0.1
89.35169	0.1
91.03915	0.6
91.05434	0.2
93.06998	0.4
95.04970	0.2
95.08568	0.2
97.02865	3.7
99.04422	0.6
103.05434	0.2
105.03344	0.5
107.04905	0.6
107.08565	0.2
107.92472	0.1
109.02863	1.5
109.06470	0.2
111.00793	1.1
111.04424	0.2
119.08562	2.3
120.08869	0.7
121.02836	4.5
121.10122	0.1
127.03902	1.5
129.06960	0.2
131.08551	0.1
133.02835	0.7
135.04391	0.1
137.02315	1.4
141.07002	0.1
145.04955	0.8
145.06435	0.5
145.10062	0.2
147.04361	0.9
149.90642	0.1
151.03828	0.1
153.00555	0.3
153.01802	7.2
157.05264	0.1
157.06442	0.8
159.11690	0.1
163.03825	0.1
165.01788	3.2
165.64116	0.1
169.06393	0.1
171.04347	0.7
175.03903	0.2
183.02847	1.3
185.05972	0.7
189.05444	0.2
203.07001	0.2
213.05447	2.3
231.06500	1.2
233.15269	0.3
241.04913	1.2
243.06378	0.1
251.16373	0.2
258.05200	2.0
259.06000	0.6
269.04214	0.2
287.05435	100.0
288.05716	0.9
404.95709	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
51.35444	0.4
53.03937	0.9
54.07210	0.4
54.09639	0.4
54.82336	0.6
55.01855	0.9
55.05493	1.0
57.03427	9.1
59.04971	0.7
60.93318	0.4
61.02898	1.1
67.05484	3.1
69.03407	3.8
69.07043	2.2
71.04974	43.3
73.02888	1.9
73.66933	0.4
75.04459	1.0
76.06787	0.5
79.05463	3.2
81.03384	1.0
81.07037	5.0
83.04950	2.0
83.08591	0.5
85.02885	39.2
85.06523	1.2
87.04438	1.1
91.05458	3.5
93.03382	0.6
93.07015	4.8
95.04943	3.5
95.08585	3.6
96.08927	0.5
97.02865	0.6
97.06535	0.9
99.04453	1.0
103.05518	0.5
105.07017	5.3
107.04921	0.7
107.08600	4.4
109.02863	1.0
109.06532	1.7
109.10132	2.0
111.00778	1.0
111.04395	0.8
111.08040	0.6
117.07001	1.1
119.08554	10.6
120.08093	0.7
120.08878	1.0
121.02847	2.5
121.06435	1.1
121.10126	1.0
123.04424	0.6
123.08073	0.8
125.05943	0.9
125.09607	0.5
127.03899	0.8
129.05432	4.7
131.04869	0.6
131.08521	4.7
132.01508	0.5
132.26231	0.5
133.06450	1.0
133.10086	3.3
134.10522	0.6
135.04407	0.8
135.08026	1.2
135.11610	0.7
137.02336	5.8
137.06003	0.8
137.09576	0.8
145.10115	4.6
146.10460	0.8
147.08000	2.8
147.11636	2.4
149.02341	1.0
149.09529	0.6
153.01790	7.9
159.11656	2.7
161.05928	0.6
161.09561	0.7
163.11108	1.1
165.01701	3.6
173.09557	0.6
173.13104	0.6
177.05525	0.6
183.02774	1.1
187.14854	2.0
193.12218	0.9
201.05408	2.1
205.15881	2.4
229.04898	5.9
233.11719	0.8
233.15260	5.3
234.11823	0.5
234.15550	1.1
236.12099	0.5
247.05937	0.9
251.12700	2.6
251.16370	6.7
252.16742	3.5
257.04449	4.5
259.05756	0.6
263.06424	0.5
270.17236	0.5
274.04654	0.9
285.03934	1.0
287.05420	13.9
303.04926	100.0
304.05188	0.7
328.40781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
56.36813	0.1
57.03416	0.1
58.49115	0.1
61.02908	0.1
63.65210	0.1
67.01863	0.7
68.99776	0.5
69.03403	0.2
70.96657	0.1
73.02888	0.1
79.05453	0.1
81.07071	0.3
85.02871	0.4
89.03922	0.2
91.05432	0.1
93.06982	0.1
95.04935	0.1
95.08573	0.2
97.02870	0.1
107.04926	0.2
117.03284	0.1
117.25714	0.1
119.08562	0.1
121.10113	0.1
122.23786	0.1
129.01837	0.1
135.04395	2.5
137.02307	0.4
145.10097	0.1
153.01805	6.8
161.02298	0.7
171.02898	0.8
179.03403	0.5
181.04919	0.2
201.05420	0.1
203.03331	0.1
217.04813	0.1
219.06490	0.1
241.04846	0.6
245.04395	0.1
259.05933	0.1
269.04422	0.6
287.05450	100.0
288.05878	1.0
376.37598	0.1
449.10547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	0.2
53.51177	0.1
53.64574	0.2
57.03422	0.7
61.02918	9.7
67.29826	0.1
68.99780	0.9
69.03419	1.6
73.02901	2.6
81.03405	0.7
85.02895	6.8
91.03940	3.0
92.09260	0.2
95.04980	0.2
97.02877	3.6
99.04433	0.3
105.03384	0.3
107.04916	0.6
109.02868	0.8
111.00797	1.3
119.08548	0.2
120.99545	0.2
121.02848	4.5
121.03834	0.2
121.04070	0.2
127.03902	0.8
133.02870	0.8
135.04410	0.2
137.02315	1.3
142.23540	0.2
145.06409	0.2
147.04376	0.9
153.01817	7.2
157.06454	0.4
161.05923	0.3
165.01790	2.9
183.02834	1.6
185.05954	0.8
203.03456	0.3
213.05492	2.6
231.06544	1.2
241.04843	1.5
250.45787	0.2
258.05145	1.8
259.05997	0.8
287.05457	100.0
288.05930	0.9
318.66885	0.2
358.65533	0.2
420.23654	0.2
449.17786	2.9
458.85767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05509	10.9
57.07059	1.1
59.04975	1.8
67.05486	5.4
69.07048	3.9
71.04976	12.4
76.56545	0.9
79.05479	40.6
81.07037	24.5
83.08604	6.7
91.05461	10.5
93.07021	35.0
93.67809	0.8
95.04916	1.0
95.08588	14.0
97.10133	6.7
105.07020	22.2
107.08578	100.0
109.06486	1.1
109.10126	5.0
119.08552	13.9
121.10118	50.6
121.47989	0.8
123.11696	1.0
125.09607	44.8
131.08511	1.2
133.10123	6.5
139.07437	0.8
145.10115	1.6
147.11653	10.0
149.13152	0.7
159.11739	1.4
161.13268	3.1
167.79581	0.8
195.13707	1.3
201.16296	0.8
203.17950	11.4
212.16455	1.7
219.17451	8.5
258.90558	0.8
290.87888	0.9
303.45087	0.7
374.18375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30441	0.9
55.05501	7.9
55.06276	0.9
57.07062	5.3
57.24503	0.9
67.05484	6.9
69.03417	1.2
69.07052	10.2
71.04971	5.1
71.08613	5.8
78.77513	0.9
79.05470	20.4
81.07040	18.9
83.08595	4.1
91.05470	9.7
92.64849	1.1
93.07020	14.6
95.04909	1.1
95.08580	9.4
96.41045	1.1
97.06503	1.1
97.10140	3.9
104.27323	1.2
104.72713	1.0
105.07011	28.4
107.04900	1.1
107.08567	50.5
109.06497	2.0
109.10164	8.6
113.03110	1.0
115.05449	1.2
117.06985	2.3
119.08569	8.7
121.06490	16.2
121.10139	6.6
125.09609	15.3
130.07703	1.3
131.08527	13.6
133.10117	15.4
135.08012	7.4
135.11678	6.8
139.07507	1.5
142.07764	2.4
143.08549	4.5
145.10104	100.0
146.07225	9.8
147.07901	1.1
147.11687	5.8
153.12582	1.0
157.10146	4.9
159.11656	15.6
161.09587	77.5
161.13239	1.7
164.68932	1.1
167.06981	1.3
175.11166	7.0
175.14838	1.3
195.13766	1.9
197.13725	1.1
197.15288	9.7
201.16353	49.5
203.17926	4.6
217.15831	14.8
350.57544	1.2
412.34879	1.4
413.00040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45212	0.5
67.05482	3.6
68.15146	0.6
69.07042	0.7
79.05509	0.7
80.17974	0.7
81.07032	0.8
82.73656	0.6
91.55903	0.6
92.08564	1.4
93.06994	1.0
94.51590	0.7
109.10135	4.3
119.08572	2.8
121.06470	13.6
122.07211	2.5
135.07991	1.0
136.08821	16.1
137.09610	15.4
149.02321	1.6
149.09589	1.6
151.07411	1.0
152.08278	0.9
164.08301	32.4
165.09077	100.0
177.09047	0.8
182.09116	0.7
191.40462	0.7
205.12225	6.1
324.26031	0.7
396.71960	0.8
430.37964	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	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01846	1.0
57.03391	1.4
61.02892	0.6
65.03889	0.4
67.01848	0.3
67.05463	0.5
68.99757	1.4
69.03371	0.4
79.05458	0.5
81.03365	1.5
81.07011	0.6
83.04947	0.5
85.02881	3.4
85.22139	0.3
91.05419	1.5
92.64310	0.3
93.06998	0.5
95.04928	1.2
95.08532	0.5
97.02859	1.4
103.03854	0.5
103.05413	0.3
105.06988	1.2
107.04878	0.4
107.08556	0.6
109.02805	1.8
109.10136	0.3
117.03279	0.3
118.69991	0.3
119.04877	0.5
119.08517	0.7
121.02793	1.6
121.06464	1.1
123.04473	0.4
127.03931	0.3
131.04871	0.5
131.08508	0.6
133.02850	0.4
133.10046	0.3
135.04393	4.7
137.02313	9.2
141.01788	2.7
145.10013	0.5
147.04362	1.2
149.02322	2.2
153.01813	1.1
157.10100	0.4
159.04419	0.5
161.02295	4.3
163.03886	3.2
165.01790	17.8
167.03357	5.9
175.03835	0.4
177.01765	1.8
177.05411	0.3
179.03348	1.9
181.04845	1.5
181.06354	0.5
183.02849	8.5
187.03839	1.4
189.01823	0.5
190.02551	0.4
191.03311	2.4
195.02893	2.6
203.03320	1.3
205.04892	1.5
207.02795	0.4
215.03351	0.6
231.06456	0.4
233.04419	1.1
241.04706	0.4
243.02948	0.4
245.04379	1.8
251.16260	0.3
255.06537	2.0
258.05249	0.5
269.08044	0.3
271.05981	1.2
272.06696	1.3
283.05927	10.3
286.04666	4.2
287.05389	6.7
295.05933	2.4
297.07483	8.8
299.05438	100.0
300.06189	11.5
301.06805	0.4
309.07703	0.4
310.04623	0.7
311.05411	11.3
311.09048	3.4
313.03595	0.4
313.06839	3.1
321.07516	2.9
323.05457	2.5
324.06299	2.3
325.03473	2.0
325.06967	23.2
327.04843	0.5
329.06485	62.0
330.06940	0.3
337.06848	3.3
339.05188	0.8
339.08563	16.4
341.06317	0.4
349.07047	4.0
351.08554	0.3
353.06454	26.4
365.06516	10.6
367.07870	2.6
377.06430	8.6
383.07516	16.2
395.07520	12.5
413.08603	13.2
431.09631	10.6
449.10678	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	448.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.5
56.03819	1.0
56.70859	1.2
57.07064	4.7
67.05492	8.4
69.07051	11.5
71.04976	5.0
71.08617	5.7
79.05066	1.2
79.05482	20.0
79.48217	1.0
81.07047	21.7
83.08600	5.7
91.05470	15.6
93.07018	19.3
95.04937	7.9
95.08577	9.6
97.10210	1.2
105.07021	27.7
107.08585	47.1
109.06530	1.2
109.10153	11.7
115.05334	1.3
117.07008	5.3
119.04931	16.7
119.08569	17.5
121.06506	17.9
121.10105	10.4
123.11638	1.8
125.09607	14.6
128.06192	2.0
130.07802	1.8
131.08556	14.2
133.06436	1.8
133.10139	18.0
135.08035	19.6
135.11668	13.0
137.09613	7.1
139.07526	2.2
142.07802	2.5
143.08534	5.5
145.10115	100.0
146.07222	9.4
147.04381	34.8
147.08015	1.9
147.11713	1.8
149.09598	1.6
149.13210	1.5
153.09042	1.6
157.10132	5.5
159.11684	18.0
161.09593	70.0
161.13319	2.5
163.11188	17.2
167.24835	1.2
175.11162	6.8
183.11639	1.3
197.15350	2.1
201.16374	42.7
213.14819	1.9
215.65681	1.0
217.15842	13.9
219.17421	38.4
237.18539	1.5
297.32257	1.2
310.42078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.9
59.04986	0.9
64.33318	0.7
67.05490	5.3
69.07061	3.9
70.51169	0.7
71.04982	16.7
75.47979	0.7
79.05482	45.5
81.06590	1.3
81.07043	22.9
83.08593	4.7
91.05464	11.9
93.07030	35.0
95.04947	1.1
95.08588	13.1
97.10134	5.0
105.07019	19.3
107.08587	100.0
109.06493	5.1
109.10146	4.8
114.53178	0.7
119.06032	0.8
119.08571	11.7
120.65575	0.7
121.10126	35.0
123.08060	0.8
123.11710	1.0
125.09617	41.3
131.08546	1.0
133.10138	6.7
135.11697	4.0
145.10155	1.1
147.11696	7.5
149.09373	0.8
159.11671	1.7
161.13257	3.4
175.14813	1.0
177.12720	1.4
180.35239	0.7
195.13748	1.0
199.75652	0.6
203.17995	10.5
219.17471	6.0
235.16951	5.8
255.38211	0.6
327.81671	0.7
347.64828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
53.49184	1.1
54.06747	1.1
54.81198	1.2
55.01867	5.7
55.05487	9.4
57.03424	2.8
57.07056	1.2
61.02911	2.4
61.64221	1.1
63.96361	1.1
67.05494	15.6
69.03419	13.4
69.07051	19.6
71.04974	36.3
73.02908	3.1
78.24940	1.3
79.05472	27.1
81.03398	10.3
81.07038	39.7
83.04969	16.1
83.08606	5.4
85.02893	28.4
85.06518	1.4
91.05457	29.5
93.07023	53.5
95.04961	12.8
95.08585	37.8
97.02869	9.7
97.06502	18.0
99.04456	11.5
99.08061	1.6
105.07014	70.3
107.04931	19.2
107.08572	35.5
109.02875	2.0
109.06505	17.6
109.10128	13.4
111.04432	3.3
111.08082	5.2
113.06026	1.6
113.09629	2.8
117.01042	1.4
117.07004	12.1
118.69455	1.4
119.04906	7.6
119.08558	50.2
121.06479	23.5
121.10118	21.3
123.08052	7.9
123.11691	2.0
125.05974	20.0
125.09595	3.2
127.03866	2.3
127.11106	1.3
129.07005	2.5
130.07776	1.6
131.08539	37.7
133.06459	6.6
133.10110	22.3
135.04390	5.9
135.08035	9.4
135.11684	17.8
137.05963	9.9
137.09543	9.7
139.07512	3.2
142.07758	1.8
143.07013	6.2
143.08572	6.8
144.09296	3.0
145.04974	1.4
145.06480	7.2
145.08966	2.8
145.10109	71.5
147.08025	20.7
147.11649	14.8
149.05959	9.3
149.09619	2.5
151.11127	1.4
153.01837	1.6
154.07761	2.1
155.08574	2.5
157.08577	1.3
157.10085	5.9
158.07222	2.4
159.08046	5.9
159.11664	39.3
161.09647	5.9
161.13249	4.9
163.07504	2.8
163.11151	72.4
163.12489	2.8
165.09128	2.3
167.07016	5.3
169.10118	6.1
171.08180	1.5
171.11665	2.4
172.08826	2.6
172.60449	1.2
173.09578	39.4
173.13211	2.7
175.11182	2.2
177.09227	4.5
177.12732	6.8
177.16379	5.3
179.08510	2.6
181.12190	14.6
182.07138	2.1
187.11151	23.1
187.12700	1.6
187.13274	1.9
187.14772	25.5
189.12735	2.4
191.10677	8.8
197.09581	6.1
205.12256	14.9
205.15834	47.2
213.12524	1.4
215.10631	22.7
215.14253	8.9
227.12625	9.5
233.11725	40.4
233.15285	44.3
244.83891	1.5
251.12747	27.9
251.16383	100.0
269.13742	8.1
269.17340	3.0
287.05396	22.0
303.04935	14.3
304.05426	2.7
382.10495	1.3
448.16702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90173	1.6
53.03948	2.2
53.30147	1.6
57.03419	1.8
60.20586	1.4
65.71566	1.5
68.72119	1.6
69.03391	11.2
71.04976	3.5
74.15560	1.6
81.03392	2.3
85.02893	13.2
91.05448	4.5
93.07016	3.2
97.70295	1.9
105.07033	13.3
106.06499	4.0
107.04929	2.1
107.08539	2.2
108.87216	1.8
115.03911	11.9
117.06992	3.6
118.06509	2.3
119.08572	24.7
127.03861	3.7
129.06960	7.4
131.08510	13.4
140.85364	1.8
141.06955	8.8
142.07793	3.3
143.08530	13.5
144.09317	9.3
145.10132	17.1
147.11696	3.0
149.13206	2.2
154.08618	12.6
155.08559	4.0
156.09319	79.9
157.10098	15.1
158.10869	7.9
159.11659	100.0
160.12308	3.0
161.13112	2.3
161.70461	2.0
163.07516	3.1
169.10112	19.1
171.11667	61.0
172.08926	2.5
173.09666	3.2
173.13252	2.2
175.07538	7.0
175.11174	3.7
177.12727	8.6
187.11143	29.2
197.09541	28.9
199.11081	4.3
215.10664	22.6
217.12186	8.9
220.93324	2.2
233.11723	33.4
235.13252	6.4
251.12766	17.4
446.21832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05507	2.2
55.85232	0.3
57.03429	11.5
59.04994	0.6
60.16881	0.3
61.02904	1.3
64.32698	0.4
68.80064	0.3
69.03414	3.1
69.53259	0.3
71.01345	0.5
71.04975	73.4
73.02887	3.0
75.04449	4.2
79.86259	0.3
80.24363	0.3
81.03390	0.6
81.07059	0.4
83.04962	6.4
85.02888	100.0
87.04447	1.6
91.05463	0.7
93.06991	0.5
97.02870	4.4
99.04423	1.7
99.89334	0.3
103.03928	0.7
105.07005	2.3
109.02863	0.7
111.04410	3.8
119.08535	0.7
121.10109	0.3
124.60807	0.3
127.03886	3.5
129.05457	24.5
131.08476	0.3
137.05959	0.6
145.04945	4.6
145.08144	0.4
146.08076	0.5
147.06496	14.1
163.05949	1.5
164.09132	3.7
233.15283	0.5
255.08530	0.9
273.09485	0.7
309.11700	1.8
417.70514	0.5
449.11212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01853	1.9
55.05501	11.1
57.03427	5.4
57.07066	2.6
61.02869	1.8
63.53776	1.1
67.05502	13.5
69.03410	12.4
69.07057	9.1
71.04972	5.7
71.84210	1.1
73.02887	1.1
73.26328	1.0
79.05471	15.9
80.78284	1.0
81.03415	1.7
81.07037	73.1
83.04961	6.3
83.08599	6.8
85.02887	17.7
85.06521	10.0
87.04446	1.6
91.05444	11.8
93.07019	34.3
95.04953	7.6
95.08582	36.1
97.02872	4.8
97.06512	7.9
99.04456	4.6
99.08053	14.9
105.07014	32.8
107.04968	1.8
107.08575	72.8
109.06490	14.9
109.10135	15.3
111.04396	12.7
111.08055	11.3
117.07018	5.6
119.08553	50.8
121.06480	7.9
121.10110	28.3
121.44448	1.1
123.08025	15.3
123.11669	16.6
125.05981	2.6
125.09634	6.5
127.03866	1.7
129.07007	1.2
131.08548	19.6
133.10097	22.9
135.08025	10.4
135.08984	1.0
135.11668	7.1
137.05951	4.3
137.09590	1.9
138.86574	1.1
139.07533	2.9
143.08473	1.9
144.09360	1.2
145.10104	64.4
147.08026	2.2
147.11665	28.6
149.05893	1.2
149.09608	7.0
149.13266	5.3
151.07538	5.8
151.11143	16.4
153.09093	2.1
157.10069	4.8
159.07950	1.2
159.11647	28.9
161.09558	1.2
161.13258	14.3
163.07552	2.1
163.11192	8.0
171.11639	1.9
173.09615	5.6
173.13219	7.7
175.11082	2.8
175.14725	8.9
177.09122	2.7
177.12648	8.1
177.16370	5.2
179.30365	1.5
185.13155	1.3
187.11092	1.9
187.14781	40.6
189.16322	2.0
191.10680	1.3
193.12138	1.3
197.13164	3.8
203.14320	5.4
205.15840	30.6
215.14279	13.6
221.15315	4.4
223.16885	5.7
233.15314	60.8
251.16357	100.0
269.17343	6.7
413.21948	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	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27870	0.1
54.43100	0.2
54.57083	0.1
54.82214	0.2
55.01855	0.4
55.05495	1.2
57.03419	1.2
60.72530	0.2
61.02912	0.3
67.05116	0.2
67.05470	0.3
69.03410	1.6
69.07044	0.2
71.04969	0.4
73.02892	0.5
74.09692	0.4
79.05470	0.9
79.09957	0.2
81.07039	2.3
82.06551	0.2
83.08615	0.3
85.02890	2.7
89.03909	0.4
89.38670	0.2
91.05461	0.9
93.07008	1.0
94.86997	0.2
95.04952	0.3
95.08588	0.4
97.02862	1.0
97.05209	0.2
97.06497	0.2
97.34249	0.2
98.06057	0.4
98.09668	0.2
99.04398	0.2
105.07021	1.4
107.03778	0.2
107.08575	0.4
108.08088	0.4
109.06509	1.5
110.06037	0.2
111.06847	0.3
115.03893	0.2
117.03352	1.7
117.06972	0.3
119.08540	0.9
126.09097	0.9
127.03845	0.3
129.90442	0.2
131.08565	1.3
133.10043	0.4
139.06230	0.8
143.08484	0.2
145.02821	6.4
145.10120	1.0
147.08005	0.2
147.11623	0.2
149.05959	1.2
154.08603	100.0
155.08862	0.3
156.09296	0.8
157.10049	0.3
159.08011	0.3
159.11684	3.3
161.09515	0.3
161.13179	0.4
163.03876	0.2
163.07532	1.3
169.10103	0.2
171.11543	0.3
173.13211	0.2
175.11160	0.8
177.05429	12.3
177.12653	0.2
187.11111	0.4
187.14755	0.3
191.06985	0.9
191.10751	0.2
195.06442	1.6
197.09503	0.2
210.70914	0.2
215.10600	0.2
215.14194	0.3
223.09627	1.2
233.08067	0.3
233.11739	0.5
233.15283	1.2
251.09070	1.5
251.12706	0.9
251.16350	0.4
262.99954	0.2
269.10126	2.4
269.17181	0.4
316.13733	0.8
448.17807	0.2
448.23758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.26779	1.1
55.01859	2.5
57.03422	2.2
61.02909	5.7
69.03412	14.9
71.04967	2.8
73.02896	2.8
81.03392	2.6
81.07024	1.5
85.02894	42.8
91.03970	1.2
91.05436	4.6
93.07020	1.5
95.08593	1.9
97.02866	11.9
99.04453	1.4
103.05444	9.6
105.07021	16.0
107.04966	1.5
109.02856	2.7
109.97879	1.2
111.13311	1.3
113.16164	1.2
115.03925	2.7
115.05419	13.4
117.06991	26.2
119.08578	6.2
121.10064	1.2
127.03903	2.7
129.06985	1.3
131.04898	40.5
131.08578	2.5
131.45415	1.2
132.66594	1.4
133.06462	22.3
135.08063	5.9
138.09200	1.4
143.04895	2.2
143.08548	2.1
144.08125	1.7
145.05101	4.1
145.06467	57.1
145.10071	2.3
147.04416	2.2
147.08032	1.3
149.06050	2.3
155.06055	8.8
156.09357	6.0
157.10123	1.7
159.04378	14.3
159.08023	2.0
159.11681	8.4
160.05161	2.1
161.05949	44.2
162.06714	2.2
163.07495	27.9
167.06981	11.9
171.11679	6.7
173.05942	46.3
173.07399	1.9
174.06805	1.4
177.05429	2.5
177.12772	2.1
178.06201	23.0
180.08658	2.5
187.11134	1.6
189.05533	1.9
189.12621	1.6
190.06230	2.1
191.07004	37.1
192.07712	1.3
193.08583	30.9
195.10210	2.3
197.09595	2.8
197.19986	1.3
201.05437	2.8
203.07001	1.7
205.08601	17.0
215.10765	4.4
219.06490	42.1
219.08395	1.6
223.09610	80.1
233.08052	6.6
233.11699	6.1
233.15308	2.3
237.07628	2.4
251.09084	20.6
251.16264	1.7
251.91872	1.4
269.10123	100.0
286.12747	5.7
329.97711	1.1
441.09653	1.6
448.17624	2.1
449.16422	1.4
458.09033	1.4
474.92657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05498	15.4
57.07067	2.5
59.04967	5.2
67.05502	18.5
69.03410	5.8
69.07056	50.5
71.04974	4.8
79.05475	21.2
81.07050	38.2
83.04967	3.3
83.08606	9.2
89.92044	2.7
91.05462	23.1
93.07032	58.7
95.04950	9.2
95.08592	33.4
97.06512	34.8
102.60906	2.4
105.07024	74.0
107.08578	54.6
109.06489	12.4
109.10137	23.5
111.08083	2.6
117.06995	5.6
119.08569	76.6
121.06495	12.2
121.10122	26.8
123.08062	5.8
123.11675	14.0
131.08549	22.8
133.06456	4.3
133.10112	100.0
135.08022	15.6
135.11708	18.2
137.09615	6.0
139.07491	22.2
142.07790	3.7
143.08542	6.0
145.10104	29.6
146.10739	2.7
147.07985	6.3
147.11713	23.4
148.20114	2.5
149.09601	3.7
149.13196	5.7
151.11113	4.5
151.49469	2.5
157.10072	5.8
159.11670	5.8
161.09567	22.9
173.13223	3.7
175.11142	5.6
175.14764	4.0
179.10721	3.3
189.12706	3.1
189.16389	34.7
191.14279	10.2
195.13795	14.4
199.14740	6.0
201.16455	3.8
207.17404	5.0
217.15903	38.0
235.16884	67.1
446.42081	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	447.3464
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
54.82162	0.6
55.05505	3.2
57.07066	13.4
67.05486	1.2
69.07054	1.5
71.04979	2.5
71.08615	9.0
74.72090	0.5
79.05468	5.6
80.05788	0.5
81.07043	3.9
83.01331	1.1
85.06524	0.6
85.10173	1.4
87.94740	0.5
91.05467	2.6
92.09332	0.6
93.07009	4.5
95.01319	3.4
95.04932	0.9
95.08586	0.9
95.25629	0.6
99.00797	16.0
99.04438	1.5
105.07012	6.8
106.07353	0.9
107.08570	7.0
108.08894	1.2
109.02881	1.0
109.10194	0.7
113.02350	4.1
117.01846	3.5
118.97733	0.6
119.08552	2.7
121.06504	3.6
121.10172	1.0
123.04411	0.6
125.05949	0.8
125.09601	1.2
127.03902	0.6
131.08540	3.5
132.08867	1.2
133.10091	3.0
135.04436	1.0
135.08038	3.2
135.11688	1.5
137.06000	1.1
143.08492	0.6
145.10104	33.7
146.10432	16.7
149.05978	1.2
149.09689	0.9
151.07538	0.9
153.05472	5.6
157.10208	0.7
159.11642	4.7
160.11980	1.4
161.09624	2.3
162.09981	0.8
163.07532	4.1
175.11235	0.8
177.09042	3.4
181.04930	24.7
183.06471	0.9
191.07043	3.9
191.10701	1.0
195.06496	54.6
201.16360	15.5
202.16695	9.2
205.08580	2.4
205.12280	0.6
209.08069	31.1
221.27524	0.6
223.09612	24.1
237.11156	17.1
251.12720	12.6
265.14304	8.7
279.15842	3.5
293.17465	1.5
307.19067	1.2
321.20514	2.9
349.23663	0.9
377.26862	1.1
391.28271	0.8
447.34598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26703	1.0
53.03931	1.8
55.01869	2.3
57.03423	4.7
59.71540	0.9
61.02898	6.4
69.03423	12.2
71.04969	1.3
73.02896	2.2
79.05466	1.3
81.03396	2.3
81.07028	1.8
85.02894	38.6
85.03371	2.2
91.03976	1.2
91.05467	4.3
93.07011	1.9
95.04916	1.6
97.02879	11.6
99.04468	1.2
103.05460	13.8
105.07018	17.9
107.04944	4.4
107.08632	1.5
109.02838	1.8
111.67149	1.0
115.03914	1.6
115.05447	16.2
117.07003	32.5
119.08540	5.9
121.10156	1.3
121.76138	1.2
127.03903	4.8
129.06979	1.2
131.04915	38.5
131.08534	1.6
131.51268	1.0
133.06464	24.0
135.08017	7.1
135.94540	1.1
138.09175	1.5
143.04948	2.5
145.05093	3.6
145.06464	67.3
145.07587	2.4
145.10159	1.7
146.03612	1.2
147.04393	1.5
147.07959	1.8
147.11702	1.6
155.05980	10.2
156.09315	7.6
157.10126	1.5
159.04388	15.9
159.11646	9.1
160.05078	1.5
161.05954	44.5
162.06700	1.8
163.07515	29.2
167.07039	13.1
169.10110	2.0
171.11673	6.7
173.05939	44.8
173.07405	2.2
174.06708	1.2
175.07539	1.7
175.11171	2.4
176.04637	1.9
177.05397	1.8
178.06223	24.4
180.08640	2.2
187.11072	1.4
189.05429	2.7
189.12613	1.8
190.06310	1.7
190.12979	1.7
191.07001	44.1
192.07770	2.1
193.08531	26.9
195.10126	2.5
203.06993	1.9
205.08566	19.5
211.09627	1.6
215.10640	2.4
219.06491	43.3
221.08136	1.6
223.09616	83.2
233.08122	4.8
233.11656	2.7
233.15308	2.6
237.07462	2.3
251.09099	17.8
251.12814	1.5
251.16455	2.2
269.10132	100.0
280.19348	1.1
286.12863	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	447.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59855	0.2
61.30126	0.3
71.35207	0.3
85.02891	0.5
117.14255	0.3
124.86740	0.3
130.72398	0.3
132.89082	0.3
147.06544	0.3
159.76929	0.3
256.72256	0.3
315.10452	13.4
317.08411	0.7
370.35040	0.3
447.14636	100.0
448.14969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.3
57.03434	5.6
59.94043	0.3
61.02908	2.8
61.67701	0.4
66.37786	0.3
66.38250	0.4
69.03415	6.8
69.07050	0.8
71.01328	0.5
71.04963	0.5
73.02905	4.6
73.06503	0.5
76.22697	0.4
76.48380	0.4
79.05481	0.6
80.30159	0.4
81.03393	0.8
81.07008	0.6
83.04983	0.5
85.02368	0.7
85.02885	18.7
87.04443	1.0
91.03922	0.6
91.05444	0.5
93.06983	0.8
97.02869	6.8
99.04449	0.6
105.07019	2.2
107.08573	0.7
109.02853	2.0
109.06499	0.5
110.71585	0.5
115.03911	2.1
116.98580	0.6
117.06956	0.6
119.08560	5.3
121.10106	1.9
127.03865	4.2
131.08553	4.3
133.04956	3.8
133.10129	1.7
135.08020	1.0
143.08542	0.7
144.09302	4.2
145.04906	5.9
145.10081	1.8
147.11679	0.6
149.09612	1.0
157.10077	1.7
158.10860	4.0
159.11661	100.0
161.09578	0.5
161.13223	0.7
162.70879	0.4
163.05974	2.4
171.11633	3.0
173.13219	77.2
174.13551	0.5
175.11040	0.5
177.09102	4.7
177.12720	2.8
185.13158	0.5
189.12747	0.8
201.12784	0.8
203.14197	0.5
219.13763	24.1
237.02644	0.5
237.14862	2.7
241.07213	0.6
255.15855	13.8
285.16898	7.0
399.54764	0.5
447.17899	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	446.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82127	0.7
55.05495	1.4
57.07049	3.3
64.34019	0.7
67.05492	0.8
69.07079	0.7
71.04960	3.1
71.08600	4.7
79.05476	8.1
81.07031	5.2
83.08636	1.0
91.05430	3.7
93.07009	3.3
95.08575	1.2
97.26780	0.6
105.07018	9.1
107.08585	15.1
109.10126	1.0
115.60355	0.9
117.06998	3.7
119.08572	0.9
121.06483	2.9
121.10058	0.8
125.09612	4.1
129.06975	0.8
130.07741	1.0
131.08559	8.1
132.74428	0.7
133.10045	2.7
135.11635	0.7
138.52559	0.7
139.67497	0.7
143.08530	0.8
145.10104	100.0
157.10056	1.1
159.11673	14.0
161.09592	4.8
175.11163	1.7
201.16344	48.5
217.15871	1.7
259.16678	7.2
260.16989	7.1
263.03766	0.8
384.38150	1.2
446.41629	3.0
447.34671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89126	0.3
55.01845	0.4
55.05499	1.7
57.07066	3.5
67.05482	0.7
69.07034	0.4
71.04984	2.4
71.08614	4.4
79.05476	6.3
81.07036	5.3
91.05461	2.7
93.07025	1.9
95.08570	0.8
96.26523	0.4
97.10116	0.5
105.07013	7.7
107.08574	13.7
109.10135	0.7
117.07002	2.1
119.08565	2.5
119.26698	0.3
121.06482	3.1
121.10143	0.5
125.09599	5.2
129.06970	0.7
130.07761	2.4
131.08539	8.2
133.06488	0.4
133.10110	2.7
135.08031	2.0
135.11678	0.4
140.27449	0.4
142.07780	0.8
143.08549	1.5
145.10103	100.0
146.07231	1.6
146.10452	0.5
147.07964	0.4
157.10088	1.5
159.08008	0.4
159.11673	12.6
161.09583	11.5
163.12303	0.3
175.11154	4.1
177.08830	0.4
190.55167	0.3
201.16354	44.6
217.15881	2.0
276.46014	0.4
333.71744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13342	0.1
54.81833	0.1
55.25298	0.1
57.03423	0.2
69.03419	0.3
70.06562	0.1
71.04970	0.2
73.02866	0.2
73.06567	0.1
79.05471	0.6
81.07077	0.1
85.02885	1.0
91.05469	0.6
92.08605	0.2
93.07023	0.8
95.04942	0.2
97.02914	0.1
98.97616	0.2
103.05450	4.9
104.23531	0.1
107.04946	1.8
116.98639	0.1
120.08086	100.0
121.06504	0.2
121.08444	0.7
127.03864	0.1
130.58043	0.1
131.04898	2.9
148.07486	0.1
149.05969	1.6
166.08607	26.5
212.77797	0.1
216.34573	0.1
273.89191	0.1
289.57513	0.2
299.93137	0.1
305.36908	0.2
354.61545	0.1
440.42108	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	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68306	1.1
53.03939	2.3
55.01861	5.5
55.05513	9.9
56.96560	22.0
57.03434	9.3
57.73283	1.1
59.05005	1.3
60.65722	1.1
61.02918	13.2
63.72305	1.2
67.05492	18.8
69.03420	17.0
69.07069	10.3
71.04979	6.6
73.02908	6.3
75.04469	6.0
79.05476	19.9
81.03413	9.4
81.07044	36.8
82.07426	1.5
83.04973	10.3
83.08609	6.2
85.02894	30.1
85.06533	2.9
87.04441	1.9
91.03942	6.8
91.05460	22.8
92.08919	2.7
93.07029	88.5
95.04967	16.4
95.08580	30.0
96.08954	1.3
97.02870	13.2
97.06510	5.3
97.10189	2.2
98.97580	6.1
99.04455	2.8
103.30957	1.2
105.07024	43.5
105.07727	1.5
106.07304	1.5
107.08580	36.6
109.06496	15.4
109.10142	15.1
110.10509	1.3
111.08079	11.9
113.05927	1.6
116.98624	3.2
117.07010	3.1
119.08566	51.7
119.09397	2.5
120.70908	1.2
121.05632	1.5
121.06497	45.1
121.10134	47.2
123.08054	27.7
123.11690	6.9
125.06040	4.3
127.03934	2.7
128.98570	2.5
129.05428	2.0
129.07011	2.8
129.67314	1.3
131.08549	13.7
133.06468	1.7
133.10101	31.1
134.99577	2.0
135.08052	12.4
135.11700	9.0
137.05928	1.6
141.09094	2.1
142.07793	2.4
143.08554	9.2
145.05070	2.1
145.10118	11.7
147.08080	6.2
147.11685	32.8
149.05962	5.1
149.09613	11.0
149.13348	1.4
151.07526	100.0
151.11172	1.4
152.07864	19.8
157.10078	14.5
158.99658	1.7
159.11678	6.7
161.01146	2.1
161.09590	12.4
161.13260	6.4
163.14799	14.3
165.06734	1.6
170.99707	1.8
173.09535	2.3
175.07561	8.5
175.11214	20.8
175.14766	24.2
177.00725	1.9
177.12819	1.7
185.04790	2.1
185.13242	13.9
189.00665	1.8
189.04158	1.5
189.09015	1.7
189.12740	2.5
191.10628	5.6
193.12251	7.5
203.05922	2.1
203.14287	41.5
213.12801	9.0
217.07408	1.6
220.06294	1.2
221.15350	18.8
231.13774	47.3
243.08968	2.2
249.14812	28.7
267.09009	17.1
267.15878	56.2
285.10080	37.8
286.10474	2.3
324.11438	7.9
324.61398	2.1
392.19907	1.5
446.17795	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	446.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
54.07749	0.3
55.05495	1.4
57.07068	3.2
57.52040	0.3
67.05487	1.6
68.30099	0.4
69.07051	2.2
71.04963	0.6
71.08621	4.8
78.73400	0.3
79.05465	2.0
81.07038	4.6
83.08606	0.7
91.05465	3.2
93.07052	3.5
95.04964	0.5
95.08584	2.3
97.02879	0.7
97.06498	0.3
99.04458	0.5
103.07525	0.4
105.06355	0.8
105.07023	10.8
107.08556	3.5
109.06499	0.5
109.10168	2.8
111.04443	0.5
113.39674	0.3
117.06991	2.8
119.04910	0.6
119.08582	5.3
119.95827	0.3
121.06503	3.3
121.10159	0.9
123.08055	0.4
126.87083	0.3
127.11198	0.4
128.06181	0.6
129.06943	0.4
130.07755	1.5
131.04880	0.8
131.08557	10.9
133.10100	4.4
135.08018	2.7
135.11681	0.4
142.07777	2.4
143.08572	3.3
145.10114	100.0
146.07242	2.0
147.08049	0.7
147.11676	0.7
149.09541	0.5
153.09084	0.4
157.10129	5.1
159.08064	0.5
159.11664	16.1
161.09587	12.7
165.08978	0.4
175.11151	7.1
201.16370	38.9
217.15863	2.1
226.53102	0.4
275.16135	0.5
276.12097	0.4
314.32260	0.4
351.27063	0.5
369.27875	0.5
445.29324	0.7
446.29507	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	445.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62112	0.8
60.15434	1.0
69.07046	1.0
76.93631	0.9
78.18459	1.0
78.32421	1.1
79.05433	1.1
79.66710	1.1
81.07008	1.4
84.01245	1.0
91.05380	1.1
93.07004	1.7
105.07012	2.0
107.08598	1.5
135.11636	1.1
137.45374	0.9
161.09399	1.5
162.58719	1.0
177.08853	6.0
198.95790	1.1
205.11978	5.1
217.11916	15.3
233.11404	2.6
259.16675	5.9
261.14566	100.0
276.16898	23.9
277.17645	10.3
293.17126	1.9
445.29480	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	445.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26759	0.9
67.25907	1.0
81.07026	1.6
86.09720	1.7
88.27759	1.0
91.05472	1.4
95.08634	1.5
104.66640	0.9
110.80025	0.9
120.38338	1.1
124.92381	1.0
128.70363	0.9
131.08734	1.0
158.26486	1.0
161.09372	1.8
177.08852	5.1
191.10542	1.8
205.11978	8.9
217.11981	11.1
247.13052	1.5
259.16635	4.5
261.14590	100.0
262.55139	1.0
275.16205	1.2
276.16934	17.4
277.17770	8.2
307.18884	1.4
427.28195	1.3
445.29385	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	445.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79207	1.5
55.05527	1.8
56.90295	2.0
57.30632	1.9
62.49827	1.9
62.95641	1.9
65.31554	1.9
79.05499	2.9
80.02384	2.6
81.07064	3.4
91.05482	2.6
93.07036	8.7
102.00960	1.7
105.07025	2.2
107.04795	3.1
107.08565	2.6
124.28049	2.0
134.07021	2.4
147.07889	3.0
165.08969	2.3
177.08824	48.2
189.12578	9.7
192.11238	2.3
193.08391	10.8
193.11963	19.6
209.11510	3.5
215.14041	14.8
229.15556	7.6
245.15150	14.7
247.16661	7.4
249.06996	2.1
259.16797	3.6
261.14496	23.2
275.16159	21.0
276.16977	3.3
277.17770	3.4
288.39365	2.1
309.16840	3.8
393.76920	2.2
399.28705	41.0
445.29166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54905	0.3
55.05500	0.7
57.03410	1.0
61.02917	0.4
66.41328	0.3
69.03409	0.9
69.07088	0.4
71.10989	0.5
72.22292	0.4
73.02881	0.4
73.06527	0.8
81.07048	0.5
83.04965	0.8
84.60686	0.4
85.02867	2.0
89.03841	0.4
91.05450	0.6
93.07018	0.6
95.04947	0.4
95.08555	0.5
97.02884	0.4
100.32423	0.4
102.34936	0.4
105.06998	3.6
107.08567	0.9
109.06499	1.7
115.07484	0.7
116.07893	0.5
118.62450	0.4
119.08528	4.0
121.10122	0.9
127.54778	0.5
131.08528	2.9
133.10088	3.1
135.07985	1.0
142.07758	0.5
144.09297	0.7
145.10106	3.1
147.08072	0.7
147.11656	23.1
156.09322	1.0
157.10094	15.0
159.07951	0.9
159.11650	11.0
160.08777	1.6
161.09477	0.6
161.13203	2.2
163.03868	0.8
163.11188	0.8
171.11646	7.2
172.08800	0.5
173.09541	1.9
173.13234	2.8
175.11139	100.0
176.11545	0.4
183.11685	0.9
187.11140	7.4
189.12700	3.5
193.12013	0.5
200.21684	0.4
201.12688	4.5
205.12187	6.2
205.28152	0.4
217.12178	6.5
219.13797	2.2
223.13402	0.5
229.12192	0.9
234.08012	0.5
235.13210	19.2
247.13223	6.9
253.14279	2.8
255.63705	0.5
265.14230	3.7
283.15320	26.7
445.13766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2064
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.43882	2.0
54.81889	2.4
55.01872	2.4
55.04020	1.9
55.05499	17.5
56.90154	2.0
57.03429	5.5
65.03930	3.1
67.05479	10.8
69.03424	37.3
69.07058	4.3
70.03733	3.0
70.06577	3.1
70.95808	2.3
73.02886	4.6
73.06536	35.4
74.06848	4.1
79.05462	4.5
81.03387	3.6
81.07019	10.7
83.04982	6.3
85.02908	26.6
86.09667	3.1
87.04436	6.0
91.05453	17.3
93.07010	16.5
95.04946	20.5
95.08578	4.1
97.02867	16.9
97.06488	2.8
98.03173	3.2
99.30611	2.3
101.06007	21.0
105.07018	25.7
107.08585	9.9
109.06483	11.5
111.04412	13.6
113.05996	5.8
115.03915	3.8
115.07532	19.7
115.10055	2.5
116.07845	4.1
117.07024	5.5
119.08566	41.1
121.06461	20.7
123.04400	26.8
123.08022	10.5
128.06149	3.7
129.06963	10.3
131.08539	25.2
133.04965	6.1
133.08588	22.9
133.10118	12.1
134.08904	3.9
135.08029	23.8
136.07564	3.9
137.09602	5.5
139.03865	20.9
143.08572	10.9
145.04779	2.6
145.06516	3.0
145.10095	17.5
147.08037	16.3
147.11681	5.3
149.09625	3.7
150.96852	4.9
153.93350	2.5
155.08595	3.3
156.09302	4.8
157.10051	10.2
158.07204	6.0
159.08025	17.2
159.11583	18.4
161.09592	18.0
165.09123	9.3
169.10065	3.7
171.11624	6.0
172.08769	3.8
173.09604	5.2
173.13170	5.3
175.07518	27.1
175.11147	17.4
183.11601	3.3
187.11143	14.0
189.12753	6.1
194.97313	19.7
199.11150	12.3
201.12718	13.9
203.10631	14.7
211.11176	5.8
212.98431	32.2
213.98810	2.9
217.12199	6.3
219.13747	3.3
228.97725	2.8
229.12263	5.9
237.95560	6.4
241.98749	6.1
246.96889	2.4
246.99260	4.7
247.13214	32.3
252.97920	11.6
253.97977	2.5
265.14285	100.0
268.50781	3.0
270.98911	16.8
314.99582	3.5
343.99652	17.4
345.00192	4.9
445.16159	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	444.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01857	2.1
55.05501	5.4
57.03434	1.1
64.41715	0.9
67.05501	7.1
69.03417	4.4
69.07056	2.3
71.04949	3.7
79.05476	11.3
80.05801	1.4
81.07043	20.1
83.04976	8.9
85.02885	1.6
85.06551	1.7
87.04438	2.1
91.05461	21.4
93.07021	23.5
95.04955	7.4
95.08573	19.4
97.06534	4.6
99.04413	2.5
99.08111	1.1
99.62747	1.1
103.05435	1.1
105.07014	30.3
107.04915	1.1
107.08581	14.1
109.06490	22.2
109.10152	5.9
111.04398	2.3
111.08071	2.3
113.09673	1.3
117.07014	5.6
119.08562	100.0
121.06490	2.6
121.10120	24.6
123.08046	13.6
123.11655	4.0
125.05943	1.4
125.09605	2.2
127.07575	1.6
128.06195	2.0
129.06944	2.5
131.08548	10.9
133.06497	1.2
133.10112	20.7
135.08058	2.4
135.11673	8.3
137.09630	10.0
139.07457	1.3
141.09087	4.2
143.08527	15.4
145.06474	1.6
145.10106	11.6
147.08052	9.8
147.11684	4.4
149.09656	2.0
151.07471	3.8
151.11189	2.3
155.08543	5.4
157.10085	8.2
159.08029	2.3
159.10307	1.5
159.11673	9.1
161.09601	22.0
163.07573	5.3
163.11157	1.4
165.09137	5.1
169.10094	4.1
171.08090	1.2
171.11650	10.0
173.13184	1.4
175.11131	2.3
177.12697	1.5
179.10667	6.8
181.10234	1.1
183.11726	1.9
187.14772	1.6
189.09045	6.7
189.12657	1.6
199.11244	1.3
203.10727	1.2
205.12251	2.3
207.10066	1.3
217.12207	4.8
225.16309	5.0
239.17943	5.0
267.17377	11.9
269.18857	1.8
271.16910	2.0
285.18454	28.0
287.19980	6.6
295.16922	2.6
301.05832	1.0
303.19458	16.7
305.21115	4.3
313.18042	13.8
321.20679	2.6
331.18982	25.0
349.19968	16.5
367.21182	6.5
388.64178	1.1
396.48788	1.1
443.57654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59950	0.3
54.89661	0.4
55.05498	0.5
55.48985	0.3
57.03420	0.9
63.34980	0.3
69.03413	3.8
69.07055	3.3
73.02921	0.5
74.69635	0.4
79.05441	0.5
83.04958	0.6
85.02906	2.8
85.03381	0.4
87.04427	1.4
91.05453	0.4
92.08701	0.7
93.07027	0.7
97.02859	1.9
97.06515	0.8
98.97586	0.4
105.07036	4.2
107.08567	1.6
109.06521	2.1
115.03957	0.9
115.07526	3.2
116.07867	0.6
116.98537	0.5
119.08588	5.5
121.06457	0.6
121.10075	0.5
130.16588	0.4
131.08537	2.4
133.04932	0.6
133.08572	1.4
133.10117	3.1
134.08945	0.5
135.08046	1.8
140.06903	0.4
141.07034	0.4
142.07776	1.5
143.08539	0.7
145.06470	0.6
145.10117	3.8
147.08023	1.5
147.11668	22.5
149.09570	0.5
151.07518	0.5
156.09259	0.9
157.10118	13.4
158.10939	0.5
159.07974	0.9
159.11656	11.7
160.08806	1.8
161.09573	1.6
161.13245	1.9
163.03835	0.6
165.09143	0.4
171.11664	8.4
172.08846	0.7
173.09558	2.2
173.13222	2.6
175.11159	100.0
176.11488	0.5
177.09024	0.4
177.12561	0.5
179.10577	0.4
180.53593	0.4
183.11777	0.5
187.11160	8.4
189.12735	3.7
191.10571	0.7
193.12160	0.6
199.11101	0.6
201.12779	3.4
203.25743	0.4
205.12196	6.2
207.13770	0.6
217.12218	7.5
219.13750	2.4
229.12209	2.0
235.10953	0.7
235.13260	17.7
247.13272	4.8
253.14384	2.0
265.14246	4.2
266.10876	0.5
283.15350	25.8
445.13824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83025	0.5
53.03939	0.6
53.52032	0.6
55.01867	8.5
55.05508	29.3
55.93512	0.9
57.03430	16.2
57.84300	0.6
59.04991	10.3
61.02924	8.5
69.03416	17.6
69.07060	1.8
71.01343	1.5
71.04984	3.2
73.02899	22.0
73.06538	47.8
74.57261	0.7
75.17542	0.6
81.03410	3.2
83.04964	13.9
85.02890	38.8
87.04446	6.1
87.08082	4.2
95.08633	0.8
95.50613	0.6
97.02870	24.2
97.03487	1.0
99.04424	1.2
101.06000	100.0
103.03940	1.0
109.02877	1.5
113.09650	1.7
115.03925	8.5
115.07549	59.7
119.07009	0.8
119.51659	0.7
123.04409	3.7
125.06007	0.8
127.03883	6.8
133.04947	8.7
133.08586	65.7
136.07539	2.9
136.17746	0.7
137.07907	1.0
139.03883	5.7
145.04950	7.4
163.03906	1.2
163.05977	2.8
164.07072	0.9
168.83279	0.8
182.36845	0.8
194.97417	8.0
202.10986	0.9
212.98425	13.2
237.95447	1.5
252.97937	5.6
255.38641	0.7
265.00311	1.6
289.03619	0.8
314.99371	0.9
342.99051	5.7
343.99744	1.5
360.99762	1.5
403.01205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
53.03931	1.2
55.01859	1.1
55.05502	1.9
55.62163	0.1
56.53621	0.1
57.03422	0.8
57.07070	1.9
59.04980	0.7
61.02903	1.0
61.25135	0.2
65.03923	0.9
67.05491	2.4
68.99775	0.8
69.03414	10.4
69.07036	0.8
70.06555	0.2
71.04969	0.3
73.02895	0.4
79.05471	3.5
81.03399	1.2
81.07039	4.0
83.04961	12.9
83.08612	0.3
85.02889	6.8
85.06519	1.3
87.04456	0.3
91.03908	0.2
91.05454	4.3
92.09284	0.2
93.03354	1.4
93.07025	8.6
93.07623	0.3
95.04951	3.3
95.08591	1.2
97.02868	4.8
97.06503	0.8
99.04427	0.2
102.05607	0.2
103.05407	0.2
105.07010	5.7
107.04925	0.8
107.08573	14.1
109.02856	12.2
109.06496	9.7
109.10138	1.8
111.04422	4.9
111.08056	1.4
113.05965	1.1
115.05434	1.2
117.06996	4.1
119.04914	0.3
119.06001	0.3
119.08556	11.7
121.02832	1.5
121.06477	24.7
121.10119	3.9
123.04376	0.4
123.08026	2.3
125.05949	0.7
125.09600	0.7
127.03889	1.0
127.07523	0.9
128.06168	1.2
129.06963	2.1
129.99991	0.2
130.07764	0.3
131.08545	9.9
131.09541	0.3
132.05644	0.2
133.06439	0.7
133.10103	6.3
135.08025	34.5
135.11670	1.1
136.08533	0.2
137.05960	3.5
137.09573	2.2
139.03864	0.9
141.06978	0.3
142.07736	1.4
143.08534	3.8
144.05585	0.3
144.09328	3.7
145.05022	0.3
145.06465	5.7
145.10098	6.9
147.08055	2.6
147.11665	0.4
148.08842	0.2
149.05956	2.0
149.09592	11.6
149.13240	0.3
150.10420	1.9
151.07497	1.4
151.11147	2.1
153.06998	0.6
153.09058	2.2
155.08546	2.3
156.09251	0.3
157.06435	0.2
157.10104	3.2
158.07253	0.6
158.10870	7.1
159.02469	0.2
159.08038	6.2
159.11658	18.9
160.08804	1.4
161.05978	0.3
161.09587	3.0
163.07509	17.3
163.11116	3.1
165.09081	1.5
167.08524	0.3
168.09303	1.9
169.10060	1.1
170.10864	3.3
171.07988	1.9
171.11652	0.7
172.08800	6.8
173.05937	1.0
173.09590	13.8
173.13216	31.7
174.06709	0.2
175.07465	0.9
175.11067	1.3
175.14722	0.2
177.09035	0.4
177.12733	1.6
181.06448	0.6
181.08589	0.3
183.11664	5.5
185.09573	1.5
185.13231	2.4
186.10361	11.7
187.07732	1.3
187.11140	54.8
188.08249	0.2
188.11572	1.0
189.09091	1.8
189.12689	0.8
191.06992	10.5
191.14281	0.7
193.10071	1.2
196.08801	3.3
199.07544	0.7
201.12708	39.4
203.10651	5.4
203.14243	2.7
205.12207	10.8
209.08017	1.4
211.11139	7.1
214.09827	1.3
216.63023	0.2
219.13771	8.7
229.12187	38.3
230.12617	0.2
247.13234	100.0
248.13582	1.3
265.14276	13.7
325.35959	0.2
409.18350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.0
55.05506	36.1
57.03434	17.7
59.04984	10.0
61.02911	7.0
67.05532	1.3
69.03417	32.1
69.07051	2.2
71.01308	1.8
73.02906	22.0
73.06539	92.6
81.03410	5.1
83.04961	16.2
85.02895	48.6
87.04460	15.9
91.05448	1.8
97.02880	37.0
98.97554	1.5
99.04417	2.0
101.05999	100.0
103.03942	2.2
105.07006	1.8
109.02877	4.6
115.03905	20.4
115.07550	77.0
123.04387	1.3
124.07565	4.6
127.03881	10.4
133.04959	14.5
133.08585	82.7
135.04446	1.5
135.77109	1.3
136.07510	1.5
137.05942	2.8
137.07910	2.5
139.03874	6.7
145.04958	9.0
159.08037	1.3
163.03896	1.5
163.06023	1.3
164.07011	1.9
165.07362	1.4
187.11168	1.9
194.97470	9.8
212.05916	2.6
212.98430	12.4
240.05362	2.5
252.97835	2.7
258.06488	1.8
265.00287	1.5
342.98959	5.1
343.99686	1.8
360.99677	1.9
404.00461	1.4
405.25763	1.2
427.69690	1.4
448.92102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
67.05495	1.3
69.07059	0.5
71.43480	0.4
72.84535	0.4
74.87334	0.6
77.93749	0.5
79.05463	0.9
79.31959	0.5
81.07050	2.5
83.08615	0.7
87.54806	0.5
91.05476	1.1
93.07046	3.3
95.04936	1.2
95.08591	2.2
105.07014	2.4
106.91712	0.6
107.08588	2.0
108.08949	0.6
109.10136	0.5
119.08565	2.0
132.98404	0.5
133.10144	1.1
135.08113	0.5
135.11688	2.3
142.12086	0.5
142.96341	0.5
144.17984	0.5
157.10124	0.6
177.08791	0.6
192.07538	4.2
207.10219	0.5
215.14169	0.6
219.09914	0.9
273.14734	1.0
274.15405	3.5
275.16119	3.8
291.15622	2.6
292.25516	0.6
357.20422	4.9
371.21945	2.7
387.24911	5.9
425.26477	1.3
443.27628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.3
55.44001	1.1
67.05494	2.0
69.07068	4.7
79.05486	1.9
79.63419	1.0
81.07043	10.1
83.04925	1.5
83.08613	1.7
91.05450	3.7
93.07034	11.7
95.05003	1.2
95.08597	6.6
97.06522	1.1
105.07019	11.4
107.08594	8.7
108.08907	1.2
108.16677	1.0
109.06515	1.1
109.10149	4.4
110.10509	1.2
115.34599	1.1
117.07007	1.7
119.08583	12.6
121.10149	4.2
123.08001	1.3
123.11629	1.1
130.07912	1.0
130.75568	1.0
131.08589	2.2
131.81335	1.1
133.10118	1.6
135.11697	2.2
137.09544	0.9
142.03407	1.0
145.10139	6.3
147.11696	2.3
157.10135	1.8
159.11609	2.0
161.09486	2.1
161.13321	1.5
175.07327	4.3
177.08858	2.0
193.08424	1.1
201.16417	1.7
203.10410	1.6
233.11284	1.2
273.14624	1.4
275.16135	1.9
291.15726	11.9
327.19421	1.4
396.12845	1.3
415.24680	1.8
425.26486	1.6
443.27625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01862	8.3
55.05491	0.6
57.03428	18.6
59.04976	2.2
61.02913	16.9
61.88663	0.4
67.05490	0.5
67.91500	0.5
69.03414	36.9
71.01341	4.0
71.04970	2.4
73.02898	75.0
81.03408	7.4
81.07048	1.0
83.04959	0.6
85.02888	100.0
87.04457	4.9
91.03946	4.6
91.05459	0.7
93.07022	1.9
95.04952	0.6
97.02868	45.9
99.04413	3.8
103.03944	2.0
105.07014	1.0
109.02857	10.4
115.03909	18.5
121.10094	0.6
127.03883	25.2
133.04941	15.1
133.10133	0.5
136.93869	0.5
145.04935	29.8
150.07655	0.8
151.07468	0.5
163.05992	9.4
177.09177	0.7
199.06061	0.5
209.20099	0.5
211.06340	0.5
217.07063	0.6
217.66734	0.4
217.77768	0.4
223.06004	2.9
241.07054	3.2
259.08078	3.6
277.09210	1.8
281.11981	0.5
293.19632	1.0
295.10239	0.9
298.65082	0.5
348.63327	0.6
391.76508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49408	0.7
55.05501	0.9
56.30544	0.6
67.05491	0.9
79.05492	1.3
81.07037	1.8
81.53383	0.7
88.99616	0.7
92.64146	0.8
93.07025	3.1
95.08607	1.0
97.06127	0.7
105.07000	3.6
107.08574	1.8
109.10117	1.1
118.38732	0.7
119.08587	1.3
131.08531	1.0
132.92134	0.7
133.10117	1.4
135.11635	1.0
145.10089	0.9
175.07339	1.0
177.08836	1.4
192.07549	0.9
201.08960	1.2
203.10446	0.9
210.60811	0.8
215.10428	3.7
242.58904	0.8
257.15033	1.1
259.13007	26.0
274.15463	5.5
275.16132	4.7
291.15616	19.3
307.93936	1.1
415.24448	4.1
425.26599	1.8
443.27597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17546	0.4
53.03930	1.0
54.75323	0.4
55.01867	8.4
57.03429	19.4
59.04997	2.3
61.02633	0.9
61.02915	14.8
62.34297	0.5
64.33640	0.5
67.11892	0.5
69.03416	34.2
69.84559	0.5
71.01347	3.0
71.04966	1.4
73.02900	62.0
81.03403	5.7
85.02892	100.0
87.04462	4.5
91.03929	3.6
91.05466	0.6
93.07022	1.1
97.02870	46.0
99.04427	4.7
101.02348	0.7
103.03907	2.1
104.18170	0.6
105.07037	0.7
107.08576	0.8
109.02876	7.5
115.03914	15.5
119.08545	0.6
121.61704	0.6
127.03883	21.4
133.04956	14.2
139.18439	0.6
145.04944	25.0
163.05980	14.5
173.17403	0.7
177.09079	0.6
184.90331	0.6
223.06099	1.1
241.07045	2.6
259.08087	3.7
293.19592	1.1
295.10172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01866	9.2
56.08645	0.3
57.03140	0.7
57.03428	16.7
57.07068	0.8
59.04980	2.0
61.02628	0.7
61.02915	10.7
69.03418	27.6
70.22457	0.4
71.01337	2.5
71.04972	3.3
71.08613	0.7
72.04502	0.5
73.02901	24.8
81.03396	6.8
81.07055	0.4
82.31405	0.4
83.01318	0.5
85.02891	100.0
87.04462	3.5
91.03951	3.3
91.04447	0.4
91.05421	0.5
95.04983	0.8
97.02872	30.9
99.04437	5.1
103.03942	1.6
105.55858	0.4
109.02872	7.8
115.03912	8.5
127.03891	21.2
132.06554	0.8
133.04948	9.8
145.04939	28.0
150.07594	0.7
163.05989	12.9
181.06731	0.4
193.04895	0.4
199.11182	0.5
223.05936	1.4
241.07045	0.9
245.11761	0.5
259.08038	1.4
263.12799	0.8
293.19580	1.8
323.56772	0.5
410.57803	0.5
442.25000	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
53.80245	0.4
54.81409	0.4
55.01868	7.8
55.91927	0.3
57.03433	19.5
57.07070	0.7
58.65312	0.3
59.04997	1.8
60.81752	0.3
61.02919	11.9
61.52999	0.4
68.68643	0.4
69.03421	28.1
71.01341	4.0
71.04980	2.9
71.08624	0.9
72.04496	0.6
73.02901	27.5
77.96645	0.4
81.03401	7.4
81.07035	0.6
83.01331	0.4
83.04974	0.5
85.02895	100.0
87.04443	3.5
91.03929	3.9
92.08614	0.6
97.02879	31.7
99.04440	4.4
101.02379	0.7
103.03928	2.5
105.07003	0.6
109.02874	8.7
115.03917	10.6
119.08537	0.6
123.08063	0.4
127.03906	20.9
132.06560	1.7
133.04956	10.6
133.10167	0.5
145.04945	31.5
149.09724	0.4
150.07611	2.2
163.06000	13.8
163.07356	0.7
223.06042	0.8
241.06996	1.7
245.11761	0.4
259.08069	1.3
263.12997	0.5
293.19562	2.4
326.41263	0.4
442.25156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48045	0.5
55.01863	1.2
55.05496	0.8
57.03426	4.5
61.02904	0.6
67.05489	4.2
69.03425	5.9
69.07051	1.0
71.04968	5.6
73.02892	3.3
79.05479	6.5
81.07037	3.1
83.04986	0.9
85.02908	6.9
85.10163	0.8
85.51172	0.5
91.05442	4.9
92.09360	1.1
93.07047	4.4
94.04179	0.8
95.04948	5.0
95.08589	6.7
97.02848	5.3
97.06519	0.7
99.04436	1.3
103.05466	0.9
105.07023	1.5
107.04925	4.7
107.08577	3.7
109.02844	0.8
109.06510	0.8
110.06062	0.6
111.04433	1.0
113.09624	6.1
115.03881	1.4
117.06998	0.8
119.04923	2.9
119.08561	3.0
121.06504	3.6
121.10126	9.2
122.03632	5.9
123.04409	6.9
123.11711	0.7
124.05182	1.3
125.05956	1.0
127.03925	1.2
129.06982	1.2
131.04935	3.3
131.08554	7.9
131.10663	8.6
133.04979	1.2
135.11659	1.1
135.59015	0.6
137.05957	100.0
139.07591	0.7
140.04652	9.6
145.04941	1.4
145.10100	5.2
147.04390	3.1
147.08072	0.8
147.11691	3.0
149.05946	3.0
149.09612	2.9
151.03893	0.7
151.07504	4.7
153.05440	3.0
153.06941	1.4
155.07236	4.9
155.08353	5.3
161.05997	1.5
163.07527	3.4
163.11180	4.0
165.05652	0.7
165.06993	3.7
165.12753	2.2
167.07002	53.6
167.10617	1.0
173.09544	7.5
179.07002	0.8
181.06476	1.1
181.12222	3.9
183.08025	6.3
185.11641	1.1
191.10617	10.7
193.06464	1.0
196.05241	0.8
198.06693	0.7
199.07484	2.4
201.09137	0.7
207.04402	0.9
209.05894	2.4
209.11751	1.4
211.07474	6.3
213.05339	0.8
213.09189	0.8
225.09218	1.3
227.06970	4.9
227.12744	12.3
228.07816	0.8
237.05507	1.2
239.06967	2.3
241.04868	1.0
241.08601	1.2
243.10106	7.1
245.13754	4.7
255.06499	3.8
255.09984	0.7
257.08109	0.9
269.08011	0.8
271.09567	9.8
271.11972	0.8
272.10419	1.0
273.07666	0.7
275.25128	0.7
283.09500	1.0
287.19882	0.6
288.09866	44.0
301.10721	4.7
302.11441	22.7
303.12195	32.4
315.12259	0.9
377.11282	1.0
377.15948	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.00285	1.8
53.16873	1.5
54.82161	1.7
55.01876	2.4
55.05507	20.0
55.93841	1.7
57.07069	9.0
67.05501	30.6
69.07056	37.1
70.44569	1.8
79.05480	30.2
81.07041	100.0
83.04973	2.7
83.08602	18.2
86.66610	1.7
91.05467	25.8
93.07027	79.7
95.04938	4.3
95.08592	77.0
97.06500	2.6
97.10155	4.0
105.07014	90.2
107.08585	75.3
109.06506	4.2
109.10152	51.5
111.08052	3.0
111.11703	1.8
117.07000	10.1
119.08567	91.9
121.06482	2.8
121.10126	62.7
123.08087	3.5
123.11676	23.1
131.08560	25.0
133.10118	48.2
135.07957	2.4
135.11691	38.9
135.13887	2.4
137.13199	6.7
143.08556	12.0
145.10115	27.1
147.11674	48.5
149.09717	2.6
149.13223	16.5
151.11185	4.2
155.08548	3.4
156.09351	2.3
157.10103	12.1
159.11697	21.8
161.13239	30.8
163.14772	3.2
169.10124	7.9
171.11687	10.4
173.13258	9.8
175.14861	14.5
177.16380	29.0
185.13263	7.7
187.14812	8.9
189.16374	11.8
191.14267	2.8
191.17952	3.0
193.15831	2.1
195.17525	2.1
197.13271	3.6
199.14845	8.6
201.16389	15.9
203.17950	48.3
205.15912	2.6
205.19554	3.2
209.13289	2.6
211.14857	7.9
212.15660	2.4
215.17966	8.5
217.15930	2.1
217.19579	12.0
219.17369	2.1
221.15321	2.3
221.19046	2.5
225.16377	3.4
229.19408	2.7
253.19594	2.6
255.21072	3.1
267.21057	3.5
269.22647	3.3
279.20920	2.2
281.22559	3.5
285.25711	2.3
293.22723	2.8
337.28845	8.4
405.35098	23.1
423.36230	21.6
441.37286	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	442.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48167	0.9
53.03925	1.1
55.01863	1.4
55.05499	1.4
57.03430	14.2
59.04998	1.2
60.08739	0.9
61.02917	6.7
67.05496	11.9
67.93748	1.2
69.03411	27.1
69.07053	9.2
70.07363	1.3
71.01324	1.2
71.04959	5.4
73.02903	22.9
74.09680	1.9
81.03397	7.8
83.04977	2.2
85.02892	40.1
85.06537	7.0
86.46078	1.0
87.04441	2.8
93.07058	1.6
95.04956	22.9
95.08579	1.8
97.02262	2.1
97.02871	46.6
99.04441	4.8
101.04211	1.8
103.03905	4.6
105.07056	1.5
107.04952	1.5
109.02877	5.9
113.05986	100.0
115.03904	16.5
115.19986	1.1
121.06493	1.6
127.03898	15.4
131.04887	1.4
131.07018	62.0
132.10103	1.3
133.04907	1.5
135.04453	2.0
140.07074	1.5
145.04936	8.8
163.03885	9.2
163.05948	2.2
170.06482	1.2
172.04279	1.7
173.04529	1.5
185.29926	1.2
198.12654	1.2
216.06792	4.8
217.07175	2.2
225.75079	1.1
227.09117	9.4
259.08276	1.6
262.07388	2.7
263.07846	1.8
263.11237	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	442.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12475	0.5
53.03937	0.8
55.01860	4.0
57.03426	7.6
57.07066	8.6
57.99168	0.4
59.04963	1.0
61.02916	5.0
63.37865	0.4
67.05201	0.6
67.05492	10.9
69.03411	11.0
69.07045	1.1
71.01334	0.9
71.04980	5.2
71.51006	0.5
73.02900	6.3
76.55548	0.5
81.03400	2.8
85.02886	46.4
85.06515	7.1
87.04423	2.2
91.03934	2.4
95.04939	23.2
97.02264	0.7
97.02870	14.0
99.04404	1.1
103.90887	0.5
109.02860	5.0
113.05981	45.9
115.03910	2.9
127.03903	8.1
131.07010	100.0
133.04942	1.8
145.04927	10.8
150.07593	0.6
150.33418	0.5
163.05939	4.6
186.41483	0.5
186.76506	0.5
203.57840	0.6
293.12195	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05502	6.1
60.22683	5.4
67.05494	26.3
69.07059	32.1
79.05510	9.7
81.07057	69.9
83.08626	8.4
91.05466	28.3
93.06992	48.0
93.49363	6.7
95.08576	48.5
105.07022	100.0
105.43846	8.2
107.08611	56.8
107.09185	8.0
109.10156	45.4
117.07082	8.4
119.08582	75.5
121.10135	61.8
123.11646	9.0
131.08568	11.4
133.10156	52.5
135.11707	29.7
145.10110	31.8
147.11690	53.3
149.13196	22.4
159.11757	13.4
161.13281	35.8
165.09050	12.0
173.13281	7.1
177.16307	27.0
187.14720	12.7
189.16408	8.1
201.16389	13.0
203.17960	61.6
215.17868	11.2
217.19444	52.1
346.82004	8.4
358.09695	7.7
377.77133	7.0
404.12753	7.4
405.35190	8.3
423.35864	35.0
441.32443	13.5
441.37912	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.5
55.91043	4.3
57.03383	4.2
57.07062	6.1
67.05488	30.9
69.07051	44.8
71.04971	5.9
79.05473	25.8
81.07043	83.6
83.08619	9.8
88.91174	5.6
91.05452	33.7
91.12609	6.6
92.09308	11.7
93.07024	100.0
95.04960	8.7
95.08595	73.3
97.10133	5.3
105.07017	77.1
107.08574	80.7
109.10126	45.1
119.08548	89.6
121.10117	74.4
123.08047	6.6
123.11669	29.1
131.08551	21.3
133.10103	38.6
135.11662	53.9
140.00012	5.8
143.08548	7.0
145.10107	34.7
147.11653	39.7
149.13242	19.9
151.11171	5.8
159.11674	34.0
161.13260	33.3
163.11113	8.2
173.13231	12.4
175.14813	30.6
177.16371	21.7
187.14825	6.6
191.17888	39.4
197.03835	6.1
201.16364	18.6
203.17937	23.9
205.15836	8.5
215.17903	22.6
217.19402	10.1
219.17366	29.0
229.19478	19.1
233.18980	18.8
340.89001	5.7
358.61789	6.6
405.35217	10.6
423.35773	10.1
441.36267	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77374	3.1
55.05497	23.9
57.07063	16.7
67.05483	24.2
67.68844	3.6
69.07065	50.5
70.47636	3.5
71.04971	8.5
79.05469	20.4
79.91902	4.4
81.07037	82.9
83.08614	9.2
85.06556	4.9
90.20683	4.0
91.05453	30.8
92.09348	9.3
93.06484	6.5
93.07034	100.0
95.04939	5.9
95.08591	71.1
97.10181	4.9
101.84677	4.8
105.07020	82.1
105.90048	4.1
107.08585	85.9
109.06480	6.6
109.10131	51.9
112.74553	5.1
117.06998	7.1
119.08557	92.8
121.10126	73.4
123.11667	17.1
127.24280	4.1
131.08537	19.9
133.10115	46.0
135.08026	17.3
135.11693	40.2
137.09584	5.0
137.13220	7.6
143.08565	4.6
145.10107	28.6
147.11682	48.5
149.13255	37.5
157.10075	6.3
159.11610	31.7
161.13268	31.9
163.11206	5.6
163.14792	5.1
163.45590	3.9
169.10097	5.7
171.11609	5.3
173.13219	16.2
175.14825	36.9
177.16347	37.9
191.17920	8.3
201.16341	19.9
203.17937	26.1
205.19336	4.5
207.50992	4.8
213.16452	4.3
215.17911	20.2
219.17438	23.3
229.19501	6.8
376.27411	4.7
405.35025	5.2
423.36234	10.1
441.37299	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.1
64.06503	0.1
65.84641	0.1
73.93882	0.1
97.47990	0.1
98.97559	0.2
105.06996	0.5
112.74455	0.1
115.05441	1.9
117.05756	0.9
130.06567	0.1
132.08064	4.1
133.06465	0.9
142.06477	0.9
143.07312	0.1
159.06749	0.2
160.07550	100.0
161.07874	0.7
177.10193	8.6
201.19371	0.1
248.10225	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	441.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
55.05505	7.5
57.03436	8.5
57.07083	0.9
61.02917	5.2
64.67293	0.8
66.24108	0.7
67.05485	3.2
69.03415	14.0
69.07055	100.0
70.07399	1.0
71.01345	1.4
71.04980	1.7
73.02892	9.3
81.03410	4.0
81.07047	4.7
83.04996	1.1
85.02892	42.9
85.06536	1.5
87.04445	1.2
93.07030	3.4
95.08543	0.9
97.02872	17.1
97.06528	0.9
99.04436	1.9
103.03919	0.8
105.07034	1.4
107.08618	1.0
109.02855	1.8
109.10178	3.2
111.08080	3.5
111.11694	32.7
115.03947	4.3
118.15208	0.8
119.08540	1.0
121.06431	0.9
121.10081	1.1
123.11629	1.2
127.03890	7.7
129.05338	1.0
129.11771	1.2
129.12733	35.6
131.08559	1.1
132.08371	0.8
133.04959	6.4
133.10132	1.1
141.12737	3.6
145.04982	5.0
163.06015	1.8
163.11156	0.8
164.64586	0.9
165.47198	0.8
168.28133	0.8
175.92783	0.8
179.10689	0.9
207.13799	0.8
237.14832	3.0
255.15938	1.3
259.08167	1.1
273.17029	6.0
291.17929	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41764	2.4
53.50105	2.5
53.51322	2.4
55.05511	22.5
57.07072	5.3
60.95665	2.9
63.97995	2.5
67.05501	33.5
69.07065	39.5
70.07406	3.2
71.04973	5.1
76.69418	2.6
79.05466	24.4
79.27731	3.0
81.07045	74.3
82.07367	4.2
83.04990	4.6
83.08615	23.2
85.06556	14.7
91.05466	33.3
91.23465	3.4
93.07032	71.0
95.04942	4.8
95.08596	63.0
105.07027	86.0
107.08580	69.0
108.08962	4.8
109.06524	4.5
109.10157	52.4
109.71197	3.4
113.09667	3.5
117.07027	18.5
119.08575	76.0
121.06504	3.5
121.10120	47.6
123.08045	3.9
123.11716	15.4
127.72363	3.2
131.08560	25.4
133.10106	52.3
135.08040	3.4
135.11687	29.3
137.09523	3.0
142.07825	3.9
143.08553	6.2
145.10117	100.0
147.11676	49.0
149.09628	4.2
149.13261	20.9
150.11940	3.1
157.10152	4.6
159.11671	41.4
161.13245	35.1
163.11121	4.4
163.14877	10.9
173.13245	7.3
175.14761	25.8
177.16371	5.8
185.13185	3.3
187.14757	24.9
189.16444	6.8
199.14943	4.4
201.16304	35.1
203.17943	18.9
205.15820	7.5
209.05890	3.5
217.19405	6.9
219.17474	18.6
223.14583	3.7
237.18578	4.8
423.36536	9.7
441.25540	12.0
441.37207	16.3
456.07178	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.83994	2.4
55.05505	11.6
55.39041	2.4
57.07063	7.3
67.05486	21.2
69.07051	44.0
76.56133	3.0
76.57153	3.3
79.05482	17.5
81.07034	52.7
83.08613	13.5
91.05455	27.8
93.07018	42.8
95.08582	69.0
97.10168	3.6
105.07011	81.1
105.07661	5.0
107.08566	63.9
109.06525	3.1
109.10123	46.5
109.10772	3.7
117.07002	6.4
119.08555	100.0
121.06433	3.4
121.10123	49.8
123.11674	20.4
131.08542	19.9
133.10103	48.5
135.11658	26.5
137.09554	3.0
137.13278	5.7
143.08533	3.5
145.10089	40.3
147.11682	49.6
149.13214	20.8
149.37837	3.1
157.10132	5.4
158.28819	2.8
159.11670	19.2
161.13214	38.9
163.14789	4.1
173.13251	6.6
175.14804	19.6
177.16350	13.5
187.14790	6.1
188.37555	2.8
189.16353	5.3
191.17966	6.3
193.15924	4.4
197.13184	3.2
201.16440	21.8
203.17921	60.8
205.15860	3.2
205.19446	3.6
215.17998	5.1
217.19493	63.0
219.17499	3.3
244.85173	3.9
255.67992	3.8
405.34940	17.1
423.36234	46.5
441.37067	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57798	0.4
52.79581	0.5
53.03941	0.9
55.01854	3.2
57.03427	6.7
61.02917	15.8
63.79176	0.5
67.64099	0.5
69.03416	20.3
69.77248	0.4
71.04974	2.9
72.08154	0.7
73.02908	6.3
78.43542	0.5
81.03413	6.7
83.04967	0.6
84.04472	1.1
85.02892	88.6
87.04458	1.3
91.03932	14.1
93.05804	0.6
97.02873	35.9
98.98449	100.0
99.04436	5.8
99.98920	0.6
101.02377	1.3
109.02871	10.9
110.64219	0.5
112.99980	0.7
113.06000	0.6
115.03899	2.2
116.98650	0.9
116.99494	3.1
119.06380	0.6
127.03897	31.4
128.98561	0.7
131.07045	0.9
137.10564	0.5
145.04948	27.9
148.06096	0.5
156.48647	0.5
163.05989	16.0
177.00571	0.5
201.00589	1.1
217.06877	1.0
219.01761	0.6
221.19469	0.6
225.01598	5.4
247.04213	3.1
261.03638	15.8
279.04233	0.6
311.11789	0.7
441.09396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
63.09661	0.3
83.01092	0.7
93.07037	0.5
95.01073	2.1
96.01835	0.7
105.07040	0.4
113.02126	2.3
119.08599	0.5
120.08115	0.7
126.02881	0.5
126.31843	0.4
127.03854	0.3
133.10118	0.7
146.00693	0.4
149.19910	0.3
151.07492	0.4
157.04742	0.4
185.04190	5.0
200.79634	0.4
201.03680	1.4
203.05252	0.5
204.07550	3.4
243.08438	0.6
259.07877	0.4
279.12109	0.4
279.90759	0.4
434.50018	0.5
441.17252	100.0
442.17535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.04586	0.6
55.01841	0.9
55.05500	8.6
56.05833	0.7
57.03432	1.2
57.07063	3.4
59.04992	1.1
67.05492	8.8
69.03418	0.9
69.07055	17.4
71.04965	5.2
73.01102	0.7
78.89750	0.8
79.05471	12.4
80.65420	0.8
81.07040	100.0
82.07351	1.4
83.04946	4.0
83.08591	5.9
85.06523	6.6
87.80360	0.7
89.06004	3.5
91.05457	16.4
92.08662	0.9
93.07018	30.4
95.04945	6.7
95.08578	23.2
97.06498	3.9
98.86146	0.8
101.08826	0.9
105.07020	12.9
107.08587	29.1
109.06495	3.5
109.10141	8.2
111.08041	1.4
117.06956	1.5
119.08569	11.4
120.08746	0.8
121.06492	1.3
121.10117	13.9
123.08079	1.6
123.11670	5.1
125.09587	1.4
131.08553	5.2
133.08591	1.1
133.10115	6.0
134.10912	0.8
135.08058	0.8
135.11635	8.7
137.09570	1.6
137.13225	14.1
138.20882	0.8
145.10060	3.8
146.10527	0.9
147.11656	3.6
149.13235	13.0
151.11089	1.1
153.12691	1.1
157.10049	1.2
159.11705	6.1
161.09564	0.8
161.13205	1.7
163.11180	1.4
175.14885	1.2
177.12691	1.7
189.69020	1.0
201.16403	2.0
203.17880	3.5
219.17409	1.6
234.15796	0.9
237.18399	4.1
239.15067	0.9
240.15289	1.8
364.14709	0.9
386.27243	1.0
386.32608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
54.81853	3.5
55.05506	47.2
57.03415	2.9
57.07064	3.3
57.98952	2.3
60.68546	2.4
66.18052	2.3
67.05493	30.0
69.07057	23.6
71.04959	18.3
79.05473	21.1
80.68230	2.3
81.07036	60.1
83.08602	100.0
85.06499	2.4
91.05460	32.1
93.07018	85.7
95.04921	9.8
95.08586	52.5
105.07004	72.6
107.08578	59.0
108.09332	11.6
109.06488	12.6
109.10135	35.4
117.06957	8.5
119.08562	60.8
121.06469	3.9
121.10129	27.7
123.08003	10.5
123.11646	13.0
125.09595	3.6
127.42660	2.9
131.08557	16.0
133.10104	42.5
133.35510	2.8
134.10870	13.1
135.08034	10.5
135.11649	46.1
136.12447	9.7
137.09608	4.3
144.75505	2.9
145.10100	15.8
147.11653	58.4
148.87274	2.6
149.09575	4.0
149.13237	58.8
157.10124	4.6
159.11668	19.2
161.13216	18.4
163.14732	3.1
165.12723	16.1
175.14740	6.4
176.11964	3.2
176.15535	5.1
177.12741	55.7
177.16357	6.6
178.13390	2.9
178.17140	11.4
190.17195	3.5
191.17838	4.4
193.12169	26.1
201.16312	5.7
203.17932	84.2
219.17320	3.1
220.18214	25.4
237.18410	15.0
353.89639	3.0
444.61798	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	440.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.41164	0.5
55.05505	5.3
57.03425	0.6
57.07052	2.5
57.38343	0.5
65.03912	0.6
66.15987	0.6
67.05491	8.9
69.07058	15.3
71.04978	4.5
71.20078	0.5
74.71909	0.5
79.05477	9.8
81.07040	100.0
83.04954	2.4
83.08611	3.4
85.06532	5.2
91.05460	10.4
93.07027	25.7
95.04949	5.3
95.08585	13.8
97.06503	2.2
105.04486	0.5
105.07027	7.3
107.08581	24.6
109.06504	2.6
109.10143	3.5
111.08025	0.7
112.25677	0.5
116.04897	0.5
118.16280	0.5
119.08571	2.9
121.06500	0.6
121.10143	9.7
123.08011	0.6
123.11701	1.1
125.09595	1.1
133.10120	3.0
135.11670	4.6
137.13245	15.6
143.08528	0.6
145.10133	1.4
147.11710	1.1
149.13235	14.5
151.11191	0.6
157.10043	0.6
159.11606	0.7
161.13203	0.6
195.13763	0.7
219.17392	0.9
232.49464	0.6
269.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
54.81139	2.1
55.01863	10.3
55.05508	21.5
57.07069	4.1
57.53909	1.8
67.05496	28.0
69.03407	2.4
69.07056	21.7
71.04980	14.2
77.03941	2.1
79.05477	26.3
81.07040	66.0
83.04970	2.6
83.08610	28.3
85.06522	10.9
91.05462	35.2
93.07026	100.0
94.07375	3.3
95.04955	24.5
95.08595	38.9
97.06524	8.4
97.10149	2.3
99.08077	3.1
105.04486	2.6
105.07017	54.6
107.08584	56.9
109.06504	5.1
109.10144	48.3
111.08036	14.2
114.35771	1.9
117.06978	3.2
119.08561	42.6
121.10132	26.6
123.08076	7.8
123.11682	9.5
125.09658	5.0
127.11167	10.0
131.08549	9.9
133.10106	19.9
134.08031	2.2
135.08069	2.8
135.11667	29.8
137.09593	3.5
139.07503	7.6
139.11201	2.3
145.10097	29.8
147.11635	14.7
149.13254	4.5
151.11201	2.9
153.12737	2.3
159.11681	28.2
161.13237	48.7
163.11198	3.3
173.13216	4.6
175.14822	9.9
177.12794	3.7
191.14230	2.0
195.13780	8.5
199.34634	2.1
201.16322	24.2
203.17993	3.4
208.18196	2.4
219.17346	39.3
235.16850	3.7
237.18390	20.3
441.25705	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	440.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15161	1.3
53.03924	3.1
55.05498	10.8
57.03415	2.8
57.07058	8.0
58.44025	1.4
59.04988	7.3
67.05492	33.2
69.03408	2.2
69.07059	53.7
69.92305	1.4
71.04601	3.1
71.04974	49.5
79.05479	76.7
81.06598	3.2
81.07042	58.6
83.04968	2.5
83.08604	12.3
83.75641	1.9
85.06525	76.0
87.22604	1.8
91.05466	44.0
93.07024	100.0
94.07803	1.9
95.04942	12.2
95.08590	20.4
97.06512	8.0
102.37991	1.6
103.06129	1.7
105.07013	32.2
107.08580	92.6
109.06496	7.7
109.10149	10.2
117.07037	1.8
119.08543	15.1
121.10109	37.3
123.08067	3.5
123.11687	13.8
125.13248	1.7
131.08514	8.3
133.10123	13.0
135.11670	45.6
137.09569	4.1
143.08577	2.4
145.10120	11.4
147.11685	4.0
149.13245	46.8
151.11224	7.0
157.10234	1.8
159.11691	12.5
161.13223	2.3
162.50276	1.7
163.11151	1.8
165.12764	19.7
169.12242	3.3
172.50142	1.9
173.13216	2.1
173.43221	2.3
180.17894	1.7
181.49617	1.8
189.16411	2.5
201.16356	1.9
219.17511	2.0
253.76019	1.9
290.98566	1.7
409.96201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16923	1.6
53.03937	2.7
54.59130	1.4
55.01848	1.6
55.05505	39.1
57.03410	2.3
57.07061	2.6
63.20901	1.4
67.05489	20.5
69.03397	2.2
69.07054	20.2
71.04958	17.1
76.46740	1.8
79.05479	13.3
79.05843	1.5
81.06595	2.9
81.07038	55.4
83.08605	100.0
85.06510	4.3
88.43327	1.6
91.05460	32.7
93.07022	66.7
95.04954	13.6
95.08580	38.0
105.04469	2.6
105.07016	62.2
107.08582	60.9
108.09357	10.2
109.06484	7.5
109.10139	27.5
111.08069	3.1
117.06975	10.2
119.08561	56.5
121.06469	8.8
121.10134	28.7
123.08055	8.4
123.11671	16.8
131.08551	12.7
133.10123	32.8
134.10869	8.5
135.08017	10.0
135.11690	38.0
136.12427	10.1
137.09566	2.9
137.13242	2.0
142.07790	2.3
145.10139	12.1
147.11674	60.9
149.09592	4.2
149.13240	63.1
149.67200	1.6
151.84532	1.7
157.10097	10.9
159.11682	16.7
161.13188	12.0
163.11198	2.3
163.14821	2.1
165.12703	11.6
173.13219	2.4
175.11203	7.1
175.14720	8.1
176.11963	8.2
176.15501	3.8
177.12698	44.6
177.16301	3.4
178.17140	12.4
190.17117	3.4
191.17900	7.9
193.12253	24.7
200.23634	1.8
201.16408	3.0
203.17920	75.8
219.17461	2.5
220.18214	27.7
234.95482	1.8
237.18497	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	440.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.05504	24.7
56.96592	1.5
57.03442	2.9
57.07069	9.0
59.04993	3.9
64.65320	1.5
65.03921	2.5
67.05493	35.0
69.03419	3.7
69.07062	39.7
71.04980	20.5
73.06552	1.8
74.18153	1.5
79.05478	56.7
79.05903	3.4
81.07041	58.9
82.38297	1.4
83.04968	9.9
83.08585	3.1
85.06534	36.1
91.05462	40.4
92.09296	2.1
93.07027	100.0
93.84462	1.7
95.04971	18.4
95.08590	34.8
97.06512	10.3
99.08101	11.2
101.05999	2.1
101.92571	1.6
105.04523	1.6
105.07018	40.2
107.08589	84.7
107.09303	3.3
109.06482	13.2
109.10137	28.1
111.08060	6.5
117.07006	8.0
119.08582	25.5
121.06528	2.7
121.10114	24.3
123.08073	14.7
123.11681	13.3
127.07612	2.7
130.07816	1.9
131.08556	9.6
133.10110	25.3
135.08037	6.6
135.11678	72.3
137.09631	3.7
139.11220	1.8
141.09088	11.4
142.07764	1.7
143.08533	2.0
144.22903	1.8
145.10129	34.3
147.11705	7.4
149.09677	1.8
149.13255	13.3
151.07591	1.7
151.11171	10.6
153.12766	2.9
157.10072	2.2
159.11679	17.0
161.09506	1.8
161.13351	2.1
163.11172	3.6
169.08601	2.0
175.14804	3.4
177.61166	1.8
191.14450	1.7
191.17949	8.3
201.16396	17.4
203.17981	2.1
219.17397	35.9
237.18491	10.4
241.03894	2.4
285.84064	1.9
405.26389	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.7
55.05508	11.5
55.94898	1.1
56.96550	1.6
57.03432	19.3
59.04993	5.0
61.02904	9.3
67.05495	3.9
69.03418	22.9
69.07056	100.0
71.01341	1.9
71.04980	2.3
73.02899	17.4
79.05476	1.9
81.03409	4.8
81.07042	9.0
83.04964	2.1
83.08630	1.5
85.02895	63.0
87.04421	2.6
91.03888	1.0
91.05476	4.4
93.07037	8.5
95.08575	2.4
97.02873	24.6
97.06512	1.7
98.13027	1.2
98.97558	4.6
99.04454	2.3
103.03950	2.0
105.06998	4.5
107.08585	7.3
109.02867	6.5
109.06523	1.6
109.10150	5.2
109.77963	1.1
111.08050	4.7
111.11710	29.1
115.03916	11.2
116.98601	2.5
119.08563	2.1
121.10136	2.6
123.11691	4.4
125.09624	1.4
127.02223	1.0
127.03896	12.6
127.11174	1.8
129.12732	25.8
133.04945	13.9
133.10120	2.2
134.99673	2.4
135.11736	1.8
137.09637	1.2
139.11171	1.4
141.12738	6.7
145.04967	8.3
147.11703	1.7
163.05975	2.4
171.11708	1.0
207.17578	1.5
219.13745	1.1
225.18372	1.5
243.19559	2.0
248.72357	1.2
255.16008	1.9
270.10760	1.7
273.16782	2.5
279.15750	1.4
287.11761	2.2
289.21375	1.1
291.17938	2.1
421.76385	1.5
440.23465	8.9
441.20303	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.92739	0.8
54.93007	0.7
55.01871	7.9
55.05502	1.1
56.96568	0.8
57.03428	13.8
59.04991	1.6
61.02911	14.7
62.26458	0.8
67.05484	1.1
69.03414	31.9
69.07056	4.7
71.01341	1.6
71.04960	1.7
73.02899	45.1
76.55982	0.8
79.05481	1.2
81.03392	8.2
81.07039	1.6
83.04954	1.3
85.02892	100.0
85.14671	0.8
87.04449	5.1
91.03934	4.5
91.05457	7.9
92.08674	1.0
92.09167	2.6
93.07014	0.8
96.28907	0.9
97.02876	35.3
97.03493	1.2
99.04426	3.6
103.03931	1.2
105.07005	1.2
107.04971	1.1
109.02866	9.2
110.72723	0.7
115.03917	12.5
119.04937	5.6
127.03898	20.9
133.04945	13.1
137.05971	19.2
145.04939	26.7
147.04349	0.9
150.07547	1.4
151.07538	12.8
163.06027	9.1
169.24103	0.9
192.97440	0.8
241.07005	1.3
259.08112	1.5
261.11234	5.2
315.13327	1.7
337.82803	0.8
439.22894	2.1
440.23276	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.7
55.05508	11.5
55.94898	1.1
56.96550	1.6
57.03432	19.3
59.04993	5.0
61.02904	9.3
67.05495	3.9
69.03418	22.9
69.07056	100.0
71.01341	1.9
71.04980	2.3
73.02899	17.4
79.05476	1.9
81.03409	4.8
81.07042	9.0
83.04964	2.1
83.08630	1.5
85.02895	63.0
87.04421	2.6
91.03888	1.0
91.05476	4.4
93.07037	8.5
95.08575	2.4
97.02873	24.6
97.06512	1.7
98.13027	1.2
98.97558	4.6
99.04454	2.3
103.03950	2.0
105.06998	4.5
107.08585	7.3
109.02867	6.5
109.06523	1.6
109.10150	5.2
109.77963	1.1
111.08050	4.7
111.11710	29.1
115.03916	11.2
116.98601	2.5
119.08563	2.1
121.10136	2.6
123.11691	4.4
125.09624	1.4
127.02223	1.0
127.03896	12.6
127.11174	1.8
129.12732	25.8
133.04945	13.9
133.10120	2.2
134.99673	2.4
135.11736	1.8
137.09637	1.2
139.11171	1.4
141.12738	6.7
145.04967	8.3
147.11703	1.7
163.05975	2.4
171.11708	1.0
207.17578	1.5
219.13745	1.1
225.18372	1.5
243.19559	2.0
248.72357	1.2
255.16008	1.9
270.10760	1.7
273.16782	2.5
279.15750	1.4
287.11761	2.2
289.21375	1.1
291.17938	2.1
421.76385	1.5
440.23465	8.9
441.20303	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
69.03399	0.5
69.07053	0.3
70.06547	0.4
71.05005	0.3
72.43255	0.3
73.02902	0.4
83.04943	0.3
85.02882	1.7
85.06541	0.4
86.09692	100.0
87.10027	0.6
93.59744	0.3
97.02882	0.7
103.03959	1.2
127.07549	0.3
129.05469	0.4
129.22614	0.3
132.10182	38.5
139.03880	0.3
144.10225	0.5
145.08582	0.6
146.09030	0.3
147.06584	0.4
150.11937	0.3
164.06725	0.3
176.09178	0.5
180.48174	0.3
182.52986	0.3
219.01814	0.5
237.02780	0.4
314.34863	0.3
342.76971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.92739	0.8
54.93007	0.7
55.01871	7.9
55.05502	1.1
56.96568	0.8
57.03428	13.8
59.04991	1.6
61.02911	14.7
62.26458	0.8
67.05484	1.1
69.03414	31.9
69.07056	4.7
71.01341	1.6
71.04960	1.7
73.02899	45.1
76.55982	0.8
79.05481	1.2
81.03392	8.2
81.07039	1.6
83.04954	1.3
85.02892	100.0
85.14671	0.8
87.04449	5.1
91.03934	4.5
91.05457	7.9
92.08674	1.0
92.09167	2.6
93.07014	0.8
96.28907	0.9
97.02876	35.3
97.03493	1.2
99.04426	3.6
103.03931	1.2
105.07005	1.2
107.04971	1.1
109.02866	9.2
110.72723	0.7
115.03917	12.5
119.04937	5.6
127.03898	20.9
133.04945	13.1
137.05971	19.2
145.04939	26.7
147.04349	0.9
150.07547	1.4
151.07538	12.8
163.06027	9.1
169.24103	0.9
192.97440	0.8
241.07005	1.3
259.08112	1.5
261.11234	5.2
315.13327	1.7
337.82803	0.8
439.22894	2.1
440.23276	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01861	1.4
57.03419	1.0
57.44993	0.8
59.22389	0.8
61.02913	2.2
65.03918	3.7
67.05491	6.1
69.03381	1.3
70.06590	1.4
71.01359	1.0
77.03925	1.7
79.05476	4.1
81.03397	2.1
81.07028	4.5
85.02886	4.3
91.05465	4.0
95.04950	99.4
105.04507	5.7
105.07000	2.1
107.04952	3.7
107.08609	1.8
108.02119	1.6
109.06513	1.5
109.10151	1.0
111.04449	1.2
115.12763	1.2
117.03321	1.2
121.06499	2.1
123.04406	100.0
125.02393	1.1
125.06013	1.3
126.47452	0.9
127.03886	2.1
127.07536	2.1
133.02925	1.0
135.04410	4.0
137.06006	1.7
140.04666	32.7
141.05446	1.9
147.04404	2.4
147.11801	1.2
149.05992	1.9
150.06764	3.3
151.03886	33.6
151.04956	3.3
151.07556	1.3
152.04797	1.1
153.05493	1.2
155.07001	42.9
160.48814	0.9
167.07007	20.9
177.05495	2.3
178.06235	2.3
179.06995	4.1
183.06497	69.3
195.06532	4.3
208.26218	1.0
223.19710	1.1
225.07474	9.5
236.11783	1.0
298.56805	1.0
439.15753	36.1
439.21646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86001	0.5
55.05489	0.7
56.96559	7.1
57.03426	0.8
57.07060	0.5
65.41911	0.5
67.05490	1.1
69.07051	3.0
71.95242	0.6
79.05479	6.6
81.07034	3.5
83.08596	1.1
91.05472	2.3
93.07026	10.9
95.04941	1.0
95.08588	1.2
97.06493	2.1
98.97568	100.0
105.07026	2.7
107.08588	11.2
109.10138	0.9
116.98604	87.4
119.08535	1.9
121.10139	0.8
123.08092	0.6
133.10147	1.1
134.99640	48.4
135.11650	11.3
135.57399	0.5
140.00218	1.9
147.11725	0.9
153.00688	7.0
158.01244	0.9
170.56459	0.5
211.90080	0.5
212.41479	0.6
251.09497	14.0
259.99701	0.6
269.10550	41.3
281.92697	0.5
287.11609	55.0
305.12680	3.7
310.13239	1.9
379.31400	0.6
399.88669	0.5
439.18671	2.3
439.24149	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01863	5.1
55.05486	2.1
55.45618	2.0
57.03413	14.9
61.02913	4.8
69.03416	22.5
69.07046	2.3
70.06556	3.2
71.01322	15.0
71.04967	15.2
73.02899	9.3
79.05464	3.2
81.03399	38.8
81.07030	5.4
81.49045	2.2
83.04951	13.9
85.02891	85.6
87.04451	4.0
89.93726	2.1
91.05453	3.7
93.07021	3.8
95.04940	13.8
97.02856	37.3
99.04433	84.3
103.03925	80.6
105.07033	2.8
107.04935	3.4
107.08595	4.4
109.02865	48.2
109.06491	3.7
109.10128	2.3
110.33040	2.5
111.04410	4.0
111.08051	2.9
115.03900	2.6
117.05460	10.8
119.08578	4.2
121.10102	5.3
123.04397	10.0
123.08002	3.9
125.05924	3.8
127.03895	100.0
129.05466	10.2
135.07997	3.2
145.04936	44.7
147.11572	2.7
149.05894	2.4
151.03769	2.3
163.05930	24.4
165.05391	3.4
169.04872	3.4
183.06480	9.2
187.06053	4.6
207.06416	12.8
207.13834	11.2
225.07559	12.6
225.14825	5.3
243.08463	4.4
243.15977	2.8
247.08035	3.9
271.08093	13.9
275.10944	2.3
288.47644	2.3
289.09103	3.9
303.10587	14.3
307.10083	20.7
323.17804	2.4
376.85846	2.9
405.13809	13.6
441.09833	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	440.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.6
64.32665	1.4
67.05496	8.4
69.03419	8.0
69.07069	3.1
71.04963	1.7
71.31516	1.5
79.05453	5.4
81.07039	12.7
82.42335	1.4
83.04969	7.9
85.02898	8.2
91.05440	12.4
93.07018	9.7
95.04939	6.9
95.08594	8.5
97.02868	3.2
97.06523	6.5
99.04443	7.6
105.07018	40.2
107.08595	13.4
109.06517	6.6
109.10139	37.4
111.00645	1.4
115.03885	1.9
119.08556	76.6
121.10108	10.7
123.08060	9.0
127.03863	1.7
133.06491	7.7
133.10109	47.1
134.06807	1.9
137.05959	11.1
137.09592	25.5
138.06335	3.1
141.05513	1.5
143.08578	2.5
147.04369	2.0
147.08029	13.1
151.07507	16.7
151.11191	3.0
155.10690	3.6
161.09586	26.6
163.11124	11.8
164.75357	1.4
165.09090	34.5
167.07051	1.6
179.10658	28.3
183.10187	16.1
185.04169	6.0
189.09082	12.5
193.69101	1.4
197.11723	20.5
204.07626	3.4
207.10168	14.7
212.98543	2.0
225.11198	30.8
243.12230	30.4
255.03053	16.4
261.13443	2.4
279.11957	1.7
311.05786	8.6
356.76801	1.5
441.17255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35087	0.4
51.28374	0.4
52.99612	0.4
53.03947	0.7
53.69822	0.4
55.05237	0.6
55.05501	13.9
57.03427	1.1
61.02929	0.7
62.09455	0.5
67.05489	8.9
69.03417	3.8
69.07048	3.5
71.04977	2.2
75.76055	0.5
79.05482	7.4
81.03396	0.9
81.07033	13.3
83.04961	7.5
85.02880	4.9
87.04461	0.7
89.02377	0.7
91.05453	11.8
93.07022	9.3
95.04947	5.3
95.08578	9.5
97.02892	2.0
97.06503	5.1
99.04420	4.9
99.08082	0.8
104.85529	0.5
105.07010	41.3
107.04922	1.2
107.08574	15.1
109.02834	1.0
109.06508	7.2
109.10139	51.2
111.04433	3.3
113.05936	0.7
115.03866	0.6
117.06989	1.2
119.08553	100.0
121.06432	0.7
121.10117	10.5
123.04385	0.5
123.08012	7.5
123.11646	0.8
125.05979	0.8
125.09597	0.6
127.03893	0.6
128.06204	0.8
131.08539	1.0
133.06477	5.7
133.10101	57.3
134.10445	0.7
135.08009	2.2
135.11705	0.9
137.05980	2.7
137.09590	35.8
143.08542	3.0
145.06343	0.6
145.10100	2.5
147.08043	12.5
151.07520	21.8
151.11159	2.6
155.10645	9.0
155.83875	0.5
161.08223	1.0
161.09581	32.4
163.11151	11.3
165.09076	36.4
166.09401	0.7
169.08586	2.6
179.10626	35.3
183.10123	20.1
189.09056	11.1
197.11690	28.4
207.10139	15.0
225.11185	33.8
225.14703	1.4
243.12225	32.1
261.13141	4.0
280.39685	0.6
455.87799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.4
55.01866	3.6
55.05500	7.1
57.03434	18.9
61.02908	2.7
61.82946	1.3
64.32879	1.7
67.05484	9.3
69.03400	6.9
69.07051	11.5
71.01323	1.6
71.04977	90.4
73.02884	11.5
74.36768	1.4
75.04450	2.8
79.05457	9.1
81.03410	1.5
81.06596	2.4
81.07041	34.2
83.04975	14.5
83.08621	3.0
85.02892	100.0
85.06522	3.7
91.05457	11.1
93.07027	35.0
95.04934	10.0
95.08588	36.4
97.02870	3.5
97.06508	20.2
99.04448	12.0
105.07015	19.3
107.04938	9.3
107.08575	25.0
109.06510	22.1
109.10142	10.5
111.04401	6.7
111.08070	10.2
113.06034	1.9
113.09648	2.6
116.32229	1.6
119.08580	18.7
121.02857	2.1
121.06483	50.6
121.10110	8.8
123.04395	3.4
123.08006	6.2
123.11666	7.1
125.05960	9.6
127.03915	6.4
127.07533	10.4
129.05444	21.6
129.07007	2.6
131.08527	1.9
133.10097	11.1
135.04424	1.9
135.08044	9.7
135.11528	1.6
137.05965	2.7
137.13130	1.8
139.03842	1.7
139.07513	13.6
142.07729	1.8
143.07011	7.1
143.08557	3.5
145.10120	3.8
147.06490	7.9
147.08018	41.5
147.11684	38.4
149.02306	1.6
149.09647	1.8
151.03841	2.7
151.07547	2.2
151.11177	2.3
153.01761	6.2
154.02164	2.0
157.08682	3.2
157.10078	10.7
159.06473	1.6
161.13177	8.1
164.09190	3.1
165.12697	14.8
169.12178	7.5
171.11693	10.8
175.11136	27.7
181.10025	2.0
189.12743	14.9
193.12210	17.8
199.11122	20.8
207.13745	8.5
211.13269	15.3
217.12206	50.7
229.14276	3.0
235.13248	43.2
253.14259	65.9
271.15314	19.7
289.16351	18.5
306.06720	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	438.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59273	1.5
53.03934	3.1
55.01846	3.9
55.05504	24.2
57.03425	2.6
57.07064	4.8
58.49888	1.7
65.03901	2.2
65.76806	1.9
67.05489	33.6
69.03399	8.5
69.05959	1.8
69.07059	28.5
71.04983	27.1
79.05476	42.4
81.06596	3.3
81.07035	56.2
83.04967	13.0
83.08582	4.1
85.06539	3.8
89.06001	13.9
91.05446	45.6
93.07019	100.0
95.04931	17.4
95.06870	2.0
95.08585	31.5
97.06510	11.3
99.04418	15.8
103.05419	3.6
105.07018	81.1
106.07812	9.2
107.04931	3.0
107.07880	2.5
107.08579	51.6
109.06512	29.5
109.10147	18.7
110.03651	4.1
111.08065	7.1
117.06995	12.7
119.04874	2.6
119.08553	58.3
121.06506	18.5
121.10134	45.0
123.08068	19.3
123.11697	8.1
124.08826	8.9
125.05981	9.2
125.48376	2.2
128.06204	2.1
129.07030	2.5
130.07762	3.6
131.08556	21.9
133.06471	4.3
133.10101	23.1
134.07195	2.8
135.08018	8.5
135.11664	27.9
137.05954	73.3
137.09564	8.4
139.11140	2.7
143.08571	4.4
145.10098	24.2
147.08012	3.1
147.11694	23.5
148.12440	2.6
149.09618	16.0
149.13272	4.2
152.08301	29.8
153.12720	2.2
157.10086	4.1
159.11694	11.2
161.09592	7.8
161.13190	3.0
163.11136	20.4
164.11908	3.5
165.12752	3.4
175.11148	7.5
179.10643	4.5
181.12198	63.2
189.12701	2.9
191.14250	2.7
192.11449	3.3
194.12953	2.7
203.17805	2.7
207.13797	10.4
210.12462	2.1
235.16849	2.9
239.14813	7.8
331.02386	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	437.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
63.06923	0.6
67.05485	1.5
67.60021	0.7
69.07048	1.4
76.80312	0.7
79.05462	3.7
81.07065	5.8
91.05457	3.4
93.07008	7.0
95.04951	1.0
95.08568	3.1
105.07008	8.1
107.08568	4.0
109.06518	0.9
109.10126	1.2
117.06981	1.0
119.08551	3.5
121.10109	3.2
121.32664	0.7
125.09379	0.7
131.08563	1.2
131.79619	0.7
133.10085	1.6
135.11688	1.7
141.33316	0.8
145.10085	4.1
147.11639	0.9
159.11673	0.8
201.05240	1.8
201.16400	1.5
216.07544	20.8
369.53165	0.9
384.58908	0.8
437.26489	100.0
438.26968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52442	7.8
55.05500	58.4
57.07062	60.2
60.72886	12.3
65.63985	11.4
67.05499	22.6
69.07056	98.5
71.08626	17.8
75.83904	11.0
79.05477	13.6
81.07050	52.6
83.04942	15.5
83.08606	65.1
85.10165	13.5
92.57533	11.1
93.07029	58.1
95.06238	13.3
95.08592	75.5
96.99543	10.6
97.10146	24.5
99.04396	39.2
105.07025	46.2
107.08600	25.7
109.10166	16.8
111.04394	13.6
111.11757	11.1
119.08573	66.2
121.06457	11.7
123.11692	13.8
131.08589	13.2
133.10117	14.0
145.10147	27.4
153.05447	13.8
159.11731	18.9
165.45494	14.6
201.16423	11.9
209.88489	11.1
217.15956	12.2
347.29260	100.0
377.33609	15.7
419.34930	61.5
437.34338	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	438.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11533	0.8
53.03936	1.4
55.01856	2.4
56.13445	1.0
57.03427	1.3
65.03928	1.5
67.05499	10.4
69.03419	4.6
69.07065	1.5
71.04970	4.0
73.02870	1.1
79.05478	15.7
81.03384	2.3
81.07044	6.1
83.04960	6.6
85.02879	5.1
85.06529	25.4
91.05468	26.6
93.03385	2.4
93.07034	7.7
95.04935	6.3
97.02878	11.1
97.06504	2.1
99.04423	2.7
103.05431	1.4
105.03389	4.2
105.07020	30.4
107.04950	6.1
107.08584	26.5
109.02858	5.2
109.06500	2.2
109.10118	2.1
111.04430	11.5
113.05990	1.2
114.36249	1.0
115.05456	6.0
116.06221	5.2
117.07001	100.0
118.07717	1.2
119.04910	1.5
119.08549	7.8
121.06470	4.8
121.10125	2.2
123.04398	5.7
123.08044	2.4
125.02336	31.9
125.05987	4.5
127.03974	1.2
128.06194	2.2
129.06970	4.9
131.04869	2.0
131.08553	92.5
133.06499	9.8
133.10117	11.6
135.07060	1.9
135.08035	32.6
141.06998	1.5
141.98383	1.4
143.06998	2.2
143.08553	2.2
145.06471	25.2
147.04349	1.5
149.06003	1.8
149.09619	8.3
151.07501	1.6
159.04475	1.3
159.08028	58.7
161.05963	16.3
161.09552	9.2
163.07512	97.7
169.93037	1.1
177.07541	1.7
177.09088	46.9
181.08595	11.0
182.98146	1.2
187.07539	20.2
204.18211	1.2
205.08574	29.1
223.09633	80.5
241.10667	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.2
55.05501	7.9
57.03421	14.1
59.07565	1.6
61.02910	3.8
67.05489	42.8
69.03407	16.2
69.07060	14.1
71.04970	11.8
73.02898	17.3
75.97873	1.6
76.34052	1.8
77.03854	2.4
79.05486	22.8
81.03421	2.0
81.07037	65.7
83.04958	21.1
83.08604	8.7
85.02888	23.3
85.06531	9.3
87.04491	2.8
91.05460	15.2
93.07017	55.2
95.04963	19.3
95.08585	54.7
97.02862	8.6
97.06511	30.4
99.04445	20.6
105.07009	39.2
107.05020	2.1
107.08572	39.7
109.06496	23.0
109.10146	46.6
111.08067	25.5
113.05981	4.4
115.03923	2.7
115.59119	2.3
117.06929	3.3
119.08575	19.8
120.04452	2.4
121.06479	85.0
121.10128	15.3
123.04413	2.4
123.08034	4.0
123.11692	11.8
125.05934	22.2
127.07531	9.8
129.07030	3.2
131.08530	3.5
133.04958	3.2
133.10101	27.0
135.04416	4.1
135.08047	12.4
135.11620	3.3
137.05951	7.3
137.13316	2.3
139.07516	23.9
142.07713	2.1
143.07048	8.1
143.08531	6.9
145.04918	3.0
145.10091	10.3
147.08034	3.2
147.11662	62.4
149.09575	3.5
149.13214	3.4
151.11191	7.5
157.08640	7.7
157.10098	17.2
159.06529	11.1
161.13246	16.8
163.14804	4.5
165.12744	17.6
166.07635	2.4
169.12187	21.5
171.11626	17.2
173.09599	2.5
175.06065	1.9
175.11124	34.3
175.12468	2.8
181.10088	4.6
183.13887	2.0
187.14801	2.1
189.12741	28.8
193.12192	31.6
199.11151	31.2
207.13805	13.0
211.13266	21.6
217.12204	80.9
223.16934	8.6
229.14299	8.8
235.13252	68.1
241.17941	3.1
244.84378	2.0
253.14281	100.0
253.18071	3.2
259.19049	2.3
271.15353	27.9
289.16461	36.1
289.19791	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1076
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
50.82585	0.4
54.81712	0.4
55.01847	1.0
57.03427	22.7
57.43782	0.3
61.02913	4.2
65.03930	1.4
67.01842	0.9
67.05508	0.5
68.99773	2.4
69.03407	1.9
71.01334	1.0
73.02896	35.9
85.02884	2.1
93.03362	0.5
95.04943	3.7
97.02876	0.6
105.03359	0.8
109.02904	0.6
109.10164	0.5
111.04422	6.5
115.03880	0.7
121.02842	10.6
123.04402	64.5
127.03831	0.9
129.07024	0.7
133.02834	2.9
135.04390	2.8
137.02332	0.9
137.86458	0.5
139.03857	6.8
145.06511	0.5
147.04385	1.1
149.02319	85.7
150.03070	2.5
151.03865	3.9
153.01804	100.0
154.68500	0.4
157.06459	3.9
161.02315	7.0
161.05916	0.5
163.03867	1.8
165.01851	0.6
167.03360	14.0
167.04736	1.0
175.07558	2.2
177.01762	0.6
179.03349	3.7
185.05969	10.1
195.02856	16.6
203.03365	2.9
203.07027	0.8
213.05418	16.4
217.05003	0.5
219.02740	0.5
231.06480	62.8
241.04861	6.9
251.82777	0.4
257.04367	0.5
258.05179	2.7
259.05951	44.4
269.04520	0.5
273.03824	0.5
287.05435	20.2
297.08585	0.5
305.06491	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48470	0.4
53.03927	0.4
55.01852	0.6
55.05501	3.6
56.15099	0.4
57.03429	3.3
57.07053	2.0
59.04978	0.5
61.02908	0.9
67.05491	5.9
68.99734	0.5
69.03411	4.9
69.07049	5.9
71.04967	6.1
73.06515	0.6
76.33446	0.4
77.19868	0.4
79.05459	4.8
81.03380	0.7
81.07037	19.4
83.04970	1.0
83.08598	2.8
84.60313	0.5
85.02887	20.9
85.06534	1.0
91.05471	5.1
91.05968	0.7
93.07014	14.1
95.04948	0.8
95.08580	33.3
97.02866	3.3
97.06514	3.8
97.10132	2.5
99.04440	0.7
99.08054	0.5
105.01793	0.6
105.07011	25.0
106.99731	0.4
107.04919	0.7
107.08574	19.2
109.02856	1.8
109.06489	2.3
109.10135	23.6
111.08060	4.4
113.09621	0.4
117.06989	0.6
117.10542	0.7
119.08562	17.9
121.10120	15.0
123.08040	8.3
123.11675	8.2
125.09652	0.7
127.03859	5.1
127.07526	1.9
127.11229	0.6
129.23410	0.4
131.08498	0.8
133.10098	20.6
135.11652	7.4
137.09595	3.6
137.13159	1.8
139.11087	0.6
143.08525	0.5
145.04933	6.9
145.10089	2.1
147.11661	32.6
149.13220	10.0
153.12711	13.3
159.11644	1.0
161.09630	3.5
161.13205	12.7
163.03828	0.4
163.06024	4.1
163.14787	2.5
165.12740	2.0
169.09961	0.5
172.28883	0.4
174.14122	0.5
175.14764	4.5
177.16360	3.0
177.70035	0.5
179.14230	0.5
181.04881	0.5
184.89159	0.4
188.78963	0.5
189.49451	0.5
193.15854	0.6
201.16454	0.5
203.17918	100.0
204.18243	0.9
207.10225	0.8
221.15372	3.3
221.18962	53.7
229.22585	0.5
239.16475	3.1
239.20058	4.0
257.17517	0.6
308.98569	0.5
365.23224	0.5
383.24118	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	436.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51127	0.4
55.05497	4.1
56.92884	0.5
57.03418	1.2
57.07052	3.6
59.23547	0.6
61.02901	1.3
67.05483	7.3
69.03396	2.7
69.07050	5.9
71.04944	0.6
73.02876	3.5
79.05449	3.2
81.07034	27.4
82.74094	0.5
83.04948	0.5
83.08587	1.2
85.02888	15.9
91.05449	6.4
92.08684	1.4
93.07013	11.8
95.04930	1.0
95.08009	1.1
95.08581	28.6
97.02854	2.6
97.06504	0.8
97.10132	1.3
99.08054	3.3
105.07005	27.4
107.07866	1.0
107.08573	20.9
109.02865	2.1
109.06449	0.6
109.10130	22.3
111.08084	0.7
119.08549	21.1
121.10108	35.2
123.04390	3.8
123.11676	85.3
125.09512	0.5
127.03850	3.6
131.08530	1.2
133.10097	17.4
135.11655	3.7
137.13239	3.0
145.04912	5.0
145.10042	1.3
147.11661	60.3
149.02301	3.8
149.13307	0.8
151.11147	3.0
153.01788	10.8
159.11635	0.9
161.02319	0.7
161.13196	11.7
163.05972	6.9
163.14786	8.8
165.12706	13.5
167.03372	1.1
175.14766	3.0
177.16301	3.3
181.15834	2.5
181.56970	0.6
195.02808	0.9
203.17912	100.0
204.18289	0.7
221.18959	65.0
231.06494	3.1
248.07655	0.6
259.05978	2.6
305.06534	2.6
370.59338	0.7
386.49075	0.6
457.36932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98100	0.7
55.05498	5.2
57.03419	1.6
57.07060	1.1
59.03880	0.8
59.76974	0.6
64.84866	0.7
67.05477	6.0
69.03404	3.5
69.07054	5.8
71.04964	1.4
73.02877	1.0
75.56917	0.8
79.05480	3.3
81.07036	15.1
83.08597	5.4
85.02893	20.9
85.06517	1.5
91.05456	5.4
93.07015	10.2
95.08594	22.9
97.02863	3.4
99.04413	1.2
101.06007	3.6
103.68618	0.8
105.07021	34.2
107.08582	19.2
109.10152	36.5
111.08045	1.4
113.09616	1.0
119.08568	31.2
121.10127	16.4
123.11702	13.2
127.03896	4.9
133.10106	17.0
135.11633	6.5
137.09572	1.2
145.04932	6.8
145.10173	1.5
147.11678	84.0
149.02298	0.9
149.13234	24.8
151.11195	4.9
156.52434	1.0
161.13235	14.5
163.05998	7.0
163.14815	4.5
165.12712	3.7
175.14792	2.1
194.40964	0.9
195.26805	0.8
203.17937	100.0
221.18985	64.3
221.27190	0.8
239.20015	1.3
326.12885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01876	2.0
55.05505	9.4
57.03431	13.6
59.04985	1.1
61.02910	4.4
67.05504	8.2
69.03405	7.7
69.07059	8.9
69.86858	0.9
71.04984	10.1
79.05470	8.7
81.03415	3.4
81.07040	25.7
82.07379	1.0
82.31211	0.9
83.04971	12.0
83.08614	5.4
83.45647	0.7
85.02898	19.2
85.06531	3.7
91.05461	9.8
93.07033	27.1
95.04936	1.4
95.08586	19.8
97.02861	4.6
97.06509	10.1
97.10178	1.1
99.04466	3.4
99.08080	1.5
105.07020	41.5
107.04945	5.5
107.08585	22.2
109.02846	1.5
109.06506	14.7
109.10131	9.4
111.08067	11.3
113.09616	2.0
119.08566	28.4
120.04372	1.1
121.06478	1.9
121.10122	11.3
123.08053	100.0
123.11698	3.8
125.09611	1.7
127.03898	3.5
127.07531	17.0
129.09097	4.0
131.08545	5.1
133.10118	17.2
135.11678	6.1
137.06021	1.3
137.09586	2.0
139.07478	1.1
142.07779	1.4
143.08577	6.6
145.10118	13.0
147.04295	1.2
147.11684	32.7
148.04803	1.2
149.09592	12.4
149.13295	4.5
151.11119	1.5
153.01808	3.5
154.02043	1.0
157.10156	8.9
159.11671	2.2
161.09599	3.9
161.13194	6.7
163.11182	7.7
165.12724	6.9
175.14795	12.3
177.12863	1.0
179.14285	1.8
180.08597	1.3
185.13239	12.2
193.15886	5.6
203.14316	22.7
203.17934	5.0
221.15356	39.2
221.18719	1.0
234.50569	0.9
239.16389	30.1
239.18987	1.3
239.20032	2.1
250.60481	0.9
257.17459	7.5
272.73996	0.9
273.07669	1.0
274.07706	1.4
319.54776	1.0
356.91711	1.0
457.84943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01861	2.8
55.05505	7.1
57.03432	11.9
59.04991	0.8
61.02910	2.9
61.71113	0.6
67.05493	8.2
69.03421	7.4
69.07056	9.9
71.04979	9.9
73.02878	0.8
75.04451	1.2
79.05473	10.3
81.03387	1.1
81.07040	22.9
83.04970	11.5
83.08608	7.4
85.02419	1.1
85.02893	16.0
85.06516	3.8
87.04452	1.1
91.05460	8.8
93.06490	1.0
93.07032	23.6
93.95924	0.6
95.04935	2.8
95.08595	19.2
97.02882	4.7
97.06511	8.1
99.04459	2.2
99.08089	1.6
105.07021	44.0
107.04925	5.2
107.08589	22.0
109.02848	1.1
109.06504	11.9
109.10159	10.5
111.08070	10.2
111.11703	1.3
113.05961	0.8
113.09621	1.4
117.06994	1.1
119.08567	31.0
120.04439	1.3
121.06486	3.3
121.10114	10.4
123.08049	100.0
123.11667	3.3
125.06016	0.9
125.09628	1.6
127.03882	1.2
127.07530	15.7
129.06906	1.0
129.09085	3.7
130.60091	0.7
131.08551	4.7
133.06491	1.0
133.10110	18.3
135.11685	6.3
137.05971	0.8
137.09595	2.9
137.13153	0.8
139.07559	1.1
139.11145	0.7
140.97256	0.7
141.09109	1.1
142.07774	1.3
143.08578	6.0
145.04936	1.6
145.10104	11.0
147.04366	1.4
147.07976	0.7
147.11676	33.9
148.04779	1.1
149.09590	12.6
149.13228	3.9
153.01801	5.9
154.02164	1.6
157.10127	7.9
159.11661	4.5
161.09572	2.7
161.13226	6.3
163.11130	6.4
165.12727	7.0
167.07030	1.2
175.14813	12.6
177.12660	1.3
179.14287	3.8
185.13222	10.0
191.17877	1.4
193.15851	7.4
203.14310	17.9
203.17957	5.1
221.15358	34.0
221.18834	2.5
238.18875	0.7
239.16386	30.3
239.20103	2.9
254.14473	0.7
257.17416	6.6
273.07602	1.2
274.07864	5.0
427.15067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
54.15074	0.4
55.01863	0.8
55.05508	4.9
56.96544	0.7
57.03425	0.9
58.42597	0.4
61.02912	0.6
67.05492	6.2
69.03414	4.8
69.07043	3.3
71.04969	5.4
73.56514	0.5
79.05480	17.3
81.03373	0.7
81.07040	10.3
82.74023	0.5
83.04965	20.9
85.02902	5.8
87.04461	0.9
89.10141	0.5
91.05449	6.7
93.07024	10.9
95.04939	4.4
95.08601	7.0
97.02857	3.8
97.06520	6.0
99.04414	3.3
105.07018	10.2
106.04165	0.6
107.04947	9.3
107.08570	8.8
109.02859	2.3
109.06485	4.1
109.10141	16.2
111.04417	28.0
111.08038	1.3
113.02332	0.7
113.05979	1.0
117.06979	0.9
119.08556	11.6
121.06467	3.2
121.10114	1.2
123.04392	2.2
123.08042	1.1
123.11701	2.1
125.05963	9.6
127.03835	0.8
128.06187	1.3
128.08011	0.5
129.06970	2.3
131.08508	0.9
133.06462	1.0
133.10106	18.0
135.08034	5.0
135.11687	6.7
137.05978	0.6
137.09599	21.8
139.07547	1.1
143.07025	3.6
143.08542	12.7
145.10092	3.1
146.07249	3.4
147.08031	19.1
147.11661	2.1
148.08818	1.3
149.09569	0.5
151.11179	0.9
155.69997	0.6
161.09590	60.1
161.13226	2.5
163.07451	0.6
163.11159	6.4
163.74387	0.5
165.09085	19.0
169.85966	0.6
171.08025	2.4
174.06779	2.2
178.10463	0.6
179.10637	13.9
181.12283	0.6
189.09044	8.2
190.03378	0.5
197.11674	2.8
203.17920	2.4
207.10121	21.9
221.15437	0.7
221.18968	3.6
225.11176	100.0
239.12758	2.3
239.20039	1.0
257.13785	7.2
436.20224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.2
55.01870	13.1
55.05485	1.3
57.03433	12.8
61.02908	8.3
65.03905	1.9
68.99761	6.7
69.03070	2.2
69.03416	45.3
71.04973	3.3
73.02897	15.2
79.05460	1.4
81.03388	41.8
83.04968	2.1
83.92751	1.4
85.02885	100.0
85.65078	1.4
87.00811	46.1
87.04446	2.9
91.03940	3.0
91.05463	1.8
93.06997	1.6
93.29759	1.3
95.04935	5.9
97.02868	40.8
99.04433	23.0
105.01846	20.0
105.06970	5.3
105.57374	1.5
107.04936	56.7
108.04444	6.4
109.02859	38.6
109.06493	1.9
111.04406	24.2
115.03887	5.5
117.01848	6.0
119.08553	3.0
121.06464	2.7
123.04405	25.4
126.05520	2.7
127.03895	45.4
129.01816	6.9
133.04938	2.0
133.10106	2.0
135.04381	2.0
139.03877	61.3
139.04915	2.7
141.05460	2.5
145.04924	20.7
147.04417	1.9
149.02391	1.7
159.02856	17.7
159.11629	1.4
162.18478	1.4
163.03876	14.5
165.05458	10.2
167.07010	1.8
169.04999	1.5
171.06497	41.0
177.05475	2.1
181.04916	5.2
181.52130	1.3
189.03854	3.0
195.06502	16.1
203.10626	1.4
213.07562	17.1
221.11804	2.1
222.05174	1.4
231.04958	7.5
237.07487	10.8
239.12662	2.5
248.07637	2.1
253.28625	1.4
261.07599	5.8
279.08569	13.3
286.07333	2.2
304.08752	1.7
324.40250	1.6
382.11682	1.7
383.10059	1.7
415.43964	1.5
436.16064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96362	0.1
51.02372	0.1
53.03934	0.2
54.82012	0.1
55.01870	1.4
56.66149	0.1
56.96554	0.2
57.03430	5.5
61.02905	0.7
64.56303	0.1
65.67358	0.1
69.03402	1.2
70.96436	0.1
73.02900	0.2
75.04456	2.1
79.05473	1.8
81.03392	0.9
85.02887	4.8
91.05464	1.1
94.04166	0.3
95.04938	0.3
97.02852	1.6
103.05459	1.5
103.66985	0.2
105.07010	26.4
106.04119	0.2
106.79897	0.2
107.04945	2.6
107.08593	0.1
109.02869	0.3
109.06498	0.8
114.37775	0.1
115.05437	0.2
117.07016	0.5
119.04996	0.1
119.08511	0.3
121.06470	0.6
122.03603	1.5
124.05177	0.6
127.03875	0.6
131.04930	0.2
131.08574	0.2
133.06465	51.9
133.51674	0.2
134.06779	0.2
135.04384	0.7
135.08073	0.5
136.05151	0.2
137.05952	100.0
138.06288	0.6
143.08536	0.3
145.04999	0.2
145.06458	0.2
147.08044	0.3
150.06749	0.6
151.07487	0.7
160.08772	0.2
161.09592	0.2
162.06815	0.2
163.07513	4.2
165.09074	25.4
175.07480	3.6
175.11195	0.2
177.09050	0.9
180.07831	0.3
181.08493	1.7
182.09360	0.6
183.10127	11.5
188.08348	0.2
191.10506	0.2
193.08557	0.3
203.10617	1.4
209.11755	0.6
221.11665	2.3
224.10431	0.3
239.02122	0.2
239.12706	1.9
257.13779	31.2
277.99670	0.2
288.64066	0.2
316.39322	0.1
385.72833	0.2
405.16321	0.2
413.07791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83711	1.1
53.03932	2.8
55.01864	2.5
55.05496	2.9
55.31413	1.2
56.42018	1.2
57.03427	2.5
59.04983	1.4
65.03928	8.6
65.90719	1.2
67.05494	10.2
69.03416	6.7
69.07053	6.4
71.04982	2.1
79.05476	23.4
81.03399	2.8
81.07043	16.5
82.07343	1.2
83.04980	1.9
85.02889	8.3
91.05462	29.9
93.07013	25.8
94.07366	2.0
95.04949	14.5
95.05478	1.9
95.08582	12.3
96.08917	1.4
97.06479	5.5
102.14052	1.2
103.05449	10.0
105.07000	25.4
106.07338	2.5
107.04932	46.5
107.08581	12.5
109.06507	7.0
109.10146	9.8
110.03643	2.3
111.04435	6.4
111.08076	1.9
115.05438	7.9
116.06148	2.5
117.06989	11.3
119.04903	6.6
119.08566	9.8
120.08901	1.3
121.06481	24.7
121.10120	9.1
122.03693	1.3
123.04427	7.4
123.08071	2.5
124.05200	8.3
125.05957	8.0
128.06198	9.5
129.06956	27.8
131.04921	11.9
131.08501	13.0
132.05711	1.7
133.06487	7.3
133.10085	8.8
135.04414	1.7
135.08037	6.5
135.11681	1.9
136.05167	1.6
137.05959	19.7
138.03105	2.0
139.07616	1.8
140.04718	1.6
141.07021	1.9
143.04837	1.9
143.08478	1.6
145.06465	14.4
145.10085	10.4
146.03587	2.3
147.04395	2.9
147.08052	3.4
147.11665	3.0
148.05200	1.8
149.05942	10.9
151.03891	5.8
151.07526	17.9
152.04657	3.3
152.06215	1.4
153.05429	15.5
156.05611	1.8
157.06468	21.3
159.08054	1.8
159.11681	8.6
160.05183	2.2
161.05942	35.3
161.07181	2.2
161.09590	8.5
161.13187	1.5
162.06628	3.4
163.07497	14.9
163.10918	1.6
165.05492	2.0
165.06953	7.8
165.09093	6.8
166.06258	11.5
166.07471	1.7
167.07013	100.0
167.08479	7.8
171.06523	6.3
173.05969	2.5
173.13231	2.1
174.06749	14.6
175.07516	10.9
175.14813	2.1
177.05502	1.6
177.06944	2.9
177.09097	6.4
178.07805	2.6
179.07001	4.9
179.08531	6.3
181.04964	55.3
181.06499	6.6
181.08553	52.2
182.07208	6.0
183.08002	1.6
187.07483	2.7
189.09061	47.7
191.08533	2.9
193.06430	7.0
194.07173	2.1
195.08035	17.2
196.08646	2.1
197.05887	2.0
197.09569	7.4
199.07544	2.3
201.05363	5.8
201.16328	7.7
205.06590	1.7
205.08466	1.7
207.08038	6.9
207.10152	6.6
208.08801	3.4
209.06078	2.4
209.09550	2.0
210.06715	6.5
211.07474	6.8
212.08325	3.3
213.09024	1.6
218.05618	1.9
219.06229	1.8
219.08052	6.3
219.09973	1.6
219.17441	5.5
220.17656	2.4
221.05910	6.1
222.06686	6.5
223.07611	12.3
223.11119	5.9
224.08319	2.9
225.09070	18.1
226.06184	1.9
227.07002	9.1
233.08069	12.8
235.07558	5.1
235.09686	2.7
236.08325	2.6
237.05403	1.8
237.09082	6.4
237.18478	2.3
238.06200	2.4
239.07004	7.1
239.10582	2.7
240.07784	5.9
241.08452	12.5
242.09299	2.2
247.07629	2.6
249.09166	1.7
251.06963	7.1
251.10576	6.1
252.07788	5.4
253.08551	14.8
255.06470	6.8
255.10153	8.8
257.07986	2.1
257.11624	9.6
263.09146	2.7
264.07602	1.8
265.08636	2.7
267.06351	2.3
267.10129	5.8
268.07294	3.0
269.08023	8.8
270.08841	7.3
271.13290	1.6
279.10135	3.3
281.07974	2.9
283.09583	13.8
283.13214	7.6
285.07870	4.0
285.11139	22.1
295.09488	1.9
299.09296	2.0
299.12625	1.6
300.09671	2.2
301.10550	2.6
302.11499	7.7
311.12686	6.7
315.12244	10.9
316.13037	6.9
317.13803	13.3
329.13687	5.2
331.15369	2.4
343.15442	12.9
346.14038	14.4
359.15012	5.2
360.15558	48.2
361.16351	34.6
387.14557	2.8
399.14255	2.2
417.15445	11.5
435.20111	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	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.10001	0.2
55.01857	0.3
55.05487	0.2
57.03420	1.5
57.80256	0.2
61.02921	2.0
62.29773	0.2
68.99761	1.3
69.03413	0.9
70.31277	0.2
71.01339	0.4
73.02901	19.6
81.03410	0.3
81.07037	0.4
85.02893	1.4
93.03387	0.3
93.07054	0.2
95.04934	0.5
95.08598	0.3
100.56120	0.3
109.02856	1.0
111.00768	1.8
119.08535	0.4
121.02876	1.6
123.04362	0.3
133.10077	0.4
135.04393	0.3
137.02325	5.6
137.70351	0.2
145.06467	0.3
145.10052	0.2
149.02341	0.5
153.01814	6.5
161.06018	0.3
161.13252	0.2
163.03859	1.0
165.01810	2.9
166.02618	0.3
173.05988	0.4
183.02881	1.4
183.04341	0.3
187.03854	0.9
191.03383	0.4
194.61525	0.3
195.02924	0.4
201.05429	3.2
201.16429	0.3
203.03294	0.2
205.04846	0.5
219.02917	0.3
219.06349	0.4
229.04935	7.9
237.18597	0.3
247.05969	1.3
255.06526	1.0
257.04373	5.1
273.07523	0.3
274.04584	1.7
275.05612	0.3
285.03922	2.2
303.04941	100.0
304.05389	0.8
309.03625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22388	1.7
54.49109	1.7
55.05505	29.9
56.96566	11.4
57.07071	15.4
59.04982	3.2
65.03959	2.3
67.05495	19.5
69.03407	10.2
69.07067	23.0
71.04994	20.1
79.05473	17.9
81.03415	2.5
81.07042	74.8
83.04977	2.8
83.08608	25.3
85.02904	19.7
85.06529	13.4
91.05469	15.0
93.07029	77.9
95.04950	10.5
95.08591	55.6
95.09192	2.2
97.02881	2.3
97.06520	11.6
97.10162	31.4
98.01688	1.8
99.04481	1.9
99.08099	3.5
105.07030	34.7
107.08577	81.7
109.06502	10.4
109.10139	38.5
111.08032	3.9
115.11219	2.4
117.07043	2.1
118.31512	1.8
119.08572	28.3
121.06422	2.8
121.10124	91.7
122.10468	1.9
123.08086	7.6
123.11674	32.8
125.09608	9.2
127.11199	8.4
131.08565	11.6
133.10112	42.1
135.08038	3.8
135.11661	30.7
137.09625	8.0
139.07532	15.9
143.10617	3.2
145.10126	23.2
147.11682	10.9
149.09583	9.1
149.13217	4.3
151.11176	11.1
153.09070	19.3
155.10628	10.9
159.11687	17.6
161.13246	17.7
163.11163	3.7
167.10658	11.6
173.13232	2.3
175.14819	14.1
177.12735	4.4
177.16350	100.0
181.12207	16.2
191.14200	2.2
191.17906	14.5
195.17194	2.2
201.16258	20.8
219.17416	51.4
237.14777	3.6
237.18466	85.1
255.19530	51.0
294.50122	2.5
416.84140	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	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.6
53.03965	1.6
55.01866	2.3
55.05507	15.3
57.03436	3.2
57.07072	3.4
59.04985	2.0
61.02929	2.4
67.05490	19.6
68.29630	1.4
69.03413	10.3
69.07056	21.2
71.04980	49.9
73.06538	3.1
74.20125	1.7
79.05481	22.9
81.03408	2.9
81.07041	62.8
82.07425	1.7
83.04967	3.1
83.08601	9.5
85.02902	23.3
85.06534	11.2
91.05458	27.9
93.06436	1.6
93.07026	54.3
95.04950	8.9
95.08592	54.4
97.02901	6.4
97.06513	9.1
97.10143	3.8
99.08056	10.8
105.07021	74.8
105.38691	1.6
107.08588	48.9
109.06503	9.2
109.09375	2.5
109.10131	33.5
111.08073	2.8
117.06979	12.0
119.08566	35.8
120.08891	1.6
121.06457	2.5
121.10130	34.9
123.08048	3.6
123.11688	11.3
125.09590	25.8
127.03898	1.9
127.07499	1.8
127.11176	7.4
131.08562	23.2
133.10112	100.0
135.07991	3.7
135.11682	9.7
137.09630	1.8
143.10661	41.2
144.09215	1.9
145.05020	2.2
145.10095	40.4
147.11667	23.8
149.13219	24.2
151.05336	1.7
151.11172	9.5
155.10626	2.2
157.10110	1.9
159.11676	27.9
160.30307	1.5
161.13226	20.5
163.11174	9.3
163.14784	2.2
164.03387	1.5
167.14279	46.3
169.12181	1.7
173.13249	9.2
175.14813	3.0
177.12712	2.7
189.16309	2.5
190.29732	1.7
191.17905	2.3
201.16365	42.6
203.17990	2.9
219.15309	3.0
219.17426	82.8
236.17300	1.9
237.14806	2.8
237.18527	23.7
381.22583	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.00301	0.3
53.03938	0.8
55.01867	0.5
55.05501	2.3
55.93818	0.3
56.96557	0.4
57.07069	0.5
59.04989	0.3
59.33604	0.3
65.03919	0.5
67.05498	3.6
69.03419	0.6
69.07066	1.8
70.06564	1.4
71.04980	1.4
77.03902	0.5
79.05486	3.9
79.70378	0.4
81.07036	6.3
83.04971	2.5
83.08608	0.5
84.34651	0.3
84.55694	0.3
85.02895	3.7
85.06535	0.5
91.05463	8.3
92.05808	0.3
93.07028	7.7
95.04950	4.7
95.08595	3.3
97.06512	0.6
99.04431	0.5
103.05456	52.6
103.42231	0.3
105.04487	0.4
105.07015	5.6
106.07385	0.3
107.04931	0.4
107.08061	0.3
107.08591	4.2
109.06522	3.3
109.10133	1.8
111.08040	0.4
115.05435	0.4
116.38893	0.3
117.06990	2.1
119.08553	3.5
120.08920	0.3
121.06481	1.4
121.10118	2.4
123.08054	0.6
123.11686	0.5
128.06241	0.5
129.06981	0.5
131.04913	100.0
131.08540	3.4
132.05223	0.4
133.10110	3.3
133.26634	0.3
135.08049	2.5
135.11661	1.3
137.05948	0.4
137.09589	4.7
141.09073	2.6
143.08566	0.8
145.10098	2.6
147.08044	0.6
147.11716	1.0
149.09599	2.7
151.11195	0.4
157.10138	1.3
159.08124	0.7
159.11639	1.4
161.09570	0.8
161.13287	0.5
163.11171	1.4
171.11681	0.4
173.09689	0.4
173.13200	0.4
175.11150	0.4
177.09123	0.4
183.11610	0.3
185.13306	0.6
189.12672	0.5
191.14281	0.4
227.21060	0.4
231.10095	0.4
233.15312	0.6
284.29462	0.4
328.32013	2.1
372.34613	0.4
434.38409	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28258	0.6
53.03949	0.7
55.01858	1.6
57.03428	32.3
59.04992	6.4
60.04519	1.3
61.02919	5.5
66.75420	0.7
69.03417	94.9
71.04977	0.9
73.02892	4.6
73.15255	0.8
75.04468	3.5
79.05478	0.7
81.03396	4.1
85.02892	100.0
87.04453	56.9
91.03931	1.7
93.03973	0.8
97.02873	68.8
99.04446	2.8
101.02374	0.7
103.03941	1.0
105.07018	11.7
108.25565	0.7
109.02867	4.4
110.97729	0.7
115.03913	62.9
117.06977	0.8
119.08636	0.7
127.03909	12.7
129.07033	1.0
133.04948	51.5
139.24854	0.6
143.08533	0.7
145.04944	19.7
147.08049	1.2
150.07614	7.0
163.06010	8.0
169.05013	0.7
189.09070	1.4
195.02951	0.8
201.08961	0.9
234.70749	0.8
259.08090	2.9
262.99945	0.7
277.09213	2.9
285.13281	3.3
295.10181	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	434.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64338	1.1
53.00285	1.6
53.03944	1.0
53.28562	0.8
55.01854	7.3
55.05509	17.5
57.03423	4.5
57.07083	2.0
59.04972	1.3
61.02903	1.5
61.52841	1.2
67.05498	31.1
68.13639	1.0
69.03403	6.9
69.07056	11.3
71.04978	100.0
71.73756	1.1
79.05473	60.5
81.03425	2.1
81.07044	22.6
83.04468	2.1
83.04965	58.8
83.08593	5.1
85.02896	15.8
85.06532	6.1
85.23594	1.2
87.04412	1.8
91.05474	14.4
93.07021	52.6
95.04947	7.7
95.08591	20.5
95.49687	1.6
97.02877	4.4
97.06500	10.2
97.10114	1.1
99.04436	38.6
105.07015	19.8
105.86124	1.3
107.04924	2.7
107.08555	15.3
109.02898	2.1
109.06526	2.0
109.10139	9.8
111.08014	2.1
114.38493	1.4
117.05504	1.8
117.06973	2.7
119.08571	16.9
121.06487	2.8
121.10125	28.9
123.04433	1.2
123.08031	6.0
123.11647	2.7
125.09604	2.0
127.03837	2.7
129.05453	1.2
130.07768	1.4
131.08553	10.0
133.10086	8.2
135.08015	2.3
135.11655	5.0
139.11145	28.6
145.10126	19.0
147.11696	2.1
149.13272	2.5
151.11154	2.5
155.08495	1.8
157.10115	1.8
159.11676	14.9
161.13219	8.8
163.11116	4.6
173.13203	6.0
175.14803	1.7
177.09120	2.1
179.14273	1.3
189.16319	1.4
191.17896	1.5
201.12659	2.1
201.16350	10.2
219.13771	5.7
219.17450	18.6
221.22528	1.2
237.14836	5.7
237.18376	5.0
243.08633	2.5
256.22925	1.3
261.09552	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01627	0.9
55.01867	16.0
57.03431	32.0
59.04982	3.7
61.02916	15.8
67.05499	0.9
69.03419	35.6
71.01339	6.5
71.04989	2.4
72.04496	1.3
73.02902	45.4
79.05471	7.9
81.03393	7.3
84.04515	0.6
85.02891	100.0
87.04465	6.5
89.03872	1.1
91.03931	3.7
91.05429	0.8
93.07021	1.6
95.04955	1.0
95.08549	0.8
97.02871	49.1
99.04466	5.2
103.03906	4.4
105.03370	5.5
105.07037	1.3
107.04940	4.1
107.08556	0.8
109.02843	6.9
115.03911	20.1
117.03339	1.5
119.04922	1.0
121.06458	0.9
123.04408	16.6
127.03891	21.0
131.04918	3.4
131.08517	1.3
132.06551	1.6
133.04945	23.3
135.04378	6.3
135.08095	0.8
144.06511	1.6
145.02890	4.3
145.04941	24.5
145.10074	1.5
147.04411	1.1
148.05164	1.1
150.07574	1.5
152.07089	0.6
163.02516	1.0
163.03876	27.5
163.05966	10.6
163.07382	1.3
180.08626	1.0
195.06349	0.9
223.05917	1.2
230.78293	0.7
241.07060	2.9
255.12326	1.0
259.08051	1.1
285.09692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65222	1.6
55.01864	3.2
55.60400	1.5
57.03431	3.9
60.25889	1.8
61.02924	3.2
67.05495	14.7
69.03397	4.0
71.04948	1.6
78.94450	1.5
79.05459	1.9
81.07047	1.7
83.04958	15.9
85.02890	10.0
91.05477	3.1
95.04974	7.7
95.08585	2.4
97.02844	3.1
100.93355	1.6
101.05995	20.1
103.05462	7.7
105.06998	32.5
107.65097	1.9
113.05981	100.0
115.05454	10.2
117.07000	4.0
119.08575	3.6
120.34285	2.0
123.04550	1.7
124.85381	1.7
127.03878	2.9
129.06979	13.1
131.04913	32.5
131.07001	3.7
131.08565	3.3
132.04459	2.1
133.06464	30.6
135.03065	1.8
137.05946	9.9
137.71205	1.9
145.06438	4.2
145.10150	8.8
147.08081	2.9
153.01878	3.5
157.06470	19.3
159.08005	2.1
159.11621	2.4
161.05936	53.8
163.07513	4.1
167.06976	12.3
171.46849	1.9
172.05186	4.0
172.07593	2.1
173.05986	2.3
174.06798	4.3
175.07405	2.5
177.05373	2.2
181.04938	6.9
183.25464	1.9
185.06018	2.3
186.03160	2.0
187.03925	3.5
189.05450	2.2
189.09032	12.6
191.07065	4.3
193.08559	27.4
197.08047	13.2
198.75519	2.1
201.05432	3.7
201.16360	3.8
203.06966	3.0
214.02602	3.2
216.04211	3.4
217.08557	4.0
219.10133	4.2
219.17398	2.5
229.04904	8.9
231.06490	12.7
232.03648	6.6
233.08087	9.2
234.05116	2.2
243.06549	3.3
244.03638	2.3
245.04497	2.6
245.08051	2.7
247.05952	30.4
249.07524	3.2
259.05893	15.5
261.07556	12.0
263.09198	3.9
271.06009	7.7
272.11179	4.0
272.82889	1.9
273.07538	10.9
280.85876	1.7
289.07025	10.0
291.08679	2.4
301.06946	7.2
303.08612	3.0
319.08151	2.6
321.09644	4.1
349.09174	6.6
363.19498	1.9
381.11612	17.6
399.12820	13.3
433.16592	3.6
434.16830	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91428	0.4
53.03930	1.0
54.81947	0.5
55.01625	0.7
55.01868	10.7
57.03432	19.4
59.04985	2.8
61.02917	12.8
67.91135	0.4
68.58788	0.4
69.03417	27.6
71.01347	5.1
71.04962	2.4
72.04505	1.0
73.02905	25.3
81.03396	6.4
83.01295	0.5
85.02893	100.0
87.04467	4.4
87.50151	0.5
89.08545	0.5
91.03935	5.0
97.02875	33.5
99.04443	4.8
101.02374	0.7
103.03940	2.7
105.07015	11.1
105.07667	0.8
109.02872	6.3
114.05457	0.4
115.03900	11.2
117.06996	0.8
119.08584	1.0
127.03897	22.0
129.07005	0.8
132.06546	2.7
133.04948	12.3
144.34174	0.5
145.04939	28.0
147.08020	1.2
150.07654	2.1
163.05988	12.4
201.09111	2.1
219.10284	0.7
223.05945	0.6
231.10202	1.1
241.07089	0.6
249.11108	0.6
259.08163	1.9
274.26993	0.5
277.09363	0.6
285.13361	4.9
306.83685	0.5
375.33185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.7
53.03946	1.1
53.48168	0.8
54.81816	0.8
55.01873	1.6
55.05501	5.6
57.07065	3.7
67.05496	12.4
69.03427	4.3
69.07059	13.3
71.04982	16.2
71.08622	1.4
79.05480	14.0
81.03382	1.0
81.07043	23.9
83.04977	4.1
83.08603	1.9
85.02936	0.9
85.06537	16.0
90.80191	0.8
91.05464	18.3
92.05717	0.8
93.07030	23.5
95.04946	10.4
95.08594	12.8
97.06505	4.0
99.08059	0.9
103.05508	3.1
105.07020	37.3
106.07343	1.0
107.04942	3.5
107.08579	25.2
109.06519	10.1
109.10149	8.2
109.65331	0.7
111.04464	4.3
111.08055	1.9
115.05466	1.7
117.07004	10.4
119.08575	36.5
121.06499	37.9
121.10128	8.2
123.04212	1.0
123.08064	4.1
123.11702	4.3
127.07527	1.8
128.06184	1.5
129.06990	3.5
130.07777	5.1
131.04900	1.3
131.08563	16.7
133.06419	1.3
133.10104	13.0
135.08040	53.4
135.11676	9.8
135.83899	0.8
137.06023	1.6
137.09608	1.3
137.13307	0.9
139.07536	1.0
142.07808	1.1
143.08578	6.2
145.10121	100.0
147.08069	4.9
147.11734	3.8
149.09561	9.5
151.11159	3.2
155.08525	1.5
157.10146	5.7
159.11685	22.7
161.09578	5.1
161.13310	1.3
163.11203	3.5
165.09171	1.0
169.10187	0.8
171.11601	1.9
173.13278	1.1
175.11142	1.0
175.14804	2.1
177.12840	0.9
179.10663	1.0
187.11247	1.4
187.14786	1.5
189.12775	1.4
191.17914	7.9
193.08569	2.1
197.13185	1.0
201.16382	22.2
203.14272	1.0
217.15831	1.2
219.17427	11.6
364.37897	1.0
415.24313	1.7
433.25626	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01846	0.5
68.40438	0.1
68.99784	0.4
69.03399	0.1
69.07047	0.1
71.04949	0.1
73.87304	0.1
81.07038	0.2
81.51634	0.1
85.02913	0.1
85.06496	0.1
91.05460	0.4
92.08672	0.1
93.06992	0.3
95.04929	0.4
95.08591	0.1
105.07027	0.4
107.08595	0.4
119.04145	0.1
119.04924	2.5
119.08562	0.6
121.02816	0.6
121.10117	0.2
126.89528	0.1
129.60120	0.1
133.10101	0.2
135.11676	0.1
136.13988	0.1
145.02814	0.7
153.01805	5.5
159.28816	0.1
163.03857	0.4
164.76578	0.1
169.06487	0.1
171.02885	0.7
175.14732	0.1
177.41710	0.1
187.03922	0.1
203.06955	0.2
217.15814	0.1
225.05429	0.4
229.04839	0.2
235.16809	0.1
243.06491	0.3
253.17903	0.1
271.05963	100.0
272.06332	1.6
370.13931	0.1
433.11270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
55.05499	2.5
55.46981	1.6
58.82618	1.4
64.94745	1.5
79.05458	1.7
81.03355	2.6
81.07041	2.4
85.02891	3.7
91.05491	3.3
93.07013	10.6
97.06584	1.6
105.07007	3.5
106.67037	1.8
107.08530	3.7
109.02912	1.7
109.06483	2.8
109.10223	1.6
119.04917	2.6
119.08548	4.2
121.02841	18.5
131.04886	1.8
143.08540	1.9
159.11609	2.5
165.01822	9.5
167.03365	2.2
179.03479	1.9
183.02861	2.3
187.03969	2.3
213.05470	3.1
255.06497	3.8
256.07248	9.5
267.06381	3.5
271.05811	2.6
281.07770	2.0
283.05975	98.9
284.06677	38.2
285.07443	1.9
295.06052	19.2
297.07504	13.1
308.06775	2.2
309.07635	14.8
313.07022	100.0
323.09097	24.7
325.06845	4.0
337.07095	22.7
343.08163	3.0
349.07056	4.4
351.08566	7.1
367.08185	12.7
379.08167	12.3
397.09222	16.5
415.10150	23.9
433.11179	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03933	0.2
55.01856	0.2
57.03420	0.4
61.02915	0.7
67.01849	0.6
68.99462	0.1
68.99790	0.4
69.03415	1.1
71.04983	0.1
73.02898	0.1
78.29282	0.1
79.05449	0.1
81.03403	0.6
85.02893	3.1
91.03932	0.1
91.05446	0.4
92.09338	0.2
93.06998	0.1
97.02880	1.2
99.04407	0.1
105.07043	0.1
109.02847	0.2
119.04914	2.7
119.05704	0.2
121.02827	0.9
127.03909	0.4
129.01833	0.1
137.45232	0.1
145.02806	0.8
149.36183	0.1
153.01807	6.4
161.62039	0.1
163.03873	0.6
169.06488	0.1
169.19525	0.1
171.02823	0.7
173.05948	0.1
187.03789	0.1
225.05420	0.4
229.04863	0.4
243.06384	0.4
271.05948	100.0
272.06290	1.4
283.05957	0.1
325.40601	0.1
448.25754	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
54.81855	1.3
55.01855	9.0
55.05507	12.4
56.96555	5.9
57.03421	1.5
57.07064	1.5
58.84579	1.0
59.04977	1.8
60.95850	1.1
61.02962	1.2
65.03929	1.2
67.05500	15.8
69.03413	6.4
69.07050	7.1
69.10966	1.2
71.04970	7.6
78.56953	1.2
79.05472	20.9
80.05828	1.4
81.07037	30.0
83.04958	8.2
83.08617	2.5
85.02888	2.3
85.06519	2.7
91.05461	41.2
92.05782	2.2
93.07024	63.1
94.07357	7.5
95.04941	26.2
95.08603	14.9
96.08920	1.2
97.06498	6.7
99.04443	1.9
103.05443	2.4
105.03375	22.9
105.04478	2.5
105.07011	63.9
106.07415	1.9
107.04909	1.3
107.08575	25.4
108.08939	1.3
109.06512	8.2
109.10158	8.1
111.08066	14.5
114.92100	1.2
115.05441	2.6
117.07005	15.2
119.08559	53.0
121.06494	8.3
121.10135	9.4
123.04399	6.2
123.08028	7.3
123.11691	2.2
128.06165	11.0
129.06975	28.1
130.07747	6.4
131.04880	3.2
131.08546	32.4
132.94905	1.3
133.06458	5.3
133.10092	24.8
134.08122	1.3
135.08032	8.7
135.11661	2.8
137.05948	3.0
137.09613	2.5
139.03905	1.6
141.06963	17.4
142.07765	66.0
143.08549	20.1
144.09320	11.8
145.05443	1.3
145.06467	10.4
145.10104	32.7
147.08067	9.8
147.11668	83.2
149.09593	7.9
151.07538	6.6
151.11174	2.8
152.06180	2.3
153.06998	2.6
154.07770	8.0
155.08539	16.7
156.09314	13.5
157.06490	8.5
157.10103	96.8
158.07262	6.1
159.08028	34.5
159.11668	39.1
160.08842	15.8
161.09560	10.2
163.07541	1.8
163.11137	4.6
165.06961	1.7
167.08540	6.1
169.10059	15.9
170.07260	2.8
171.07982	13.2
171.11668	2.3
172.08803	66.5
173.09561	30.9
173.13229	1.7
174.10364	21.2
175.07516	5.3
175.11148	100.0
177.09125	2.3
177.12743	2.5
183.08080	7.9
185.09590	31.0
187.07547	2.9
187.11143	35.5
188.08293	8.6
189.09120	2.5
191.10606	2.9
195.07994	5.3
197.13176	2.2
201.09082	23.7
203.10612	15.3
205.08504	1.8
205.12144	1.9
213.09070	32.6
217.15778	2.4
219.10136	14.2
221.11618	1.7
229.08582	10.9
231.10123	33.1
247.09517	9.4
249.11166	19.8
257.07962	2.7
265.10565	3.1
275.09174	13.2
277.10489	1.5
293.10175	18.2
350.24597	1.4
397.24002	1.6
425.40527	1.4
433.25632	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	432.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11462	3.4
64.59503	3.6
67.05473	4.3
67.29983	3.5
79.05484	24.7
79.56944	3.2
81.07040	100.0
91.05453	16.2
93.07027	50.0
94.01105	3.0
95.08602	8.0
105.07017	43.9
107.08594	38.2
107.66706	3.5
109.10175	5.1
111.04442	27.0
119.08529	15.4
121.06467	6.3
121.10105	34.2
123.04484	4.0
123.08073	4.8
133.08498	4.1
133.10147	35.2
140.04181	3.6
143.08563	5.8
146.07214	4.2
161.09589	50.9
173.78899	3.7
179.10655	52.9
183.32033	3.8
376.33658	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	432.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14463	1.3
52.13518	1.2
53.00092	1.4
53.03938	2.1
55.05497	2.1
56.94743	1.4
61.62570	1.3
62.42710	1.3
67.05481	8.3
69.03413	3.5
69.07058	3.8
72.50388	1.4
79.05486	19.6
81.07040	100.0
87.25386	1.7
91.05476	15.0
93.07021	48.5
95.04957	2.5
95.08579	10.2
97.02859	3.0
105.07008	38.6
107.08569	25.8
109.06499	2.8
111.04433	24.4
117.06997	2.1
119.08561	7.6
121.06484	3.7
121.10110	33.0
123.08051	6.4
123.11710	2.6
128.06172	3.1
131.08542	3.6
133.10118	39.1
135.08046	3.4
143.08575	6.6
145.10103	2.5
146.07230	3.7
151.11145	3.1
161.09598	46.6
179.10638	54.2
179.12126	3.1
219.17441	7.1
222.53596	1.7
232.38083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.81337	1.2
55.01861	2.6
55.05515	9.0
56.96560	12.0
57.03424	2.0
59.04981	1.3
61.02918	5.1
65.03907	1.5
67.05497	16.6
69.03419	9.1
69.07062	8.4
69.63565	1.1
71.04987	3.0
73.02890	1.1
77.71448	1.1
78.98212	1.4
79.05472	16.5
80.99802	1.1
81.03407	2.5
81.07043	100.0
83.04989	1.8
83.08577	1.8
85.02897	25.9
91.03944	1.5
91.05460	21.3
93.07027	32.1
95.04964	9.7
95.08592	46.0
97.02850	9.2
97.06521	5.6
97.10141	1.3
99.04433	5.2
105.07020	43.7
107.08578	33.0
109.02898	3.0
109.06483	6.5
109.10143	17.7
111.08086	7.0
117.07011	3.2
118.02561	1.5
119.08569	48.7
121.06531	1.9
121.10139	14.4
123.08072	2.6
123.11683	11.6
125.09647	2.7
127.03879	1.8
127.07551	1.4
129.07033	1.5
131.08521	10.6
133.10114	39.5
135.08069	2.3
135.11664	12.2
137.05968	2.7
137.09641	1.4
142.07790	1.9
143.08591	5.7
145.04977	2.0
145.10115	5.4
147.08015	2.1
147.11662	15.6
149.13251	2.7
149.99181	1.3
151.07559	1.9
153.09137	5.3
157.10088	7.3
159.11670	7.4
161.09607	5.5
161.13248	37.1
173.13245	1.7
175.11212	5.7
175.14835	2.8
177.09052	1.3
179.10498	1.8
179.14319	5.1
182.13068	1.2
189.16360	51.1
199.14850	6.6
207.17508	5.4
217.15837	20.3
235.16859	40.1
235.19046	2.0
244.03685	1.4
253.17918	5.2
392.07666	1.4
453.16608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86263	0.7
52.27806	0.7
53.03939	3.7
55.01858	0.8
55.05495	7.1
56.96548	7.1
57.03428	1.2
59.04985	1.5
62.53768	0.9
67.05492	13.8
69.03410	5.1
69.07056	8.1
70.66034	0.8
71.04971	1.5
74.34735	0.8
79.05476	16.7
81.03411	1.7
81.07038	100.0
83.04945	3.7
83.08618	3.6
85.02887	12.8
85.06532	1.2
85.15525	0.8
91.05462	15.5
93.07023	30.5
95.04952	6.7
95.08585	42.2
97.02866	4.3
97.06510	5.6
97.10159	2.0
99.04414	1.4
99.08108	1.0
105.07012	35.7
107.07882	1.0
107.08574	25.3
109.06512	5.8
109.10138	16.9
111.08038	1.8
117.07034	1.3
119.08563	39.8
121.06524	1.9
121.10111	14.6
123.08063	2.2
123.11684	14.2
125.05919	0.9
125.09613	1.8
127.03932	1.0
129.06979	1.4
131.08527	6.5
133.10098	27.1
135.07979	1.5
135.11670	15.7
139.07536	1.7
143.08553	1.3
145.10127	3.8
146.99602	0.9
147.07985	1.5
147.11668	17.1
149.13237	6.1
151.07544	5.5
151.11200	1.1
152.07826	1.5
153.09091	3.8
157.10106	5.6
159.11644	5.2
161.09616	3.5
161.13220	32.9
163.11200	1.1
173.13263	1.1
175.11185	2.1
179.10680	1.5
189.16354	70.2
199.14764	2.3
205.19475	1.2
217.15836	16.8
235.16922	23.8
249.35291	1.1
258.11438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08430	1.1
53.03941	2.6
54.26302	1.6
55.01866	7.0
55.05268	1.6
55.05501	12.5
55.53325	1.4
56.96567	2.3
57.03425	2.5
57.07064	1.4
59.04985	1.6
61.02912	6.5
67.05493	25.9
69.03419	16.0
69.07053	11.0
71.04977	14.3
73.02889	2.7
79.05479	40.0
81.03397	2.8
81.07043	100.0
83.04975	29.3
83.08625	1.5
85.02892	37.1
85.06544	2.4
86.46996	1.4
87.04480	1.5
91.03964	1.6
91.05463	39.4
92.09090	1.5
93.07031	68.4
95.04944	17.5
95.08596	59.0
97.02893	13.3
97.06514	13.8
97.10143	5.6
99.04445	3.3
105.06362	3.2
105.07022	61.3
107.04999	1.4
107.07844	3.2
107.08579	53.1
109.02856	2.3
109.06516	11.3
109.10150	24.8
111.08086	10.4
113.05941	2.2
117.07014	7.3
119.04872	1.6
119.08569	49.5
121.06494	9.4
121.10118	30.5
123.08051	19.1
123.11707	8.2
125.09641	10.6
127.03866	5.4
128.06195	1.6
129.07007	9.8
131.08568	36.6
133.10114	34.0
135.08086	5.6
135.11707	13.0
137.09642	2.5
142.07788	7.6
143.08519	17.5
144.09355	2.0
145.10118	13.2
147.08014	6.1
147.11705	16.8
149.09630	33.1
149.13277	2.1
153.09085	2.8
157.10121	22.2
159.11678	23.0
161.09602	9.5
161.13231	48.8
163.11140	1.8
167.10643	5.7
170.72729	1.6
171.11618	6.5
173.13219	2.3
175.11201	2.5
175.14836	3.4
179.06941	1.6
179.14320	19.3
189.12741	8.9
189.16351	29.4
199.14850	15.3
207.17456	10.0
209.64629	1.4
212.53728	1.4
217.15849	28.2
235.13329	5.3
235.16904	44.2
235.19060	3.0
248.78677	1.6
253.17917	6.0
270.11499	1.7
345.09332	1.5
364.89417	1.5
397.21973	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	432.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33617	0.1
59.04976	0.2
69.03408	0.2
69.07048	0.8
79.05467	0.7
81.03420	0.2
84.70456	0.1
85.02897	0.4
87.08074	0.3
91.05487	0.2
93.07018	0.8
97.02892	0.3
103.05454	4.7
105.09113	0.2
105.24843	0.2
107.04930	2.2
120.08085	100.0
121.08421	1.4
131.04901	2.7
136.25604	0.2
149.05966	1.7
156.13597	0.2
161.09584	0.2
166.08607	27.1
167.08960	0.2
177.24710	0.2
324.79803	0.1
341.64282	0.2
381.76608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68014	1.3
51.93597	1.4
53.03930	3.4
53.64743	1.3
55.01863	2.8
55.05503	17.3
56.96568	16.9
57.03404	2.3
57.07065	2.0
59.04986	2.0
67.05490	27.0
67.97372	1.7
69.03410	10.2
69.07055	20.6
71.04964	3.8
73.02918	1.8
76.48965	1.6
79.05473	30.7
81.03416	3.2
81.07041	100.0
82.07352	1.5
83.04964	2.8
83.08601	6.4
85.02885	14.9
85.06503	2.9
91.05458	33.3
93.07024	66.8
95.04943	12.0
95.08006	3.3
95.08586	79.6
97.02875	3.9
97.06499	10.3
97.10149	8.1
105.06362	3.2
105.07014	54.0
107.08584	56.5
109.02856	1.8
109.06492	9.9
109.10148	37.9
111.08038	9.4
111.11717	2.8
113.09615	8.6
119.08555	67.7
121.06499	8.7
121.10105	27.5
123.08056	9.4
123.11694	14.9
125.05984	6.0
125.09592	2.6
127.03864	1.8
131.08521	8.3
133.06482	2.0
133.09119	2.3
133.10110	60.1
135.08035	2.4
135.11674	34.8
139.07524	14.3
139.11148	8.0
142.07806	2.1
143.08482	4.1
145.10086	9.2
147.08070	2.6
147.11667	30.8
149.13245	6.8
151.07503	16.5
151.11189	3.4
153.09103	2.3
157.10123	7.9
159.11664	6.1
161.09555	3.7
161.13243	22.7
164.88597	1.5
173.13191	2.4
175.11107	3.1
175.14795	3.8
177.09068	1.8
179.10631	7.9
189.16360	95.5
191.10689	2.2
199.14786	9.3
201.04341	2.3
205.12117	2.3
205.59280	2.3
207.17427	12.6
217.15854	26.5
235.16899	53.7
253.17914	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	431.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05976	1.2
51.78242	1.2
53.00301	1.9
55.01871	2.1
55.05506	57.5
57.03437	11.2
57.07068	70.6
67.03101	1.1
67.05496	27.2
69.03413	1.9
69.07056	87.4
70.50908	1.1
71.04986	2.4
71.08615	43.2
71.09856	1.4
79.05475	17.4
79.27210	1.2
81.07038	47.4
83.04979	3.3
83.08609	63.1
85.03758	1.4
85.06522	2.1
85.10168	21.2
91.05483	6.0
92.08690	2.4
92.64641	1.2
93.07019	28.8
95.08583	43.7
97.06490	15.6
97.10151	37.5
101.05993	1.8
105.07018	6.3
107.08584	23.8
109.10120	22.3
111.08078	8.0
111.11721	9.7
115.07511	2.0
115.21032	1.4
119.08528	2.8
121.10124	30.8
123.11678	6.1
125.09612	8.2
125.16849	1.4
129.09128	2.5
131.08586	2.2
135.11665	18.7
137.13258	2.1
139.07570	1.9
139.11197	8.7
139.59018	1.4
143.10683	1.6
149.13197	13.8
151.14792	1.7
153.12733	8.5
157.12177	1.4
163.14769	7.6
167.14355	3.2
177.16454	3.2
181.15884	2.0
191.17949	1.9
195.17448	1.7
196.85103	1.4
205.19569	1.8
209.18991	2.2
213.18422	1.8
219.20982	2.7
265.25235	1.6
303.30310	13.0
321.31378	21.9
395.35147	9.5
413.36169	100.0
414.37625	1.5
431.30237	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	431.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81603	1.4
55.01864	2.1
55.05507	8.3
55.76520	1.3
56.18334	1.4
57.07049	2.6
60.09435	1.3
67.05484	6.5
69.03407	1.6
69.07065	11.2
71.04963	1.5
76.83328	1.2
79.05476	23.1
81.07043	35.4
83.08614	5.9
86.43767	1.5
88.70789	1.4
89.07481	1.3
91.05474	22.3
91.47871	1.4
91.81883	1.5
93.07028	29.2
95.04947	3.6
95.08595	27.1
97.06535	2.6
97.10130	2.3
103.05454	12.2
105.06360	2.9
105.07021	49.5
107.04948	100.0
107.08582	34.6
109.06525	6.8
109.10140	17.1
111.08094	1.9
115.05441	7.9
117.07016	8.2
118.04092	1.8
119.04925	2.7
119.08585	15.5
120.05732	3.4
121.06466	8.1
121.10132	21.4
123.08055	3.2
131.08569	3.3
133.06473	21.1
133.10123	10.0
134.72232	1.6
135.08040	39.9
135.11696	18.4
137.05972	8.8
137.09633	1.6
137.13252	3.5
139.07539	8.1
140.30029	1.6
142.14668	1.6
143.08575	2.7
145.10109	17.6
147.04427	6.5
147.11694	7.6
148.05196	2.5
149.06039	1.6
149.09665	2.5
149.13176	2.2
150.06786	5.9
151.07506	2.8
151.11182	1.9
153.09114	2.1
159.11703	11.8
161.05994	1.6
161.13255	7.7
163.07523	63.8
163.11128	7.3
165.05449	6.4
165.09096	11.9
167.07076	6.1
175.14781	7.3
177.09029	1.4
178.09972	2.2
179.07088	3.4
180.07796	40.2
189.16492	1.4
191.17902	10.9
193.08572	50.9
194.09354	11.1
195.10146	74.1
195.13824	9.3
196.10612	1.6
201.16364	10.9
205.12207	3.5
219.17403	18.6
237.18437	16.2
251.86287	1.5
254.54018	1.7
273.47946	1.5
325.81308	1.9
371.67517	1.7
383.52979	1.9
413.26556	3.7
431.30716	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	431.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55652	1.0
52.47932	1.0
53.03942	1.6
54.81777	1.1
55.01854	2.0
55.05491	9.2
57.03418	2.8
57.07055	2.9
64.86995	1.3
65.03929	1.4
67.05483	9.4
69.07050	15.5
70.45237	1.4
71.04957	2.2
79.05470	19.3
81.07028	27.9
83.08606	5.9
85.06522	1.3
85.15888	1.1
91.05441	23.5
93.07009	31.4
95.04928	5.4
95.08575	26.3
97.06519	2.4
97.10117	1.3
103.05457	11.1
104.98479	1.1
105.07011	61.9
105.94982	1.4
107.04936	68.5
107.08566	39.4
109.06465	4.5
109.10134	21.2
110.76611	1.3
115.05430	7.3
117.07009	7.6
118.04151	1.6
119.04932	3.2
119.08558	18.8
120.05687	3.1
121.06482	9.1
121.10130	19.3
123.08028	2.2
123.11674	6.8
124.05238	1.3
131.04889	1.7
131.08554	9.0
133.06453	28.4
133.10080	12.8
135.04475	2.6
135.08022	40.8
135.11674	20.4
137.05939	11.3
137.09566	2.4
137.13237	6.3
139.07506	5.1
141.44301	1.5
143.08450	2.6
145.10095	19.3
145.73114	1.5
147.04370	2.5
147.08025	2.1
147.11635	11.2
148.05254	2.2
149.09593	3.1
149.13242	7.7
150.06718	10.5
151.07521	6.5
151.14636	1.6
157.10063	1.8
159.11642	11.2
161.13260	2.1
163.07495	48.3
163.11171	6.4
165.09064	22.9
165.12593	1.8
167.06972	1.9
173.13315	1.9
175.14763	11.4
179.07030	2.6
180.07764	30.7
191.17915	24.8
193.08553	100.0
194.09335	13.4
195.10135	51.6
195.13795	6.2
195.99597	1.6
201.16333	12.7
219.17401	27.2
234.29102	1.4
237.18382	15.4
431.30826	9.0
454.94724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
54.21451	1.5
55.01846	1.2
55.05507	10.8
57.03414	3.3
57.07060	6.6
67.05495	16.2
69.07059	19.4
71.04962	5.9
72.32621	1.2
74.91588	1.4
77.74388	1.3
79.05482	20.7
81.07043	58.3
83.04973	2.2
83.08620	10.2
91.05458	21.2
92.09277	2.8
93.03416	1.4
93.07033	48.2
95.04943	3.1
95.08005	2.7
95.08592	56.5
97.06495	6.0
97.10148	3.3
99.72520	1.4
103.05453	25.8
105.07032	52.3
107.04970	20.5
107.08587	61.7
109.06532	11.0
109.10157	31.9
111.08060	1.9
115.05429	3.0
117.07001	8.6
118.04150	13.6
119.04912	3.0
119.08572	26.8
120.05683	7.8
121.06493	19.7
121.10144	37.7
123.08058	3.2
123.11681	14.6
124.05196	6.0
125.05905	1.9
125.09614	2.0
130.07774	2.1
131.04909	5.1
131.08542	13.3
133.06485	20.4
133.10117	21.5
135.04381	1.3
135.08032	45.7
135.11678	44.0
137.05923	1.9
137.13275	12.4
139.03899	17.4
139.07440	1.7
143.08640	1.5
144.09366	1.5
145.10118	23.0
147.04391	7.2
147.11682	18.6
147.72589	1.6
149.05890	1.6
149.09613	5.5
149.13232	10.0
150.06729	6.4
151.07532	3.0
154.06235	100.0
157.10123	2.0
159.11703	25.9
161.05946	2.6
161.13232	7.6
163.07518	49.5
163.11154	12.5
163.14772	3.3
165.05449	3.3
165.09059	10.3
165.12733	7.2
167.07030	1.8
173.13225	2.7
175.14822	16.7
177.12753	6.5
177.16261	2.4
180.07797	33.4
181.12222	2.1
191.17924	55.6
193.08604	49.1
194.09315	5.0
195.10153	79.5
195.11949	2.5
195.13757	2.0
201.16389	21.9
203.23570	1.3
219.17430	58.0
237.18445	38.4
250.50667	1.4
431.30420	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71712	0.8
54.82058	1.2
55.01861	1.5
55.05495	8.0
57.03428	1.0
57.07058	4.9
59.04972	0.9
65.03903	1.6
67.05492	10.3
69.03409	2.0
69.07054	20.5
71.04958	2.1
74.25004	0.9
79.05479	14.0
81.07037	40.6
83.08588	6.5
91.05441	13.2
92.06217	1.2
93.03387	1.3
93.07027	33.9
95.04939	2.2
95.08588	34.4
97.06488	1.8
97.10146	1.8
103.05449	23.4
103.55927	1.0
105.07017	29.0
107.04935	24.3
107.08577	39.5
109.06538	3.4
109.10136	15.8
111.04383	2.2
111.08085	1.7
112.37418	0.9
115.05407	3.9
117.06975	5.4
118.04120	3.9
119.04887	4.2
119.08546	21.3
120.05697	4.9
121.06478	4.9
121.10134	24.6
123.07995	1.3
123.11668	6.4
124.05161	2.3
131.04910	7.8
131.08548	9.0
133.06516	7.0
133.07347	1.2
133.10133	11.8
134.07233	1.3
135.04416	1.0
135.08025	23.2
135.11662	24.6
135.64990	0.9
137.05943	1.8
137.13197	9.6
139.03867	16.1
139.07484	1.4
145.10097	16.3
147.04372	10.5
147.11639	6.5
148.05148	4.7
149.05966	1.7
149.09579	1.6
149.13263	5.7
150.06728	1.1
151.07466	2.1
154.06229	100.0
159.11652	16.2
161.05971	2.2
161.13216	4.1
163.07518	44.2
163.11125	8.7
163.14760	1.4
165.05450	5.9
165.09027	1.5
167.07045	1.9
173.13300	1.8
175.14748	10.2
177.12720	2.2
177.16312	8.0
180.07767	35.7
191.17928	22.0
193.08572	10.5
195.10130	80.5
201.16351	13.6
203.17923	1.3
205.12138	2.0
219.17415	25.4
237.18457	33.2
261.37305	1.0
413.26678	6.1
431.30496	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26900	1.0
53.03925	7.4
54.51083	1.1
55.01867	9.6
55.05502	18.3
57.07060	2.7
58.03728	1.3
59.04982	10.9
61.02911	2.5
67.05489	14.3
69.03421	2.0
69.07050	18.3
71.01322	2.2
71.04974	13.3
73.06541	3.3
79.05468	19.6
81.07030	26.6
83.04967	35.4
83.08590	6.0
85.02910	4.3
85.06541	12.5
87.03930	2.4
87.04439	44.9
91.05462	36.5
92.09278	2.9
93.07023	100.0
94.07319	1.6
95.04962	18.5
95.08585	22.3
97.06500	19.1
97.10159	1.6
99.08086	2.9
103.03909	6.9
105.07009	28.0
105.31213	1.2
107.08575	35.5
109.06498	6.3
109.10137	9.4
111.08051	30.4
113.09619	15.6
115.07553	5.6
117.06971	6.7
119.08542	19.5
121.06502	6.4
121.10110	7.1
123.08062	10.1
123.11668	8.9
125.09588	8.6
131.04877	1.5
131.08551	7.7
133.10132	10.0
135.08008	6.4
135.11670	18.7
141.09079	21.2
143.08563	1.6
143.10643	16.7
145.10101	20.3
147.11638	9.2
149.09604	2.0
149.13252	2.8
159.10136	62.7
159.11639	11.1
161.13211	2.2
163.11214	2.0
165.09906	1.4
177.12712	2.3
186.05826	1.3
201.16299	14.5
203.17928	20.1
204.58101	1.4
219.17349	12.2
232.16734	1.7
320.59387	1.3
365.98013	1.5
430.29877	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	430.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56964	1.0
57.07063	1.5
59.75035	0.8
61.52169	0.8
67.05489	1.1
72.39851	0.9
76.76825	0.9
81.07054	1.6
85.74158	0.9
95.08627	1.0
100.17329	0.9
104.91354	0.9
105.07040	1.1
109.10142	2.4
119.08571	2.4
121.06489	11.0
122.07273	1.1
124.56712	0.9
136.08830	14.7
137.09613	14.4
149.09608	1.6
154.60284	1.0
164.08327	30.9
165.09084	100.0
166.09413	2.3
177.09079	1.4
205.12154	6.9
215.65158	1.0
392.31351	1.0
430.37964	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
57.03424	2.5
65.03925	13.5
67.05480	4.3
72.08132	6.1
80.91442	2.4
83.04968	17.2
86.99341	2.6
91.91313	2.3
93.03385	29.4
95.04955	28.1
101.00845	11.9
111.04403	6.0
116.99379	2.6
118.08649	2.7
119.01902	100.0
121.02842	97.3
124.61987	2.7
125.04440	4.1
131.01884	4.1
137.02933	58.2
139.03880	12.5
141.03938	3.1
153.04002	9.8
154.14183	2.7
155.01801	2.8
159.04959	3.2
169.03436	35.1
171.05009	27.9
179.01871	10.1
182.73129	3.1
187.04533	11.8
193.03581	2.6
195.01414	3.2
195.05046	5.2
197.02936	94.3
211.04503	10.8
213.06163	5.2
215.03990	74.9
221.02957	34.4
233.05037	10.7
239.03947	6.0
257.05032	43.0
261.06110	3.8
273.06116	5.0
275.06088	78.9
289.05591	5.3
291.07254	5.3
299.03992	10.2
309.04602	2.8
309.08167	3.3
317.04968	10.4
334.71402	3.0
335.06155	10.8
353.07001	6.2
371.08023	19.9
389.09238	88.3
412.11060	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	430.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18360	1.0
54.82201	1.3
57.07065	2.3
58.72987	1.0
64.36655	1.2
69.07059	5.2
71.08609	2.4
71.61967	1.2
71.73746	1.3
71.83421	1.4
79.05446	9.4
81.07038	44.5
83.08581	2.0
91.05456	6.6
93.07014	11.0
95.04955	2.2
95.08578	1.3
102.24345	1.4
104.53654	1.3
105.06332	2.0
105.07005	37.5
106.81015	1.3
107.08555	17.4
109.06455	1.7
109.10143	5.0
111.04433	9.7
117.06986	2.0
117.27371	1.2
119.08555	8.5
121.06464	12.0
121.10098	2.5
123.08051	2.7
123.11638	1.5
128.06198	1.4
130.07733	1.3
131.08562	10.4
133.10103	27.4
135.08037	12.0
142.07764	1.3
143.08585	6.0
145.10094	100.0
146.07259	12.6
147.08133	1.5
151.11067	1.8
157.10068	5.9
159.11632	14.7
161.08241	2.7
161.09569	59.5
175.11137	10.2
179.10632	20.7
201.16347	48.5
217.15808	11.2
353.65063	1.3
430.30231	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81705	1.2
53.00290	1.5
53.03937	2.5
55.01866	7.1
55.05505	21.3
56.96555	1.3
57.07066	7.0
59.04989	18.4
61.02903	2.4
67.05491	15.4
69.03424	2.2
69.07055	22.8
71.01331	2.1
71.04976	16.1
73.06542	8.3
76.42418	1.2
79.05474	19.5
81.03419	1.4
81.07039	32.9
82.82304	1.2
83.04966	59.4
83.08597	7.1
85.02888	11.7
85.06526	8.6
85.25613	1.2
87.04453	69.0
91.05461	30.8
91.62572	1.2
93.07025	69.8
95.04948	21.8
95.08588	31.4
97.06511	28.5
97.10160	5.6
99.08075	8.0
103.03942	9.4
105.04488	2.0
105.07018	42.6
106.07288	1.5
107.04925	1.6
107.08578	40.1
109.06516	9.0
109.10149	15.1
111.08096	11.2
113.09637	28.6
115.07558	7.7
117.06999	11.0
119.08569	23.4
121.06441	7.5
121.10135	11.8
123.08040	12.6
123.11671	12.0
125.09614	16.5
129.06924	1.7
130.07774	2.9
131.08542	12.6
133.10103	19.2
135.08051	11.0
135.11676	25.8
136.12018	1.3
141.08075	1.9
141.09094	34.4
143.08554	2.2
143.10655	27.8
145.10117	29.1
147.07968	1.6
147.11630	10.9
149.09569	2.3
149.13254	2.8
151.11148	4.7
157.08574	1.8
157.09927	1.4
159.10149	100.0
159.11642	18.1
161.13193	5.5
163.11113	5.6
167.10651	1.5
173.13246	2.8
175.09660	2.1
175.14790	6.1
177.12703	6.7
191.17885	2.6
201.16362	18.4
203.17923	35.6
206.76683	1.5
219.17433	14.3
220.18016	2.0
222.16072	1.2
232.93889	1.3
430.29953	8.5
451.20877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01866	7.7
55.05503	7.7
57.07068	0.7
59.04983	0.9
60.10983	0.4
67.05498	5.4
69.03421	1.1
69.07050	4.5
71.04967	4.7
76.31408	0.5
77.03919	0.5
79.05079	0.7
79.05472	5.7
81.07042	10.2
83.04965	5.1
83.08607	4.7
85.06513	6.7
87.04432	4.0
91.05466	32.3
92.64014	0.7
93.07024	100.0
94.07355	0.8
95.04944	15.0
95.08582	5.2
96.08942	0.5
97.06503	2.5
105.04498	3.1
105.07012	6.7
107.08580	11.5
108.08891	0.6
109.06497	2.2
109.10129	2.0
111.08064	34.4
113.09628	0.8
119.08598	3.0
121.06470	0.8
121.10101	2.7
123.08058	2.4
123.11685	2.2
124.27365	0.6
125.09605	3.7
131.08563	1.2
133.10115	2.6
135.11638	8.8
137.09619	1.0
141.09068	1.3
143.10692	4.6
145.10104	2.0
147.08107	0.9
149.09598	1.0
151.11156	1.1
159.10156	5.6
159.11499	1.4
161.13235	0.6
177.12788	0.6
203.17966	2.6
219.17470	0.9
358.12540	0.8
429.29712	2.2
430.30075	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	430.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.02449	0.4
55.01870	9.6
55.05509	8.7
56.96566	0.5
57.03432	0.5
59.04979	0.6
64.33288	0.4
65.03929	0.8
67.05502	7.4
69.03419	4.3
69.07053	4.4
71.04975	7.3
75.04460	0.6
79.05479	10.3
81.03385	0.6
81.07042	14.7
82.07363	0.6
83.04959	2.3
83.08612	4.1
84.05742	0.6
85.06525	5.8
85.88235	0.5
91.05469	31.6
93.07028	100.0
94.07319	0.5
95.04954	16.1
95.08574	4.3
97.06514	3.0
103.05451	0.5
105.03392	2.7
105.04516	2.9
105.07005	6.8
107.08583	10.7
109.06505	4.0
109.10131	2.7
111.08070	31.6
117.07005	0.7
119.08548	3.6
121.06556	0.6
121.10149	1.9
123.08059	0.6
125.09618	0.7
128.06178	0.6
129.07037	0.6
131.08565	2.5
133.10136	3.8
135.08015	0.7
135.11687	9.3
143.08560	0.9
143.10690	1.9
145.10130	2.8
149.13293	0.7
149.50357	0.5
150.75406	0.5
151.11224	1.9
153.62988	0.6
159.11703	0.9
167.10643	0.6
171.11842	0.6
187.11243	1.0
187.14804	0.4
209.15416	0.5
273.18472	0.6
292.53897	0.5
326.05743	0.6
352.46179	0.6
361.97906	0.6
429.29895	0.7
430.30249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47885	0.2
57.03207	0.2
57.03437	3.5
57.03677	0.4
59.76612	0.2
64.43018	0.3
65.03912	0.5
69.03416	0.5
71.04366	0.2
75.58098	0.2
77.06556	0.3
79.05450	0.5
81.07034	1.2
85.02905	2.3
91.05467	17.6
93.55358	0.3
97.02895	0.5
105.07011	0.5
109.06503	1.4
109.40030	0.3
115.05410	0.6
116.92446	0.3
117.07008	0.6
119.04932	12.5
121.06481	0.3
123.04453	0.6
131.04883	0.5
131.08522	1.4
137.05965	100.0
138.06227	0.3
141.06982	0.7
143.08540	2.2
145.06468	1.7
145.10165	0.4
147.04448	0.4
149.06006	1.4
154.07776	1.4
159.08026	2.3
159.11729	0.6
160.05223	1.1
161.05956	5.1
161.09502	0.4
163.07562	0.4
167.06978	0.4
168.05609	0.4
169.06419	0.6
169.10129	2.8
171.08025	1.2
173.05995	1.3
174.06728	0.3
181.50702	0.3
183.90666	0.3
186.06767	0.6
187.07503	1.2
187.11160	1.3
189.09120	4.1
191.06985	0.3
191.13669	0.3
197.09555	1.5
205.12270	0.6
215.10687	3.7
233.11684	5.1
248.63792	0.3
251.12819	1.8
366.33145	0.3
371.63013	0.3
396.55673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61481	1.1
54.81702	1.3
55.01867	24.7
55.05476	1.3
57.03431	41.6
57.07068	51.0
59.04979	2.7
61.02917	12.2
62.77898	1.1
63.04477	51.5
63.95120	1.4
68.93436	1.3
69.03415	41.5
71.01332	8.8
73.02900	48.7
73.37095	1.4
81.03387	6.4
81.07017	1.6
85.02892	75.9
87.04446	6.9
95.08605	1.8
97.02872	53.3
98.97595	1.8
99.04440	5.3
101.09624	1.6
103.03905	2.8
109.02859	5.2
115.03919	21.2
119.10668	100.0
119.42020	1.5
127.03876	15.3
132.06474	2.4
133.04948	25.0
145.04935	13.7
145.09975	1.4
150.94810	1.3
152.12642	1.4
153.06873	1.4
153.44789	1.2
157.10135	1.7
163.05994	5.6
217.65181	1.4
233.15291	1.4
241.07063	2.4
259.08133	2.0
269.09909	7.9
281.15799	2.9
341.62881	1.5
431.14905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15436	1.2
51.12349	1.0
51.57538	1.0
52.27146	1.2
53.03928	5.1
53.47083	1.2
55.01860	6.3
55.05503	14.5
56.96552	2.3
57.03426	1.7
59.04975	2.2
60.73475	1.2
61.91050	1.2
63.07951	1.2
65.03917	1.8
67.05499	24.3
67.55340	1.1
69.03399	5.6
69.07056	13.1
71.04968	7.8
79.05481	25.2
81.03411	2.0
81.06600	2.6
81.07042	50.4
83.04966	19.4
83.08611	2.9
85.02891	11.0
85.06528	12.1
91.05460	41.5
93.07026	57.6
93.60542	1.3
95.04952	29.8
95.08589	35.2
97.02869	5.9
97.06517	5.9
99.04423	2.0
103.17017	1.4
105.04509	1.2
105.07016	100.0
107.04962	1.8
107.08582	40.7
109.06513	16.4
109.10156	12.3
111.04427	1.4
111.08067	10.2
117.07001	14.7
119.06089	1.7
119.08561	26.5
121.06437	6.0
121.10123	13.9
123.08059	5.4
123.11671	2.5
125.05955	5.0
125.09616	2.4
125.11772	1.3
128.06233	1.4
129.06946	3.2
130.07755	2.5
131.08553	56.8
133.06441	1.8
133.10118	30.9
135.08014	9.9
135.11674	2.6
137.05951	1.8
139.07478	1.8
143.08533	6.3
144.09338	1.6
145.06488	2.1
145.10120	41.7
147.11658	5.8
149.05942	1.5
149.09625	12.9
151.07491	5.2
151.11151	5.6
157.10114	1.8
159.07986	3.2
159.11655	17.0
161.13223	4.8
163.07495	2.0
165.09073	2.3
165.79228	1.4
171.11766	2.1
173.09489	1.6
173.13191	2.5
175.11174	2.1
177.09088	47.9
177.14870	1.2
177.16360	1.4
187.14793	34.1
189.16310	1.7
191.10672	1.7
195.10121	12.4
197.13261	1.9
205.15900	1.3
215.14272	12.0
233.15340	29.2
251.16423	7.2
449.44061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28661	0.3
55.01858	0.6
55.05504	0.8
57.03419	2.2
69.03402	1.8
69.07058	3.2
71.04966	2.2
73.02900	1.1
73.06498	0.5
81.03416	0.8
81.68848	0.4
83.04958	2.3
84.04493	1.0
85.02898	5.0
85.06554	0.5
86.09690	54.8
87.04445	0.6
87.10033	1.1
88.77345	0.4
92.08746	0.6
95.04919	0.5
97.02866	2.2
98.97547	0.8
101.05993	8.5
111.04396	0.5
115.03960	0.6
116.98547	0.6
119.03587	0.5
123.04328	0.5
127.03911	4.1
132.09164	0.7
132.10176	21.2
135.04663	0.7
136.06161	100.0
137.04593	0.9
145.04866	0.5
148.06065	0.6
150.07718	0.6
179.06972	0.6
182.08031	1.7
250.10698	0.8
310.81314	0.5
396.90671	0.4
430.16254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09345	0.6
53.03942	15.7
55.01867	14.2
55.05499	0.8
57.03429	7.0
57.83841	0.6
61.02908	7.9
63.78877	0.5
67.05487	0.7
68.99773	5.0
69.03414	41.0
69.07035	0.9
71.01344	0.7
71.04979	7.2
73.02898	11.8
79.05472	1.0
80.04987	0.7
81.03400	45.7
81.07039	1.5
83.01323	1.6
83.04927	0.8
85.02889	100.0
87.00810	49.8
87.01603	0.8
87.04453	1.5
88.57964	0.6
91.03954	4.8
91.05450	2.7
93.07020	1.4
95.04944	1.0
95.08583	0.7
97.02874	40.1
97.06541	0.9
98.06049	0.7
98.98422	0.6
99.04438	21.1
101.02317	0.8
103.03900	0.7
105.01847	21.8
105.07013	8.5
107.08552	1.3
108.04465	7.5
109.02861	39.0
109.24964	0.6
115.03928	1.2
117.01828	8.3
117.07002	1.2
119.08552	2.8
121.06533	0.8
126.05502	4.4
127.03897	55.2
129.01819	4.5
129.07082	0.7
131.08548	3.8
133.06476	5.9
133.10126	1.2
137.05956	16.4
141.01932	0.7
145.04938	22.2
145.06546	1.3
145.10110	1.5
147.02864	1.4
151.07591	0.7
155.03163	0.7
157.10013	0.8
159.02859	27.2
159.08080	1.0
159.11681	3.1
163.07509	0.8
165.09059	10.1
167.08603	0.6
173.09526	0.8
175.07536	1.0
177.09079	3.4
187.14798	2.2
189.03851	1.6
189.09085	3.2
191.06993	3.2
201.09109	1.3
207.10081	1.1
213.03853	1.5
213.09026	0.8
219.05066	0.7
221.91078	0.7
230.06673	1.2
231.04962	10.2
231.10141	1.0
233.11797	6.1
233.15297	5.5
248.07603	4.0
255.10112	1.2
273.11230	2.5
306.91788	0.7
366.36539	0.7
393.91287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.96798	0.8
61.71768	0.6
67.05489	4.7
69.07043	1.3
71.04968	0.9
75.15421	0.7
79.05478	4.6
79.91277	0.6
80.26302	0.8
81.07056	5.2
83.08609	0.7
91.05470	5.4
93.07023	8.9
95.04958	7.1
95.08601	3.1
96.05268	0.9
97.06501	0.7
105.07025	7.0
107.08577	5.9
109.06500	1.1
109.10154	1.4
111.02048	0.7
117.07013	1.2
119.08570	4.4
121.06515	1.4
121.10175	1.0
125.09582	1.1
126.75801	0.7
131.08534	1.7
133.10132	4.1
135.11620	1.2
143.08537	1.0
145.10092	0.9
147.08032	1.0
149.09662	0.8
156.30264	0.8
159.11729	0.9
161.13228	0.8
173.13300	0.9
175.11086	1.2
177.09071	0.9
193.12057	1.2
209.07663	0.9
209.11655	1.3
219.17448	1.2
224.69891	0.8
258.55359	0.8
259.16739	0.7
277.14053	15.3
277.17194	1.3
411.24759	9.0
411.29489	1.0
429.25452	100.0
430.26199	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
64.04433	0.8
67.05506	1.6
69.07063	1.8
79.05464	3.7
81.07026	5.9
91.05469	5.3
92.64249	0.9
93.03091	0.8
93.07031	7.6
95.04939	1.7
95.08585	3.2
105.06989	6.8
107.08576	6.3
109.06522	3.1
109.10162	1.7
117.06952	1.0
119.08576	4.8
121.06493	1.5
121.10133	1.4
123.08052	1.1
125.09605	1.8
129.06960	1.0
131.08514	1.7
133.10146	5.7
135.08057	1.2
135.11636	3.7
145.10130	2.0
147.11632	1.2
149.13214	1.1
161.09633	1.5
161.13292	1.0
177.08885	1.7
193.12057	1.3
209.11490	1.9
217.15897	1.5
233.15260	1.1
259.16821	1.0
277.14075	16.9
277.17719	4.2
411.24817	5.5
411.29349	1.9
429.25946	100.0
429.30280	38.7
430.25940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.0
60.34578	2.3
62.66564	2.5
64.14486	2.3
66.00850	3.8
67.05479	3.3
73.25357	2.5
79.05481	3.9
79.06375	2.2
81.07044	11.3
87.09629	2.4
91.05461	4.5
93.07038	15.4
95.08590	10.0
105.07026	11.3
107.04652	3.9
107.08593	10.4
109.10142	4.3
117.07004	3.2
119.08564	3.3
121.10095	2.8
124.70590	2.4
133.10129	4.0
135.11685	5.0
143.08478	2.6
145.10110	3.1
147.11636	3.5
150.46544	2.7
153.48537	2.3
161.09370	17.2
174.10146	3.8
182.38423	2.7
193.11986	24.0
216.14821	20.1
217.12009	3.4
217.15620	34.4
218.41580	3.2
248.11343	3.0
259.16641	100.0
260.17380	22.5
271.01086	2.9
293.17300	3.7
337.83649	3.2
411.32306	4.5
429.29498	27.6
450.34283	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.66571	2.4
55.05495	5.1
57.07065	31.2
67.05489	5.1
69.07058	2.6
71.08619	17.0
76.16451	2.2
79.05453	2.2
81.07034	10.1
82.77654	2.3
85.10162	4.7
89.10449	2.1
91.05457	4.7
93.07024	3.2
95.08591	6.0
101.22172	2.4
104.38898	2.6
105.06937	2.4
107.08595	12.5
109.10172	10.1
119.08575	9.8
121.10129	2.7
129.18246	2.3
131.08505	2.9
131.63441	2.5
135.08073	4.6
135.11642	3.2
137.09589	18.3
149.09636	25.2
163.11154	26.1
165.09073	100.0
175.11160	5.6
176.08353	2.8
177.09079	19.3
177.12708	2.8
186.10342	2.3
191.10675	14.2
200.86391	2.3
203.10617	2.6
205.12265	14.4
293.30350	2.7
429.31451	11.4
429.37128	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80976	0.6
56.43243	0.5
57.03405	0.6
59.05738	0.5
65.75402	0.6
69.03408	1.0
81.07047	1.3
84.58427	0.6
85.02888	2.4
88.31947	0.5
91.05447	0.6
97.02910	0.8
99.08079	0.9
102.15369	0.6
112.91267	0.5
115.03922	0.6
130.03624	0.5
130.98097	0.5
137.05956	2.8
197.17630	0.6
203.05252	2.2
225.11133	0.8
272.74786	0.5
361.79300	0.6
365.31158	0.6
371.16818	0.9
429.20865	100.0
430.21320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81926	0.5
56.65651	0.5
57.03423	0.4
58.27924	0.4
58.90878	0.4
59.04350	0.5
63.76756	0.4
69.03409	1.3
73.02882	0.7
81.03384	0.5
85.02881	3.1
86.72838	0.6
91.05476	0.5
97.02894	0.6
98.97549	2.3
105.03387	0.5
109.02889	0.6
110.77827	0.6
116.98589	2.7
117.09129	0.9
123.04423	4.4
124.01453	0.6
127.03893	3.5
134.99646	1.2
136.07564	0.6
139.03864	10.7
147.04350	0.7
150.09509	0.5
151.03842	4.4
161.05998	0.6
163.03908	0.7
165.38980	0.6
173.09386	0.6
179.07109	0.7
203.05304	1.2
249.14784	2.5
255.01727	2.3
277.07153	0.8
303.08755	0.9
311.11813	0.6
319.01111	0.9
347.00604	0.8
411.19803	1.0
429.20886	100.0
430.21271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25522	0.3
75.37202	0.3
85.02883	0.5
108.90686	0.3
117.16095	0.4
185.04091	0.7
233.83141	0.4
243.10756	0.6
249.10982	0.5
267.11984	100.0
367.29764	0.4
429.17160	66.1
430.17511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81926	0.5
56.65651	0.5
57.03423	0.4
58.27924	0.4
58.90878	0.4
59.04350	0.5
63.76756	0.4
69.03409	1.3
73.02882	0.7
81.03384	0.5
85.02881	3.1
86.72838	0.6
91.05476	0.5
97.02894	0.6
98.97549	2.3
105.03387	0.5
109.02889	0.6
110.77827	0.6
116.98589	2.7
117.09129	0.9
123.04423	4.4
124.01453	0.6
127.03893	3.5
134.99646	1.2
136.07564	0.6
139.03864	10.7
147.04350	0.7
150.09509	0.5
151.03842	4.4
161.05998	0.6
163.03908	0.7
165.38980	0.6
173.09386	0.6
179.07109	0.7
203.05304	1.2
249.14784	2.5
255.01727	2.3
277.07153	0.8
303.08755	0.9
311.11813	0.6
319.01111	0.9
347.00604	0.8
411.19803	1.0
429.20886	100.0
430.21271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00502	0.7
55.01856	1.3
55.05496	5.2
57.07045	0.7
59.39862	0.8
67.05479	3.5
69.03398	0.8
69.07053	1.1
70.02892	0.8
71.04966	0.9
79.05474	9.3
81.07037	10.0
83.04966	8.8
83.08588	4.5
91.05460	10.7
93.07021	16.9
95.04938	4.6
95.08571	3.6
99.04465	0.9
105.07000	6.8
107.08575	85.4
109.06477	3.0
111.08071	3.6
115.05312	0.9
117.07008	0.9
119.08526	3.7
123.11686	0.9
125.09601	100.0
131.08519	1.9
133.10100	1.6
135.08009	1.2
135.11644	1.0
141.09093	1.0
143.08525	0.8
143.10657	1.3
156.33607	0.8
350.83023	0.9
354.49191	0.8
428.23645	1.1
428.29059	2.5
429.29932	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	428.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85989	0.6
55.01864	0.9
55.05499	4.3
57.03429	1.1
58.55622	0.6
59.04993	1.0
59.62139	0.6
65.78334	0.7
67.05486	4.4
69.03394	0.7
69.07048	3.2
71.04978	1.7
79.05476	7.9
81.07044	7.4
83.04980	8.0
83.08606	3.4
85.06532	1.5
91.05458	8.8
93.07039	12.4
95.04959	5.2
95.08611	1.7
97.06497	0.9
105.07011	7.0
106.00747	0.9
107.08582	79.2
109.06509	1.9
111.08067	1.8
119.08538	1.1
121.10147	1.2
123.19817	0.7
125.09611	100.0
131.08562	1.0
133.10081	1.1
135.11658	4.4
143.10657	1.4
145.10181	1.0
187.77539	0.8
428.28363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29814	0.5
53.03945	1.8
55.01865	8.2
55.05502	1.5
57.03432	19.2
59.04989	1.3
59.51589	0.7
61.02922	13.6
69.03417	32.1
71.01334	4.1
71.04984	7.2
73.02901	47.6
81.03401	7.0
81.07056	1.4
83.04958	3.2
85.02892	100.0
87.04465	5.3
91.03945	2.8
91.05460	4.6
93.07018	12.0
95.04945	1.5
97.02874	40.8
99.04431	4.4
103.03921	1.7
105.06992	1.1
107.08574	1.1
109.02886	10.7
111.04395	1.4
111.08072	4.5
115.03915	12.4
119.08541	1.7
121.06470	4.1
127.03892	20.0
131.08545	1.5
132.06590	0.9
133.04942	14.4
133.10118	0.9
135.08049	5.8
143.08519	0.7
145.04951	30.8
145.10127	1.4
159.11650	2.8
163.06004	13.0
163.07394	1.6
173.09618	3.1
173.13274	3.9
185.13269	0.8
187.11156	6.5
201.12741	4.7
205.12267	0.9
223.06000	0.9
229.12251	4.4
231.13789	1.5
241.07062	1.4
247.13300	11.3
249.14742	0.9
259.08188	1.6
265.14163	1.6
277.08963	1.0
279.18027	1.7
291.89926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03138	0.7
52.80051	0.5
55.05499	3.0
55.97643	0.6
58.13498	0.7
60.39137	0.7
64.41862	0.6
67.05504	1.4
69.07042	1.5
71.04971	1.6
71.32044	0.6
79.05473	8.2
81.07047	6.3
83.04973	7.2
83.08633	1.3
91.05482	6.8
93.07049	9.1
95.04954	3.0
95.08561	1.7
105.07010	4.6
107.08591	77.4
109.06517	1.7
109.10176	1.2
111.08113	1.1
114.65321	0.7
119.08571	1.4
122.08334	0.8
125.09620	100.0
131.08490	1.2
133.10141	1.3
135.08026	0.9
135.11647	1.0
135.51642	0.8
139.75327	0.7
143.10666	0.9
158.88101	0.7
159.11697	0.8
172.92125	0.7
292.26617	0.9
428.29016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
55.05514	0.7
57.03431	11.8
59.04975	0.5
61.02917	9.9
65.06982	0.5
69.03418	18.4
71.01328	1.0
71.04980	29.1
73.02908	8.3
81.03409	7.4
83.01337	0.9
85.02892	94.1
87.04452	3.5
91.03915	4.7
97.02873	26.0
98.97576	1.2
99.04433	20.4
103.03950	0.9
104.12419	0.5
109.02862	7.5
115.03878	4.8
116.54579	0.6
116.98583	1.3
117.05472	100.0
127.03893	19.0
133.04958	2.7
135.04736	1.1
135.06535	0.9
136.06174	3.0
145.04935	26.8
150.05455	0.6
160.07545	10.2
161.07878	2.6
163.05981	10.1
177.10114	0.8
195.06548	0.6
277.70227	0.6
279.10687	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.06020	0.3
55.01855	0.7
55.05505	4.3
57.03412	0.3
57.07067	0.6
58.70988	0.3
59.62152	0.3
64.53675	0.4
66.43484	0.3
67.05498	6.3
69.03410	2.6
69.07043	2.4
71.05000	0.4
79.05471	3.5
81.07043	9.4
83.04967	5.7
85.02879	1.5
85.06518	1.6
87.04468	0.6
91.05459	5.5
92.89320	0.4
93.07026	20.2
95.04948	3.1
95.08590	38.5
97.06491	1.7
99.04398	0.4
105.07010	6.9
107.04912	0.6
107.08578	9.9
109.06508	26.8
109.10152	0.7
111.08041	1.5
117.33167	0.3
117.92931	0.3
119.08564	7.7
121.06483	13.8
121.10128	14.8
123.08043	5.9
125.05918	0.4
129.06956	1.6
129.61549	0.4
131.08549	7.9
133.06444	2.1
133.10120	7.5
135.08057	5.2
142.07739	1.6
143.08522	1.9
145.10112	3.3
147.08038	8.6
147.11656	1.9
149.05962	4.8
149.09615	5.8
155.08577	0.7
156.09314	0.8
157.10112	7.4
159.08051	1.6
159.11682	2.6
160.08771	0.4
161.05896	0.4
161.09604	21.9
161.13278	0.6
171.08026	1.8
173.09592	2.4
174.06755	1.5
174.10437	0.7
175.07544	3.6
175.11159	7.5
175.14813	4.8
180.09341	0.5
185.13258	5.6
187.11154	0.9
189.09061	6.1
198.10490	0.5
203.10770	0.6
203.14311	9.2
213.12756	3.3
231.13786	10.1
249.14819	100.0
250.15141	2.1
360.04279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17099	1.5
54.54484	1.7
55.05505	3.9
59.06956	1.6
67.05479	3.5
69.07047	8.4
71.06525	1.6
79.05470	2.5
81.07037	26.4
91.05453	11.4
93.07023	17.8
95.08582	11.2
105.07011	32.8
105.80135	2.1
107.08579	13.4
109.10151	4.5
114.07662	1.9
119.08558	36.6
121.10123	9.1
131.08554	2.7
133.10114	11.5
135.11649	2.7
136.03740	2.1
145.10135	4.3
147.11702	8.4
159.07829	2.4
163.14835	2.1
173.09433	2.2
203.17921	14.5
207.10008	3.0
215.14064	50.5
229.15680	2.4
230.16403	2.3
233.15189	2.9
245.15114	10.3
259.16687	10.4
261.14554	3.5
275.16162	100.0
276.83011	1.9
277.17661	2.9
291.15591	4.0
381.27536	33.1
427.28171	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3931
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03935	1.5
54.81837	1.3
55.05505	22.0
55.90791	1.2
57.01694	1.1
57.07071	10.1
57.47078	1.2
57.65107	1.1
59.04973	1.7
65.03928	1.2
67.05495	27.4
69.03422	1.7
69.07055	44.7
69.07410	2.6
71.04964	2.1
77.93649	1.2
79.05482	23.5
81.07042	100.0
82.75738	1.2
83.04951	2.1
83.08611	17.4
85.06562	1.9
91.05461	13.1
93.07026	48.7
95.04966	3.1
95.08588	81.1
97.10159	5.7
101.10511	1.3
105.07018	28.8
107.08578	53.6
109.06521	2.7
109.10145	56.2
109.10854	2.6
111.08105	1.4
111.11702	5.6
117.06994	2.0
119.08558	28.0
121.10129	44.0
123.11692	27.7
125.09656	5.8
131.08577	6.2
133.10080	14.0
135.11674	27.4
135.21492	1.4
137.13229	12.5
139.11119	1.6
143.08629	1.8
143.10593	2.0
145.10155	9.1
147.11700	18.8
149.13237	20.7
151.11195	6.2
159.11691	9.3
161.13257	11.8
163.14769	10.4
173.13321	2.5
175.14821	7.5
177.16441	7.8
187.14804	2.2
189.16371	7.6
191.17935	6.9
203.17996	5.4
205.19635	2.8
209.15477	1.5
215.17960	1.9
217.19496	3.3
231.21170	1.7
285.25919	1.6
409.26932	2.1
409.38309	14.1
427.28207	94.8
427.39200	27.1
428.28357	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	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.68808	0.7
52.12522	0.7
53.03935	5.2
54.45879	0.9
55.05504	1.8
59.04982	0.9
65.03915	1.9
67.05484	4.1
68.99761	1.8
69.03420	15.6
69.07042	1.4
72.91430	1.0
75.82006	0.8
79.05476	7.8
81.07035	6.9
83.04967	21.5
85.02901	4.8
85.06551	2.4
86.71861	1.1
91.05453	13.5
92.08700	1.9
93.03383	1.8
93.07023	23.6
95.04933	7.7
95.08574	1.5
97.02863	6.7
97.06511	1.7
103.05471	1.3
105.07012	14.1
107.08584	26.8
109.02880	20.3
109.06493	14.8
109.10194	1.1
111.04440	9.8
111.08038	4.4
113.06013	1.2
115.05432	4.0
117.07016	8.3
119.08563	22.4
121.02879	1.1
121.06487	44.5
121.10096	4.6
123.08026	5.7
125.09636	1.3
128.06229	3.7
129.07005	4.2
131.08546	19.0
133.10100	12.7
135.08034	65.0
135.11696	1.9
137.05972	6.8
137.09596	6.9
141.06960	1.4
142.07794	1.7
143.08568	8.9
144.09370	8.4
145.06483	9.2
145.10103	12.8
146.07277	1.6
147.08026	5.1
149.05969	1.8
149.09616	18.8
150.10359	3.5
151.07484	1.1
151.11099	2.1
153.06999	1.0
153.09171	1.8
155.08545	2.3
156.09261	1.3
157.10123	1.5
158.07259	2.2
158.10854	13.1
159.08044	10.1
159.11667	29.7
160.08771	2.0
161.09598	6.4
163.07535	21.7
163.11115	5.8
165.09036	2.0
168.09398	1.8
169.10199	1.9
170.10872	5.4
171.08008	4.0
171.11598	1.7
172.08774	9.6
173.05960	1.5
173.09593	19.6
173.13226	46.2
177.09033	1.2
177.12802	1.0
183.11656	6.1
185.13258	1.9
186.10381	18.6
187.11154	84.0
189.09077	1.9
191.07011	12.7
193.10164	1.1
196.08803	4.1
201.12730	53.3
203.14302	2.1
205.12202	18.3
209.08029	1.1
211.11148	7.6
214.09921	2.0
219.13736	11.3
229.12196	48.6
247.13245	100.0
265.14340	3.8
296.42508	1.0
299.90717	0.9
361.21371	0.9
409.67386	1.0
414.43881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57832	0.7
55.05493	1.3
57.44220	0.7
57.85946	0.7
58.83739	0.7
67.05487	3.1
68.24532	0.6
69.07044	1.0
71.04987	0.7
72.34364	0.6
73.24340	0.7
79.05473	1.6
81.07075	5.3
83.04962	3.0
83.08544	0.6
88.33092	0.7
91.05455	3.8
93.07023	6.2
95.04919	1.2
95.08583	2.9
96.98424	0.8
97.06518	1.2
99.66383	0.7
105.06988	3.2
107.08596	4.8
109.06508	1.0
109.10154	1.1
119.08556	3.7
121.10143	1.4
123.08078	1.2
131.08531	1.2
133.10085	2.8
145.10159	1.0
150.13676	0.8
159.11681	1.2
170.49060	0.7
176.04428	3.3
201.05219	8.3
203.06734	1.2
209.72049	0.8
216.07545	41.8
217.08417	2.7
233.07890	1.4
245.81342	0.7
281.16196	0.8
283.50449	0.9
427.17188	100.0
428.17657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.44318	1.9
53.03958	2.0
55.01856	3.5
55.05500	10.8
55.93519	8.7
57.03421	8.3
61.02916	3.1
67.05498	16.5
69.03424	35.1
69.07047	2.8
71.01328	2.5
71.04975	5.3
79.05460	9.4
81.03380	5.3
81.07037	12.0
83.04962	3.0
85.02892	36.5
85.06519	2.6
91.05463	19.2
93.07027	21.3
95.04953	21.0
95.08582	9.5
97.02857	14.2
97.06515	3.1
97.10164	5.7
105.07018	32.3
107.08569	9.8
109.02848	3.0
109.06490	16.6
111.04414	19.5
111.08030	5.3
113.06017	4.3
115.03870	2.4
115.11201	2.3
117.06990	5.5
119.08558	37.2
121.02872	3.2
121.06488	22.0
121.10081	3.3
123.08024	15.2
127.03865	2.5
128.06204	2.4
131.08549	22.5
133.06448	2.8
133.10109	12.6
135.08026	40.7
137.05901	2.8
137.09554	4.0
139.03897	9.3
142.07732	3.1
143.08571	5.3
145.04794	3.4
145.06419	2.7
145.10150	17.9
147.08025	17.2
147.11676	11.0
149.06047	2.6
149.09549	3.6
155.08620	3.0
156.09332	2.6
157.10057	8.8
158.07259	13.5
159.08028	21.9
159.11653	22.9
160.08870	3.5
161.05931	5.6
161.09566	17.1
161.13177	3.2
163.03882	14.4
165.09073	13.1
171.11693	5.3
172.08823	14.7
173.09593	9.7
173.13222	10.1
175.07510	29.0
175.11131	13.7
183.02670	2.2
183.11652	5.2
185.09543	3.4
187.11072	15.8
189.09090	3.8
189.12695	3.9
191.10565	3.9
194.97459	16.6
195.97659	11.9
196.08836	4.0
199.11168	8.7
201.12711	13.5
203.10609	15.9
211.11159	5.0
212.98358	19.2
213.98695	13.4
217.12199	4.5
219.13660	8.8
223.97649	3.3
224.97855	3.3
229.12193	13.9
237.95564	22.6
238.95839	15.1
241.98630	11.0
242.98978	5.3
246.99283	5.3
247.13283	25.9
247.99620	9.1
265.14294	100.0
266.00537	4.0
289.06973	4.0
315.99796	4.4
343.99591	4.5
345.00076	25.0
386.02374	3.4
404.04022	3.5
427.19217	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37966	1.4
53.03935	2.2
54.06057	1.1
55.01873	11.0
55.05490	2.4
57.03432	23.6
58.18947	1.0
58.38110	1.0
61.02915	21.2
62.31327	1.2
65.05864	1.3
68.48019	1.1
69.03418	34.9
69.07039	5.3
70.39634	1.2
71.01340	3.1
71.04959	2.8
73.02903	77.5
74.70301	1.1
76.50539	1.2
79.05467	1.5
81.03394	9.4
81.07020	1.9
85.02894	100.0
87.04456	6.6
91.03932	2.9
91.05496	1.6
92.09306	1.4
92.56631	1.3
95.04927	1.6
97.02878	49.3
97.10143	2.7
98.97557	1.7
99.04419	7.4
101.02364	2.8
103.03928	1.9
107.04935	15.7
109.02847	9.1
115.03917	14.0
115.11162	1.4
125.08601	1.2
127.03901	24.9
133.04945	18.9
133.06505	1.6
139.56380	1.4
145.04948	33.6
163.05974	13.5
167.07010	2.5
223.05943	1.9
241.07021	2.9
259.08099	5.7
265.14267	2.1
269.45490	1.3
294.19180	1.4
295.10107	2.1
312.24963	1.2
325.30164	1.4
427.15262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37966	1.4
53.03935	2.2
54.06057	1.1
55.01873	11.0
55.05490	2.4
57.03432	23.6
58.18947	1.0
58.38110	1.0
61.02915	21.2
62.31327	1.2
65.05864	1.3
68.48019	1.1
69.03418	34.9
69.07039	5.3
70.39634	1.2
71.01340	3.1
71.04959	2.8
73.02903	77.5
74.70301	1.1
76.50539	1.2
79.05467	1.5
81.03394	9.4
81.07020	1.9
85.02894	100.0
87.04456	6.6
91.03932	2.9
91.05496	1.6
92.09306	1.4
92.56631	1.3
95.04927	1.6
97.02878	49.3
97.10143	2.7
98.97557	1.7
99.04419	7.4
101.02364	2.8
103.03928	1.9
107.04935	15.7
109.02847	9.1
115.03917	14.0
115.11162	1.4
125.08601	1.2
127.03901	24.9
133.04945	18.9
133.06505	1.6
139.56380	1.4
145.04948	33.6
163.05974	13.5
167.07010	2.5
223.05943	1.9
241.07021	2.9
259.08099	5.7
265.14267	2.1
269.45490	1.3
294.19180	1.4
295.10107	2.1
312.24963	1.2
325.30164	1.4
427.15262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	24.0
55.05496	3.0
57.03426	32.7
59.04977	7.5
61.02911	15.4
64.22004	1.3
67.05486	1.6
69.03416	40.4
69.07056	12.6
71.01330	8.3
71.04972	5.6
73.02897	42.7
73.06551	2.1
79.05453	1.8
79.55131	1.2
81.03415	10.7
81.07059	3.2
83.04972	1.6
85.02364	3.2
85.02889	100.0
87.04451	8.1
89.58369	1.3
91.03911	2.4
91.05463	1.9
93.07030	5.7
95.04948	2.4
95.08575	5.9
97.02869	46.6
97.06519	6.0
98.97549	2.3
99.04420	7.9
101.02348	1.9
103.03915	2.8
105.07033	2.2
107.08567	3.0
109.02879	6.9
109.06522	1.9
115.03912	17.4
115.05355	1.4
115.07538	6.7
116.98638	1.4
121.10117	1.3
123.04408	1.4
125.05962	1.6
127.03851	19.9
131.04941	1.3
132.06558	2.5
133.04938	19.4
133.10109	5.4
137.05940	6.5
145.04930	28.0
147.11728	1.3
150.07582	2.7
150.81215	1.3
151.11215	3.2
153.05408	2.6
163.05988	7.1
169.12209	3.1
177.05385	1.6
188.08208	5.5
189.08563	6.2
211.13313	2.4
218.11703	3.0
223.21477	1.4
229.10806	2.0
229.14400	2.0
241.07109	2.7
247.15369	5.3
259.07959	2.7
264.12250	2.6
277.40680	1.4
328.52643	1.4
341.09946	1.6
343.99936	1.6
349.02243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03430	1.6
65.03923	0.7
65.12640	0.7
67.05495	10.5
69.03409	8.3
69.07048	3.3
71.04976	3.4
75.26910	0.6
77.01803	0.7
79.05461	0.7
81.07022	1.0
83.01322	16.3
85.02892	6.7
85.06528	1.3
87.04449	1.1
95.04947	100.0
95.08581	3.8
97.02866	1.5
97.06516	5.9
99.04430	5.0
105.06987	6.0
105.93497	0.7
107.08587	2.6
109.06503	3.5
113.05991	20.4
115.03927	3.9
117.05434	1.0
123.04409	35.5
123.08035	24.5
127.03904	0.9
127.07520	1.6
133.04933	4.7
133.06480	4.7
141.05444	44.2
151.07527	25.7
155.07002	20.5
155.08255	0.9
161.05945	3.3
165.09145	1.0
169.08557	4.6
173.08122	0.8
179.06996	81.7
183.10120	8.7
197.08060	57.7
211.09593	24.1
229.10664	63.9
247.11665	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05502	4.6
61.11308	4.1
67.05480	5.3
69.07048	20.0
69.70950	3.7
79.05473	10.3
81.07051	25.4
89.06010	24.5
91.05479	19.7
93.07030	27.3
95.08577	22.3
105.07011	80.9
107.04922	9.7
107.08582	26.3
109.06490	9.3
109.10144	18.1
109.31540	4.2
117.07080	5.5
119.08566	100.0
121.06519	25.6
121.10132	29.0
131.08626	4.9
133.08560	9.0
133.10095	20.3
135.08031	5.9
145.10123	19.0
147.11684	31.3
149.09651	5.7
151.99414	4.4
161.13258	9.3
187.14899	9.6
203.17932	32.0
205.15868	23.3
223.16890	53.2
239.14922	6.7
394.06760	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	426.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05486	3.2
55.93518	24.0
57.03424	1.7
60.26171	0.6
65.03918	1.1
67.05489	1.4
69.03401	3.7
69.07045	3.6
70.06595	1.0
71.04973	1.9
71.92971	1.3
72.93758	5.5
73.02896	0.8
79.05463	3.9
80.05790	0.9
81.03374	2.9
81.07032	6.0
83.04968	3.0
83.08575	1.2
85.02878	5.0
85.06489	1.2
86.59521	0.8
88.96855	0.8
90.94799	1.8
91.05445	3.4
92.64031	0.8
93.07034	5.8
94.07343	1.6
95.04948	6.7
95.08575	4.9
96.05261	1.0
97.02871	3.4
97.06490	3.9
98.97547	1.7
99.04408	0.9
105.07011	4.5
106.07400	0.9
107.08579	4.4
108.08877	1.6
109.02898	0.9
109.06485	4.0
109.10084	1.1
111.04434	1.5
111.08076	1.4
113.04165	0.8
115.03941	0.8
115.07554	1.2
116.98627	0.8
119.08557	3.6
120.08847	0.9
121.02879	3.0
121.06505	1.0
121.10130	8.5
122.10447	4.5
123.04424	1.0
125.05964	2.9
125.09671	0.8
127.03882	0.9
133.04951	1.2
133.10114	5.4
134.10460	1.3
137.05948	6.5
139.03836	1.6
145.04988	0.9
146.10396	0.7
147.11607	2.7
149.05946	1.7
151.07516	1.1
151.11253	1.1
153.05380	3.7
153.06909	1.2
153.09059	1.2
155.07027	0.8
163.03867	0.9
163.14798	1.3
165.97061	1.2
167.98663	3.5
171.07912	0.7
173.13277	1.4
174.13496	0.8
176.96255	1.6
179.14943	0.7
181.06467	4.0
181.96613	1.5
191.14261	1.4
192.14635	3.3
194.97372	71.8
195.98180	0.8
199.97534	1.3
205.96565	4.4
209.15341	3.3
209.96080	3.2
210.15681	5.3
210.96892	1.1
211.13271	1.0
211.83710	0.9
211.97662	1.5
212.98419	79.8
213.09055	2.9
213.99005	1.9
217.99007	4.9
221.96056	3.1
222.96880	1.4
223.97620	32.8
225.99265	1.0
227.16473	1.9
227.97133	1.8
228.16759	1.8
229.14420	1.0
231.67323	0.8
235.93718	0.9
235.99979	0.9
237.95549	100.0
239.97086	3.3
240.97849	3.5
241.08556	2.9
241.98666	54.6
246.99203	49.3
247.15352	0.9
255.96577	5.3
265.00253	16.1
272.98602	1.0
273.11075	1.7
288.01099	1.1
295.76050	0.9
297.99237	1.2
301.98792	1.6
314.99457	17.5
316.00296	3.4
334.01138	5.2
343.99725	90.0
362.00775	6.2
385.02390	11.2
391.13742	3.0
403.03372	17.7
426.18085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39258	0.4
55.00998	0.4
56.96550	0.8
59.93816	0.5
60.24490	0.4
65.70016	0.4
73.79126	0.4
73.93379	0.4
75.49068	0.4
76.98674	0.4
79.05470	0.5
81.07041	0.9
91.05434	0.5
92.08829	1.6
93.07027	0.8
103.59676	0.5
105.06992	0.5
119.51678	0.4
127.79089	0.6
142.74141	0.4
153.34154	0.4
198.40509	0.5
203.05251	38.7
258.70435	0.4
368.73798	0.5
425.25040	100.0
426.25500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01694	5.0
55.05502	6.6
57.07096	5.0
57.73884	4.8
57.91691	5.1
58.52138	4.4
67.05510	21.3
69.07061	6.8
74.09708	4.8
79.05477	11.3
81.07047	82.2
82.07396	11.2
83.08615	8.4
84.90800	6.9
89.06019	36.9
91.05454	12.1
93.07053	49.3
95.04940	8.4
95.08600	29.3
105.07039	25.9
106.07481	5.2
107.08615	37.0
109.10172	29.2
111.08076	5.2
119.08578	24.9
121.06471	6.0
121.10124	19.2
123.11722	8.3
131.08539	11.1
133.08615	7.0
133.10153	6.3
135.11638	7.0
137.13268	8.4
145.10120	11.6
147.11655	11.8
149.65077	5.6
151.11156	5.6
159.93983	5.4
191.10445	12.0
201.08870	9.0
203.14191	5.9
203.17976	7.9
214.13248	6.5
215.14046	92.1
219.17468	7.1
239.14859	8.7
257.15128	47.2
259.13037	8.0
274.15344	10.8
275.16107	52.4
365.24539	28.0
425.26251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01863	0.6
53.03950	0.8
55.01865	1.8
55.05497	11.0
57.03434	0.9
57.07063	3.1
59.04988	1.8
65.03918	0.8
67.05496	12.7
68.05882	0.8
69.03418	2.9
69.07051	13.5
71.04974	8.2
71.08606	0.9
71.47970	0.7
77.71849	0.7
79.05474	30.0
81.07040	31.8
83.04960	4.8
83.08609	4.9
85.06533	5.6
91.05462	26.6
91.06008	1.4
93.07021	100.0
94.07355	1.7
95.04952	9.0
95.08584	31.0
96.08907	0.8
97.06504	10.1
97.10090	1.0
99.04469	2.6
99.08091	3.0
101.05978	1.0
105.07013	35.1
107.04944	0.8
107.08578	76.0
108.08925	1.2
109.06480	6.0
109.10139	34.5
111.08061	11.5
117.07012	5.6
119.08556	33.6
120.08821	0.9
121.06496	8.5
121.10123	30.0
123.08031	5.1
123.11697	6.1
125.09616	6.6
127.07535	1.2
127.11144	9.0
130.07765	1.0
131.08540	13.0
133.10112	19.4
133.11034	1.2
135.08028	5.1
135.11673	54.1
136.12036	0.9
137.09619	3.0
137.13246	0.9
139.07518	39.4
139.11159	1.2
141.09172	1.3
143.08546	1.8
144.09361	1.3
145.10120	22.0
147.11671	9.2
149.09604	4.6
149.13229	17.3
151.07547	1.4
151.11205	2.9
153.09079	10.6
153.12672	1.0
155.10606	1.4
157.10118	2.6
159.11668	25.3
161.09497	1.1
161.13213	34.0
163.07498	0.9
163.11179	4.2
163.14799	4.0
173.11909	1.2
173.13248	9.2
175.11168	1.7
175.14809	4.4
177.12744	5.0
177.16348	4.3
179.14253	1.4
183.11685	1.0
191.14297	7.8
191.17952	3.0
195.13792	4.2
201.16347	18.9
203.17964	6.2
209.15295	10.7
217.19444	0.9
219.13954	6.8
219.17404	22.9
223.16983	1.3
237.14807	18.8
237.18365	9.8
242.74568	0.8
247.08228	0.8
255.15897	1.8
406.35406	1.3
424.25034	1.5
432.97906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26710	0.8
63.07570	0.8
68.00583	0.9
77.00869	1.2
82.99806	1.4
97.00882	0.8
97.02856	1.1
101.00864	17.7
105.31337	0.9
113.00853	1.5
119.01906	43.8
122.31445	0.9
127.02429	1.8
131.01888	16.8
133.03493	1.2
137.02948	6.8
143.00746	1.5
143.01875	43.0
143.02960	1.9
145.03465	19.5
146.69513	0.9
147.01436	1.3
149.02902	3.4
155.01872	18.8
157.03464	13.1
161.02928	100.0
163.04466	1.6
167.01845	11.7
169.03415	4.8
171.05034	2.1
173.02937	34.1
175.04477	4.8
177.02393	1.1
179.01875	4.0
179.04004	1.6
179.65233	0.9
181.03474	1.0
185.02917	65.2
187.04474	7.9
191.03958	8.6
197.02925	26.3
199.04578	1.3
203.03995	22.9
215.03990	13.2
221.05020	4.5
227.03963	8.8
239.06065	1.5
245.05026	89.5
246.05316	1.4
257.04993	4.5
263.06076	28.4
275.06097	11.7
293.07068	3.6
305.07260	8.9
335.08121	2.0
365.09271	8.8
425.11331	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	424.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
55.05495	4.6
57.03415	0.7
57.07066	1.8
59.05005	0.7
67.05502	9.4
69.03445	1.3
69.07064	9.4
71.04972	0.9
73.32458	0.7
79.05120	0.8
79.05485	11.9
81.07047	100.0
83.04964	1.7
83.08598	4.6
84.69945	0.7
85.06518	3.1
89.06019	10.0
91.05455	7.4
93.07037	19.3
95.04954	1.8
95.08595	21.3
96.08915	0.8
97.06511	2.9
101.06012	0.8
101.88176	0.7
103.33787	0.7
105.07023	8.7
107.08594	12.8
109.06518	3.8
109.10152	12.4
110.75356	0.8
111.08060	1.4
111.36172	0.7
117.06985	3.3
119.08561	12.4
121.10158	8.2
123.11676	1.3
131.08549	1.3
133.08556	4.3
133.10080	6.8
133.74446	0.8
134.92659	0.7
135.07941	0.8
135.11678	5.7
137.09601	8.8
137.13220	9.3
145.10130	4.8
147.11684	7.0
149.13264	1.0
151.11205	1.9
155.10677	4.5
159.11691	6.9
161.13206	6.4
163.11162	3.9
163.14815	1.1
165.12697	1.4
175.14874	1.1
201.16437	1.6
203.17912	8.1
219.17435	14.1
223.24544	0.8
239.14819	8.4
369.18765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05501	5.5
57.03432	1.4
57.07065	1.9
59.04998	1.0
67.05494	10.6
69.03413	1.8
69.07070	7.9
71.04980	1.0
79.05479	10.4
81.07041	100.0
83.04975	1.6
83.08593	7.1
85.06524	3.7
89.06009	12.2
91.05467	8.6
92.09688	0.8
93.07024	21.8
95.04964	1.9
95.08584	21.5
97.06518	4.6
101.06023	1.3
105.07013	14.1
107.08593	16.6
109.06518	5.0
109.10145	14.6
111.08070	3.8
119.08564	14.3
121.06538	1.2
121.10149	8.6
123.08089	1.7
123.11690	4.2
131.08563	3.3
133.08601	3.8
133.10135	6.2
135.07977	0.9
135.11699	8.4
137.09573	9.3
137.13219	11.8
138.10423	1.3
145.10150	6.0
147.11678	7.0
148.94159	0.9
149.13202	1.2
151.11127	1.4
155.10672	4.1
159.11710	5.1
161.13277	4.6
163.11095	2.1
175.14787	1.1
177.11270	1.3
177.12764	1.3
201.16368	1.9
203.17908	10.8
219.17398	13.2
221.19020	0.9
237.18486	1.1
239.14949	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	424.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
55.05495	4.6
57.03415	0.7
57.07066	1.8
59.05005	0.7
67.05502	9.4
69.03445	1.3
69.07064	9.4
71.04972	0.9
73.32458	0.7
79.05120	0.8
79.05485	11.9
81.07047	100.0
83.04964	1.7
83.08598	4.6
84.69945	0.7
85.06518	3.1
89.06019	10.0
91.05455	7.4
93.07037	19.3
95.04954	1.8
95.08595	21.3
96.08915	0.8
97.06511	2.9
101.06012	0.8
101.88176	0.7
103.33787	0.7
105.07023	8.7
107.08594	12.8
109.06518	3.8
109.10152	12.4
110.75356	0.8
111.08060	1.4
111.36172	0.7
117.06985	3.3
119.08561	12.4
121.10158	8.2
123.11676	1.3
131.08549	1.3
133.08556	4.3
133.10080	6.8
133.74446	0.8
134.92659	0.7
135.07941	0.8
135.11678	5.7
137.09601	8.8
137.13220	9.3
145.10130	4.8
147.11684	7.0
149.13264	1.0
151.11205	1.9
155.10677	4.5
159.11691	6.9
161.13206	6.4
163.11162	3.9
163.14815	1.1
165.12697	1.4
175.14874	1.1
201.16437	1.6
203.17912	8.1
219.17435	14.1
223.24544	0.8
239.14819	8.4
369.18765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85720	1.1
53.03944	1.2
55.05505	22.8
57.03428	2.6
57.07055	6.2
67.05492	9.5
69.07061	14.7
71.04978	10.2
74.19370	1.3
79.05473	10.6
81.07041	44.0
81.63660	1.3
83.08607	56.8
85.06521	3.1
89.06003	8.9
91.05467	14.8
92.09274	2.5
93.07022	30.1
95.04954	5.8
95.08587	29.5
96.50965	1.2
97.06487	1.5
97.10130	2.2
105.07013	53.1
107.08581	27.6
109.06496	3.5
109.10132	30.3
117.06936	2.0
119.08562	54.0
121.10126	17.2
123.11673	19.4
131.08549	2.6
133.08607	1.5
133.10110	29.0
135.11700	14.1
137.09647	2.0
137.13277	1.6
145.10107	6.1
147.11665	43.6
149.02382	2.2
149.09616	1.7
149.13284	2.5
151.11227	1.6
158.38612	1.4
159.11684	6.9
160.12228	1.6
161.13226	13.3
163.11240	2.1
165.12880	1.5
175.14803	7.6
177.12813	1.9
191.17886	2.7
201.16306	5.4
203.17926	100.0
219.17465	6.6
221.18988	18.4
239.14854	2.9
263.80276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14429	0.5
51.50750	0.5
53.03944	2.4
55.05518	4.5
57.03431	3.4
57.07067	1.3
59.04995	1.3
65.03963	0.6
67.05501	8.8
69.07066	12.9
71.04990	16.3
79.05486	12.7
81.07049	100.0
82.07386	0.7
83.04966	0.6
83.08616	4.8
85.06541	26.9
89.06030	1.3
91.05479	10.2
93.07033	23.4
95.04966	2.4
95.08593	13.4
97.06515	3.0
101.36088	0.5
105.07019	9.5
105.07665	0.8
107.08583	22.9
109.06506	3.5
109.10179	5.9
111.08083	1.1
113.68940	0.7
117.07011	1.2
119.08570	5.7
121.10155	7.4
123.08072	1.2
123.11687	2.5
131.08557	3.3
131.58554	0.6
133.10104	4.2
135.11691	8.3
137.09593	0.8
137.13251	18.3
144.09311	0.7
145.10162	3.4
147.11729	0.9
149.13239	9.8
151.11217	1.2
159.11690	2.9
161.13235	0.9
163.14934	0.7
191.17877	0.9
201.16449	1.1
203.17967	1.2
212.30197	0.5
219.17502	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05510	24.0
57.07068	4.7
58.95602	1.6
59.04985	2.6
64.31570	1.5
65.03930	2.5
67.05496	51.7
67.42941	1.8
69.07058	31.7
71.04972	3.6
79.05471	43.2
81.07042	81.3
83.04959	12.8
83.08595	10.6
89.06001	16.0
91.05466	60.2
93.07030	54.0
95.04968	19.6
95.08594	44.2
97.06499	4.8
105.07021	68.2
107.08582	52.9
109.06515	7.8
109.10149	33.5
111.08080	1.9
119.08567	45.5
121.06499	4.7
121.10127	22.3
123.08075	3.2
123.11679	18.4
130.37434	2.0
131.08530	2.5
133.08574	3.3
133.10103	32.2
135.08017	3.3
135.11665	16.3
139.11169	3.7
145.10104	10.5
146.10382	3.0
147.11668	45.5
149.13184	2.3
151.11176	3.2
159.11652	4.6
160.12196	2.0
161.13269	14.3
175.14790	7.4
177.12726	2.6
203.17934	100.0
219.17334	4.3
221.18970	2.5
239.14868	4.5
242.88664	1.8
247.36610	2.2
298.13721	1.9
402.89267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.05513	9.6
57.07066	1.5
62.36042	0.9
63.72069	0.7
64.51829	0.9
65.03895	1.1
67.05493	13.4
69.03414	1.9
69.07056	12.5
71.04981	7.0
72.50553	0.8
73.46316	1.0
73.97001	0.7
74.66186	0.9
77.75410	1.1
79.05472	13.1
81.07041	100.0
82.07380	1.0
83.04928	1.4
83.08607	14.0
85.06526	5.9
89.06007	6.9
91.05466	14.7
93.07021	28.1
94.07363	1.2
95.04938	5.7
95.08588	22.7
97.06525	2.2
99.08006	1.0
105.07007	16.8
107.08592	23.9
109.06475	4.0
109.10126	10.2
111.08059	1.6
117.07008	1.1
119.08554	14.1
121.10139	12.0
123.08041	1.7
123.11697	3.9
127.11151	1.2
131.08530	4.4
133.08568	1.6
133.10095	7.1
135.08063	1.1
135.11656	11.0
137.13234	17.9
145.10117	3.9
147.11662	8.2
149.13229	5.2
151.11163	2.2
159.11629	2.3
161.13220	2.2
191.17947	1.7
203.17941	11.4
219.17389	3.9
221.19008	1.6
239.14897	4.6
317.17386	1.0
335.65036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
53.81379	0.7
55.05510	7.7
57.07059	2.8
65.03911	0.8
67.05499	9.7
69.03397	1.1
69.07056	10.3
71.04971	3.4
75.14552	0.9
79.05482	30.1
81.07044	22.5
83.04988	3.4
83.08645	2.0
85.06542	2.0
91.05463	19.5
92.09383	1.4
93.07030	100.0
94.07391	1.2
95.04964	5.0
95.08594	21.5
97.06514	14.9
99.04450	0.9
99.08108	1.9
105.07026	26.1
107.04972	1.2
107.08585	86.4
109.06518	4.8
109.10162	19.0
111.08098	7.5
113.09675	1.3
117.07040	3.5
119.08566	20.6
121.06503	9.4
121.10123	21.4
123.08054	4.8
123.11689	3.8
125.09644	4.7
127.07546	1.5
127.11186	3.3
131.08546	8.8
133.10127	14.1
135.08041	6.0
135.11682	67.8
137.09630	2.0
137.13341	0.9
137.70016	0.8
139.07533	57.7
141.09087	1.6
142.29622	0.8
145.10075	11.1
147.11667	9.4
149.09618	2.0
149.13246	19.9
149.14351	1.2
153.09106	12.8
157.10158	1.9
159.07999	1.7
159.11697	13.3
161.13237	14.2
163.07542	1.2
163.11154	3.1
163.14804	4.4
173.13182	6.1
175.11165	1.3
175.14844	3.8
176.14310	1.0
177.12718	6.4
177.16446	1.0
191.14307	9.2
191.17914	1.0
195.13831	4.3
195.69765	0.9
201.12762	1.3
201.16364	9.2
203.17932	6.3
209.15352	16.7
219.13821	8.7
219.17406	9.1
237.14821	25.0
237.18488	5.6
255.15875	2.1
282.51193	0.8
388.33536	0.8
396.68304	0.9
448.95694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.64827	0.6
55.05505	35.9
57.03423	0.8
57.04385	0.7
57.07061	1.8
59.04988	3.0
61.02937	0.9
63.40656	0.7
67.05486	5.2
69.03056	0.7
69.03403	5.5
69.07050	7.6
71.04987	1.4
79.05461	4.8
79.77120	0.6
81.03435	0.8
81.07040	8.1
83.04966	17.2
83.08603	30.7
85.02889	7.4
85.06523	5.4
91.05457	4.0
92.08675	0.8
93.07030	17.9
94.83777	0.8
95.04948	13.0
95.08589	6.9
97.02891	3.0
97.06513	7.8
97.10159	6.2
99.04446	3.7
105.07002	8.1
107.08575	27.8
109.05797	1.0
109.06497	9.7
109.10135	18.9
111.08086	6.7
111.08705	0.8
115.07549	6.0
117.07001	1.0
119.08570	8.0
121.05048	0.8
121.10127	53.4
123.08072	1.5
123.11696	8.6
125.09615	8.2
127.03922	0.8
131.08543	3.5
133.10107	14.2
135.08051	1.7
135.11678	3.9
139.11165	1.3
143.08521	0.8
145.04945	1.2
145.10056	1.4
147.11655	3.7
149.13263	5.6
151.11166	26.5
153.09102	4.5
163.14815	8.0
167.14282	32.8
173.13208	8.7
175.14763	8.7
191.14287	11.1
193.15837	2.8
209.15334	100.0
227.16385	5.5
245.10057	1.1
275.46414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11219	0.7
55.05233	1.0
55.05502	28.5
57.03416	3.2
57.04228	0.7
57.07044	0.7
59.04982	3.0
61.02906	1.8
64.32663	0.7
67.05487	4.9
69.03410	6.6
69.07049	7.3
71.04968	8.1
73.02903	0.8
79.05478	4.1
81.03389	1.1
81.07047	7.3
83.04969	18.1
83.08607	24.1
85.02877	10.3
85.06532	3.4
87.17113	0.7
91.05484	5.4
93.07017	18.9
95.04946	56.8
95.08582	6.6
97.02873	3.4
97.06521	4.9
97.10165	5.5
99.04434	14.4
99.08057	1.2
105.07016	7.1
105.86462	0.7
107.08578	21.1
109.02808	0.9
109.06466	5.6
109.10133	12.4
111.08056	4.7
113.09628	0.8
115.07520	1.1
119.08543	9.4
121.10115	37.9
123.08032	1.7
123.11651	4.9
125.09610	5.0
127.03922	1.6
131.08543	3.4
133.10097	19.9
135.07985	0.9
135.11687	3.5
137.09570	0.9
145.10080	1.5
147.11703	5.5
149.13268	6.4
151.11156	28.6
153.09088	16.7
158.10817	1.2
163.14749	8.7
167.12845	1.0
167.13086	0.8
167.14278	35.9
173.13228	4.5
175.14775	10.3
191.14250	8.8
209.15332	100.0
227.16373	9.4
245.17415	1.3
425.14072	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	32.2
57.07064	3.1
57.36317	1.7
59.04985	2.3
63.60271	1.9
67.05479	9.7
69.03407	8.7
69.07059	16.0
71.04971	10.3
79.05474	8.5
81.07035	21.7
83.04987	18.8
83.08607	22.3
85.02892	18.0
85.06497	8.4
91.05439	3.9
93.07011	23.0
95.04946	61.4
95.08580	11.9
97.02842	3.4
97.06505	23.8
97.10180	2.9
97.90775	2.1
99.04439	14.3
105.07006	18.5
105.24837	2.1
107.08588	31.9
109.06481	23.5
109.10128	14.1
111.08046	3.8
115.07550	23.6
119.08580	22.4
120.08714	2.7
121.10120	58.5
123.11667	3.6
125.09604	9.8
131.08533	9.7
133.10104	46.9
135.08037	3.0
135.11705	3.9
145.10164	3.8
147.11674	15.4
149.13278	14.0
151.11140	25.0
153.09044	15.5
159.61440	2.3
163.14783	9.8
167.14282	26.6
173.13318	22.4
173.77620	2.0
175.14781	47.3
191.14243	18.8
193.15858	12.6
203.28526	2.2
209.15356	100.0
216.77216	2.3
227.16327	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.8
55.01871	1.9
55.05508	33.6
57.03424	3.1
57.07040	1.9
61.02912	3.6
62.53667	1.5
64.49612	1.7
67.05493	9.8
69.03429	13.1
69.07064	14.2
71.04971	13.6
71.95189	1.7
79.05463	10.9
81.07045	28.0
83.04977	27.5
83.08606	23.2
85.02891	25.8
85.06532	3.6
85.34410	1.8
87.04414	2.2
87.05598	2.5
88.03978	3.0
91.05459	10.6
92.09331	3.2
93.07039	24.9
95.04954	28.8
95.08607	16.0
97.02875	6.9
97.06522	15.0
98.97572	2.7
99.04448	3.8
103.49185	2.2
105.07032	21.9
107.08592	33.1
109.02892	2.3
109.06497	22.3
109.10165	24.7
111.08062	9.3
119.08570	15.4
121.06465	2.3
121.10123	46.0
123.04373	2.0
123.08030	4.6
123.11681	10.3
125.09610	12.0
127.03903	3.3
131.08562	15.7
133.10127	59.8
135.08069	8.1
135.11691	9.4
137.09601	3.9
139.11201	3.8
145.04990	2.1
145.10086	12.3
147.11700	13.6
149.09618	2.4
149.13246	15.4
151.11188	20.8
153.05452	2.3
153.09102	12.6
158.10892	3.0
161.13193	2.5
163.14784	12.5
167.14291	28.8
173.13245	27.6
191.14308	25.3
209.11934	5.9
209.15350	100.0
227.16441	19.4
245.17464	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87842	0.8
53.03936	0.8
55.05507	30.2
57.03430	1.7
57.07057	1.2
59.05001	1.1
61.02922	1.1
62.10330	0.8
67.05490	4.7
69.03413	7.5
69.07056	5.7
71.04980	11.4
79.05479	3.6
81.03397	6.8
81.07056	9.9
83.04972	17.2
83.08604	23.1
85.02892	20.0
85.06552	3.9
91.05459	4.1
92.09237	1.0
93.07026	20.8
95.04955	85.4
95.08609	6.1
97.02887	2.1
97.06517	4.8
97.10155	4.2
99.04436	16.9
99.08117	1.0
105.07019	8.7
107.04982	1.6
107.08581	26.2
109.02851	1.2
109.06508	6.1
109.10144	15.9
111.08071	5.6
112.08874	0.9
119.08591	8.8
121.10130	46.3
123.08036	2.2
123.11694	4.8
125.09612	6.6
125.59553	0.9
127.03893	2.2
129.05466	1.7
131.08601	3.6
133.10126	15.3
135.08000	1.3
135.11697	4.3
139.11171	4.0
145.04980	1.0
145.10144	2.0
147.11714	5.3
149.09628	1.3
149.13254	4.6
151.11172	23.9
153.09073	22.2
163.14832	7.0
165.12726	1.1
165.14070	1.2
167.14299	25.0
167.15587	1.4
173.13203	8.8
175.14796	8.5
191.14328	13.6
193.15894	3.8
209.15343	100.0
227.16368	10.4
262.10693	1.2
371.20718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48442	1.1
54.82483	1.6
55.05273	1.9
55.05505	31.4
57.03428	2.4
57.07053	2.8
58.47836	1.3
58.72932	1.3
59.04979	1.6
67.05488	6.5
69.03397	6.3
69.07052	10.3
71.04969	2.3
72.44599	1.3
79.05415	2.1
81.07027	12.3
83.04959	15.0
83.08598	30.1
84.37288	1.3
85.02895	10.9
85.06522	2.7
90.78497	1.5
91.05457	3.1
93.07018	21.1
95.04955	20.9
95.08588	10.5
97.02878	1.7
97.06496	8.9
97.10129	6.2
99.04428	3.3
99.08048	2.3
105.06991	9.1
107.08572	28.8
109.06519	11.2
109.10132	15.0
111.04502	1.7
111.08072	6.7
119.08559	8.1
121.10114	42.2
123.08034	3.4
123.11692	9.4
125.09579	7.0
131.08566	6.0
133.10109	21.5
135.11658	6.0
137.09610	2.0
139.11145	6.5
145.10074	3.0
147.11711	12.1
147.13898	1.6
149.13200	3.2
151.11172	27.7
153.01814	3.0
153.09067	6.5
163.14778	7.0
167.14278	29.6
171.02798	1.5
173.13210	9.1
191.14291	14.2
195.02884	2.2
209.15331	100.0
227.12904	1.7
227.16426	25.9
245.17345	2.9
337.79028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	15.3
57.03423	1.9
57.17494	0.8
58.40399	0.8
61.02908	1.5
67.05490	4.3
69.03426	11.3
69.07056	11.6
71.04984	2.5
72.40838	1.0
77.27907	1.0
79.05478	6.7
80.69750	0.9
81.07035	11.1
85.02895	7.2
85.06538	9.6
86.47906	1.0
87.21358	0.9
90.71729	1.1
91.05439	1.2
93.07030	18.0
95.04950	5.2
95.08590	12.8
97.02895	2.1
97.06527	15.0
99.04444	6.9
105.07008	16.3
107.04882	1.2
107.08582	49.4
109.06506	10.5
109.65901	1.0
111.08089	1.8
111.11717	1.1
113.06013	4.4
119.08566	2.7
121.06496	7.7
121.10143	18.3
123.08086	8.4
125.05911	1.2
128.54028	0.9
131.08585	1.1
135.08075	1.8
135.11676	11.7
145.10130	16.7
147.11664	2.4
149.09612	6.2
151.07500	10.6
163.11160	42.8
165.12674	1.2
166.64261	1.1
167.10666	17.2
169.08574	98.7
173.09564	4.2
181.12234	15.9
185.11707	5.7
191.10716	10.3
209.11736	10.5
227.12746	100.0
245.13727	5.5
285.25150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04137	0.6
53.00295	0.6
53.03935	3.3
54.65613	0.6
55.01867	1.2
55.05499	2.9
57.03428	15.6
59.05005	1.0
61.02911	2.7
67.05491	1.7
69.03411	4.8
69.07051	1.6
71.04978	77.9
73.02908	5.2
75.04472	5.2
75.89530	0.7
79.05477	18.8
81.03388	1.5
81.06543	1.7
81.07039	96.0
83.04970	10.1
85.02890	100.0
85.06490	1.1
87.04459	3.0
91.05459	3.0
92.08703	0.9
93.07017	6.8
95.04948	3.5
95.08585	20.8
97.02866	4.7
97.06518	3.5
99.04436	2.9
101.06017	1.3
105.07016	3.9
107.08578	4.6
109.02874	1.0
109.06503	1.1
109.10156	1.0
111.04422	4.3
111.08057	1.2
113.09610	1.4
115.03918	1.3
119.08561	2.7
121.06449	0.6
121.10095	5.8
123.08041	4.2
127.03882	3.5
127.07542	0.7
129.05444	23.5
131.08542	1.1
133.10118	3.9
135.08009	1.4
135.11699	0.8
137.05930	1.0
143.08640	0.8
145.04929	3.4
145.10126	3.4
147.06483	11.5
147.11635	0.9
149.09608	1.2
163.11176	1.3
163.14810	1.2
164.09167	4.5
166.09422	0.7
173.13298	1.1
181.12224	4.2
199.13141	0.8
209.11671	1.4
209.15363	3.7
227.12788	3.3
227.16350	1.7
250.49896	0.7
255.08891	0.8
255.74222	0.8
261.11053	1.3
262.10989	1.4
309.11670	0.9
345.61609	0.7
424.16498	4.2
429.36298	0.9
432.92276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	17.3
55.05492	3.1
57.03410	2.0
57.07053	1.1
61.02885	0.8
61.61924	0.4
67.05493	6.7
69.03414	7.8
69.07050	13.6
71.04974	5.0
79.05470	8.5
81.03380	0.7
81.07030	12.2
83.04945	2.4
85.02897	6.2
85.06527	10.7
87.68642	0.5
91.05450	3.2
93.07021	23.3
94.63036	0.4
95.04938	7.0
95.08014	0.8
95.08587	18.1
97.02845	1.8
97.06506	13.9
99.04429	8.6
99.55169	0.4
105.06288	0.5
105.07011	15.9
107.04910	2.6
107.08573	52.8
109.06496	9.6
109.10120	2.5
111.04437	0.5
111.08067	3.4
113.05995	6.1
117.06986	2.0
119.08556	5.0
121.06502	9.2
121.10120	22.7
123.08050	9.9
123.11634	1.8
125.05963	2.7
127.07520	1.6
130.07704	0.5
131.08549	2.6
133.06453	0.7
133.10115	0.8
133.98009	0.4
135.07996	3.2
135.11659	9.9
137.09575	2.3
138.09937	0.5
139.07523	0.6
139.10173	0.6
139.11147	3.5
143.08586	0.7
144.39822	0.5
145.10104	17.3
147.11638	2.4
149.09613	8.6
151.07527	12.7
153.12711	2.2
157.08554	1.0
158.07306	0.5
161.09576	2.6
162.09877	1.0
163.11150	39.7
165.09097	1.7
165.12677	0.5
166.09428	0.8
167.09328	0.8
167.10635	17.4
169.08563	100.0
173.09554	3.6
179.43631	0.5
181.12204	17.6
185.11725	5.3
185.80334	0.4
191.10631	12.8
207.10109	0.7
208.10385	0.7
209.11746	9.2
209.15250	0.6
225.11174	1.0
226.11359	0.5
227.12744	96.4
245.13748	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01861	1.8
57.03416	1.7
61.02912	4.2
64.11178	0.7
69.03416	8.3
69.07737	0.6
72.62405	0.8
73.02894	3.2
79.05485	2.0
81.03392	3.7
81.07030	1.1
85.02887	27.4
89.03897	1.9
91.05455	17.6
92.08645	0.9
93.07012	9.8
95.04932	5.1
97.02861	7.6
103.05448	16.1
105.03358	4.1
106.04169	0.7
107.04937	6.8
109.02888	1.1
109.06486	10.2
114.04615	0.8
117.03349	3.0
118.04132	1.0
119.04926	8.8
120.05695	1.5
121.06469	29.7
122.03559	0.8
123.04420	1.8
124.05113	1.0
127.03883	3.1
131.04901	23.3
133.02824	45.0
134.03618	3.5
135.04393	5.3
137.05942	29.0
137.06923	1.5
140.04642	1.0
145.02847	3.9
145.04947	3.2
147.04385	5.4
148.05145	9.3
149.05952	45.0
152.04761	1.0
153.05449	1.4
159.04366	15.3
162.03094	1.1
163.03891	4.3
163.07494	1.7
165.05432	38.1
167.05869	0.8
167.06993	72.1
176.04671	5.1
177.05429	100.0
178.06200	1.6
181.08624	3.6
182.05679	6.9
191.07010	5.6
194.05678	4.5
197.08038	49.0
209.08049	62.0
227.09087	30.9
243.06288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04137	0.6
53.00295	0.6
53.03935	3.3
54.65613	0.6
55.01867	1.2
55.05499	2.9
57.03428	15.6
59.05005	1.0
61.02911	2.7
67.05491	1.7
69.03411	4.8
69.07051	1.6
71.04978	77.9
73.02908	5.2
75.04472	5.2
75.89530	0.7
79.05477	18.8
81.03388	1.5
81.06543	1.7
81.07039	96.0
83.04970	10.1
85.02890	100.0
85.06490	1.1
87.04459	3.0
91.05459	3.0
92.08703	0.9
93.07017	6.8
95.04948	3.5
95.08585	20.8
97.02866	4.7
97.06518	3.5
99.04436	2.9
101.06017	1.3
105.07016	3.9
107.08578	4.6
109.02874	1.0
109.06503	1.1
109.10156	1.0
111.04422	4.3
111.08057	1.2
113.09610	1.4
115.03918	1.3
119.08561	2.7
121.06449	0.6
121.10095	5.8
123.08041	4.2
127.03882	3.5
127.07542	0.7
129.05444	23.5
131.08542	1.1
133.10118	3.9
135.08009	1.4
135.11699	0.8
137.05930	1.0
143.08640	0.8
145.04929	3.4
145.10126	3.4
147.06483	11.5
147.11635	0.9
149.09608	1.2
163.11176	1.3
163.14810	1.2
164.09167	4.5
166.09422	0.7
173.13298	1.1
181.12224	4.2
199.13141	0.8
209.11671	1.4
209.15363	3.7
227.12788	3.3
227.16350	1.7
250.49896	0.7
255.08891	0.8
255.74222	0.8
261.11053	1.3
262.10989	1.4
309.11670	0.9
345.61609	0.7
424.16498	4.2
429.36298	0.9
432.92276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.8
70.62193	0.5
71.95258	0.8
73.98537	0.6
75.30821	0.6
76.33182	0.6
76.57131	0.5
80.17255	0.6
90.90300	0.5
91.25520	0.6
94.64622	0.8
97.27428	0.6
97.28132	0.6
98.97562	92.0
102.26706	0.5
116.98598	79.4
119.01923	1.4
128.44339	0.6
134.99641	39.7
153.00645	6.2
172.56779	0.6
177.00905	4.2
179.00766	0.7
181.07437	0.5
200.31645	0.6
202.24779	0.6
202.89859	0.7
219.01994	2.8
234.99855	3.1
238.97031	0.6
240.98502	4.0
250.78897	0.7
256.96658	1.0
258.99719	45.6
260.00027	1.0
260.99927	3.7
261.03049	9.7
262.03088	2.2
263.02896	1.2
269.50073	0.6
274.97592	0.9
277.00757	100.0
278.00983	4.7
279.00824	4.9
283.00049	3.9
284.00049	3.2
284.99780	13.5
295.01840	1.0
298.97668	0.8
300.02591	0.6
301.00983	8.0
302.01105	5.2
303.00793	27.6
304.00903	0.8
304.68100	0.7
316.98770	1.2
321.01944	2.5
350.69165	0.6
382.95786	4.0
383.00427	1.1
399.97803	3.4
400.97498	17.5
401.01288	9.8
401.97455	0.9
419.01883	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	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01852	3.6
55.05492	5.7
55.05725	0.8
57.03429	8.5
60.60983	0.7
61.02915	2.0
62.58879	0.8
65.03925	4.5
67.05489	1.9
68.99754	1.4
69.03410	6.3
69.07059	1.8
69.66203	0.8
71.04965	3.9
73.02916	1.3
74.51183	0.8
75.04451	1.9
79.05475	4.3
81.03406	5.3
81.07040	7.9
83.04971	3.7
85.02891	18.7
86.09656	1.0
91.05452	4.6
93.03398	2.0
93.07027	5.6
95.04947	9.4
95.08593	1.1
97.02871	7.2
97.06539	1.3
99.04458	1.2
100.11224	5.8
101.06017	1.3
103.05463	1.4
105.07018	6.1
107.04950	3.7
107.08553	2.1
109.06484	4.8
109.10134	4.2
111.04425	34.0
117.06975	1.7
119.04958	0.9
119.08585	1.8
121.02859	1.2
121.03941	1.0
121.06468	7.6
121.10104	2.1
123.04403	10.4
125.06002	1.1
125.76980	1.0
127.03931	3.6
131.08496	1.9
133.06462	1.5
133.10133	1.3
133.49388	1.0
135.04399	1.9
135.07985	1.3
137.02399	0.9
137.05972	1.4
139.03882	81.2
139.07483	1.0
140.04634	1.1
141.05444	1.0
145.10144	3.4
147.11575	0.9
148.05182	1.2
149.05962	5.6
149.09576	1.1
151.03876	1.3
151.07552	2.1
153.05478	1.4
154.02609	3.4
156.04140	40.0
161.77284	0.9
163.03845	1.7
165.05476	7.5
167.06990	1.3
169.04921	17.6
170.05750	8.1
171.06497	47.1
177.05415	3.2
182.00198	1.0
182.05737	3.8
183.06537	5.1
191.10617	1.7
191.14252	2.1
194.05742	4.2
195.06473	12.3
197.08073	2.2
209.08084	12.9
209.11681	4.5
209.15277	2.1
213.07565	4.4
227.12723	2.0
227.17590	1.6
245.10146	100.0
274.55923	0.9
278.12299	0.9
313.65399	1.1
424.15802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
54.81603	0.4
55.01857	2.1
55.05494	0.4
56.96519	0.5
57.03414	0.7
58.47801	0.4
60.08131	0.6
61.02897	2.3
69.03416	3.8
70.61061	0.4
72.08102	0.4
73.02905	0.9
78.04704	0.6
79.05470	0.8
81.03384	2.3
85.02890	12.6
91.05456	4.8
92.64033	0.4
93.07021	3.2
95.04942	1.8
97.02879	3.1
98.69522	0.4
98.97545	0.7
103.05445	5.6
105.07018	0.7
106.04156	0.6
107.04943	4.0
107.08582	0.4
109.02876	1.0
109.06499	1.7
111.04398	0.4
117.03320	1.0
119.04909	2.2
120.05703	0.6
121.06486	12.2
123.04430	2.9
124.05161	2.3
127.03876	2.2
131.04893	8.3
133.02840	5.5
133.06491	0.6
134.03600	2.2
135.04369	1.9
136.07515	0.4
137.05957	12.7
140.04651	2.8
145.02823	1.9
146.17291	0.4
147.04388	3.4
148.05153	2.3
149.05951	19.0
154.08615	1.5
155.07016	1.0
159.04419	5.6
163.03857	1.0
165.05463	3.9
167.07004	100.0
176.04633	0.8
177.05431	37.0
179.06996	0.5
180.07846	1.0
181.08545	0.7
185.06245	0.6
191.06979	1.8
194.05724	1.7
197.08086	4.7
209.08076	19.3
209.15355	0.6
211.09602	0.8
227.09109	31.9
233.08401	0.4
237.02736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84542	2.2
53.03942	3.0
54.81783	1.7
55.05507	28.3
56.31156	1.8
57.07055	11.1
59.82710	1.9
67.05490	47.9
69.03416	4.4
69.07052	42.4
73.65511	2.4
79.05476	39.1
81.07036	100.0
82.22865	2.0
83.04949	2.3
83.08604	27.2
91.05460	32.5
93.07024	71.9
95.04935	9.7
95.08009	3.6
95.08582	68.3
105.07022	54.3
107.08574	73.3
109.06491	10.1
109.10139	58.0
111.08051	9.6
117.07000	9.9
119.08560	59.1
121.10126	43.4
121.14915	2.5
123.08025	2.7
123.11686	22.1
128.06131	2.6
129.06990	3.8
131.08513	22.0
133.10114	37.2
135.11671	25.0
137.13237	4.3
140.00571	2.5
141.06998	2.9
142.07770	5.2
143.08528	14.9
144.06575	2.2
144.09315	3.3
145.10107	31.3
147.11658	30.5
149.13202	15.3
151.11169	5.2
155.08513	5.0
156.09306	4.8
157.10117	21.3
158.10600	2.6
159.11682	39.5
161.13255	16.6
168.09377	2.8
169.10062	10.7
170.10851	9.8
171.11639	25.4
172.12358	2.5
173.13225	24.2
175.14764	5.4
177.16327	3.2
183.11655	10.1
185.13213	18.2
187.14783	21.5
189.16377	4.5
195.11761	3.7
196.12469	3.5
197.13222	12.7
199.14757	13.8
201.16388	11.4
203.17932	3.8
211.14731	5.7
213.16370	15.0
215.17873	9.5
217.19485	2.8
225.16370	10.6
226.17090	2.7
227.17892	13.6
229.19412	5.2
237.16364	2.8
239.17892	11.1
241.19611	8.6
255.20964	5.6
257.22629	2.9
267.20938	2.7
269.22592	9.5
271.24249	2.3
281.22641	4.7
285.25693	3.0
293.22348	3.4
295.24075	3.4
301.77344	2.4
323.27200	4.2
337.28894	11.8
349.28711	4.1
405.35150	21.5
423.36090	23.6
436.70450	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41914	1.0
53.00304	1.0
53.03940	4.9
53.49885	1.0
55.01880	1.4
55.05501	33.9
56.96540	1.2
57.07071	9.7
59.13545	1.0
65.03920	2.0
67.05499	40.6
69.03430	6.5
69.07055	41.3
71.04963	2.1
72.22875	1.5
74.93804	1.1
79.05470	37.9
81.07039	100.0
83.04977	5.0
83.08601	24.9
91.05455	34.4
92.06310	1.2
93.07021	73.0
95.04948	8.6
95.08583	60.5
97.06505	1.6
97.10156	5.1
103.05422	1.4
105.07011	55.4
107.08573	70.7
109.06532	10.0
109.10143	53.1
111.08064	7.2
111.11732	1.2
115.63262	1.2
117.07028	9.6
119.06081	2.2
119.08562	60.3
121.10126	38.7
123.08063	2.9
123.11684	20.9
125.09631	2.8
129.06973	5.4
130.07747	1.6
131.08536	22.7
133.10115	42.2
135.07977	1.4
135.11678	25.2
137.09601	1.9
137.13242	5.3
142.07759	6.2
143.08536	16.6
144.09296	6.7
145.10097	35.3
147.11671	29.2
149.09535	1.3
149.13219	10.1
151.11176	9.8
155.08560	3.2
156.09380	9.0
157.10074	23.1
158.10916	2.1
159.11665	36.4
161.13226	19.9
163.14812	8.9
168.09303	1.7
169.10118	8.6
170.10898	6.5
171.11649	21.9
172.12456	1.7
173.13200	23.0
175.14755	9.6
177.16319	2.9
181.10143	5.2
183.11661	10.9
184.12532	2.3
185.13203	16.2
187.14796	13.4
189.16322	8.7
195.11703	2.5
196.12451	1.3
197.13228	11.2
198.14009	1.3
199.14783	14.2
201.16376	10.5
203.17949	5.8
209.13213	4.7
211.14793	10.9
212.15472	2.3
213.16380	10.0
215.17833	8.7
217.19534	2.7
223.14798	5.7
225.16388	9.0
226.17279	1.6
227.17926	7.0
229.19594	5.8
237.16330	2.0
239.17851	2.9
241.19450	8.4
243.21080	4.9
253.19534	4.9
255.21031	5.7
265.19577	2.0
267.21072	5.4
269.22531	2.7
279.20871	2.5
281.22589	6.2
283.24231	2.0
285.25726	5.7
293.22705	2.8
295.24097	2.6
297.25571	2.1
309.25580	2.1
323.27304	2.8
324.28070	3.1
337.28879	13.1
349.28775	2.8
367.29944	1.8
390.36868	1.4
405.35062	23.4
423.36063	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03274	3.3
55.05494	6.8
57.07050	3.5
59.42107	3.1
67.05482	14.6
69.07053	24.9
79.05470	8.1
81.07038	37.6
83.08607	6.5
91.05467	19.1
93.07022	24.4
95.08592	38.4
105.07006	68.1
107.08599	33.8
109.06520	4.5
109.10186	25.9
117.06965	3.6
119.08565	100.0
121.10107	22.6
123.11661	8.7
131.08594	12.5
133.10091	35.3
135.11696	14.0
137.06000	3.6
145.10085	23.8
147.11638	17.8
149.13220	15.9
159.11679	30.4
161.13177	7.8
163.11160	7.3
163.14682	3.8
171.11667	5.0
173.13248	15.9
175.14803	9.1
176.23120	3.9
177.16435	4.8
185.13110	4.3
189.16319	4.9
193.33328	3.8
201.16379	16.3
203.17940	27.0
205.19421	6.7
214.85985	3.5
215.17947	6.5
216.73335	3.8
217.19464	3.8
219.17418	21.4
220.24170	4.2
405.34921	24.0
423.36014	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.00297	0.4
53.03935	1.9
55.01862	0.7
55.05500	5.7
56.96555	1.2
57.07064	2.0
59.04983	0.9
61.73966	0.4
65.03899	0.5
67.05498	9.6
69.03384	0.7
69.07054	11.3
71.04969	1.8
79.05478	13.6
79.51487	0.5
80.05828	0.7
81.07037	21.7
83.04973	1.0
83.08609	4.0
85.06519	1.0
91.05461	18.3
92.05823	0.5
93.07022	100.0
94.07351	0.9
95.04948	5.3
95.08588	17.5
96.08866	0.6
97.06522	0.9
97.10130	1.0
103.05437	0.9
105.04525	0.8
105.07014	22.5
105.55323	0.5
106.07346	0.8
107.04953	0.9
107.08578	24.1
107.90494	0.4
108.08897	1.9
109.06507	4.6
109.10140	12.1
110.10478	0.7
111.08080	2.0
114.35835	0.5
117.07012	2.3
119.08564	19.4
120.08894	0.8
121.06528	2.1
121.10120	75.2
122.10561	0.4
122.50468	0.4
123.08035	2.6
123.11686	7.2
125.09589	0.6
128.06308	0.6
129.06979	2.1
131.08568	6.1
132.08900	0.7
133.10106	12.5
134.10469	0.8
135.08041	3.4
135.11670	12.9
136.12048	0.7
137.09612	1.1
137.13243	2.5
139.07449	0.6
140.68091	0.5
141.06931	0.4
142.07762	0.5
143.08540	3.7
145.10129	8.7
146.10474	1.1
147.08096	0.8
147.11665	8.3
149.09592	0.8
149.13252	5.7
151.11156	0.8
155.08568	0.7
156.09383	0.5
157.10098	4.3
158.10709	0.6
159.11679	7.8
160.11993	0.6
161.09668	0.8
161.13220	5.4
163.11185	0.9
169.10091	0.7
171.11681	3.1
173.13240	2.7
175.14780	3.5
177.12773	0.7
177.16298	4.0
185.13219	2.5
187.14729	3.6
189.16367	2.7
191.14185	0.7
193.15805	1.0
193.56844	0.5
199.14836	2.2
201.16347	4.0
202.16702	0.7
203.17911	5.7
205.15732	0.8
213.16376	2.7
215.17926	2.2
217.15930	1.0
217.19473	5.3
219.17490	3.1
225.16512	0.5
227.17961	3.0
229.19485	2.5
231.17354	0.6
236.17216	0.7
241.19487	0.6
243.21170	1.1
253.19571	0.9
257.22672	1.2
269.22479	0.9
281.22760	0.8
283.24176	0.7
287.23767	4.2
321.25671	2.2
365.31866	0.8
367.29938	2.3
374.28149	0.5
405.35074	48.1
423.25183	4.0
423.36246	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	422.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51321	0.9
53.03931	7.3
54.82160	1.2
55.01860	2.9
55.05509	36.5
55.31736	1.1
57.07085	1.4
58.99710	1.3
59.04985	1.8
61.50878	1.3
65.03931	1.3
67.05497	19.5
69.07055	12.1
69.91701	1.1
71.04981	13.6
79.05476	13.5
81.07035	55.0
81.07473	2.5
83.04976	1.6
83.08604	100.0
85.06540	5.7
91.05462	31.5
93.07026	43.0
93.07573	2.3
95.04954	14.8
95.08585	22.1
97.06510	1.8
97.22489	1.2
105.04506	1.5
105.07021	25.0
107.08561	20.5
109.06512	5.7
109.10144	37.6
111.08085	2.3
117.06975	1.9
119.08542	17.7
121.06478	1.7
121.10111	12.3
123.08055	2.9
123.11672	2.8
125.95905	1.4
131.08542	7.9
133.10100	15.5
135.08080	6.0
135.11705	8.5
137.09631	6.7
137.13235	2.0
145.10069	10.4
147.11652	14.4
149.09589	5.1
149.13268	1.4
159.11664	8.4
161.09570	1.6
161.13260	8.0
163.14836	6.3
175.11169	5.8
187.14822	8.3
189.16321	6.8
191.17868	2.9
201.16382	2.2
203.17899	3.2
205.15862	8.3
217.15828	1.9
219.17395	9.1
221.18929	2.6
233.15398	8.3
235.16798	2.3
269.17368	23.0
383.73291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.11974	1.3
55.01850	1.6
55.05509	13.9
57.07068	2.9
59.04978	2.2
64.33574	1.4
67.05489	14.8
69.03381	1.4
69.07047	14.1
71.04978	6.7
71.12675	1.3
72.17757	1.3
79.05480	12.5
81.06593	2.6
81.07038	47.9
83.04990	1.9
83.08608	9.0
85.06530	7.1
89.55780	1.3
91.05463	30.2
92.08582	1.6
93.07028	100.0
94.07315	2.5
95.04951	13.8
95.08587	31.3
97.06531	7.4
97.10105	1.7
102.72881	1.6
105.07017	46.6
107.08571	41.5
109.06505	3.3
109.10146	45.8
111.08087	21.5
113.09599	1.9
117.06978	5.9
119.08555	40.6
121.10128	25.2
123.08112	1.9
123.11701	3.6
125.09578	3.7
127.11160	7.8
131.08545	9.2
133.10086	18.6
135.11688	10.7
137.09598	6.5
137.13245	2.7
139.07500	8.2
144.09357	1.9
145.10094	27.4
147.11659	9.4
149.13203	7.4
151.11206	3.1
153.09105	3.1
159.11668	30.9
161.13219	44.2
163.11220	2.3
173.13239	16.8
175.14813	2.9
177.16344	6.6
191.14290	7.4
201.16408	17.3
209.15327	3.4
219.17421	28.3
233.15193	2.1
237.18434	11.0
251.16330	2.8
251.21048	2.0
304.18198	1.8
404.35608	1.8
421.36710	2.5
422.36880	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	422.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08313	1.1
53.03930	2.3
54.28811	1.1
55.01859	7.2
55.05505	13.1
57.07067	1.6
59.04979	1.6
61.02889	1.2
67.05498	24.8
69.03419	1.8
69.07058	18.3
70.14326	1.4
71.04975	8.8
79.05478	17.1
81.06593	2.6
81.07043	49.3
83.04984	2.5
83.08595	9.3
85.06519	7.6
85.97428	1.3
90.80260	1.7
91.05468	33.1
91.30143	1.2
93.07027	100.0
95.04945	7.9
95.08592	39.2
97.06527	5.7
97.10107	1.4
99.08068	1.6
101.05991	2.4
105.04505	1.7
105.07019	58.1
107.08585	51.2
109.06478	8.0
109.10149	70.5
109.47724	1.3
111.08073	24.0
111.13847	1.6
113.09667	2.5
117.07018	3.4
119.08574	53.2
120.40216	1.5
121.10127	36.9
123.11687	6.5
125.09600	8.7
127.01675	1.4
127.11179	21.4
131.08565	10.5
133.10115	26.9
135.11652	10.6
137.09578	1.7
137.13232	2.7
139.11176	5.3
144.09360	3.0
145.10117	42.4
147.11688	10.4
149.13194	3.4
151.11110	1.8
159.10367	2.0
159.11676	48.3
161.13234	88.1
161.14552	3.3
163.11089	1.7
173.13242	12.9
175.14795	9.6
177.12817	2.0
177.16351	9.5
179.14302	2.9
191.14261	2.4
191.17955	2.2
201.16362	37.2
203.17712	1.5
219.17422	41.7
237.18451	25.0
286.46021	1.7
424.96243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01869	4.4
55.05500	10.4
57.07058	2.9
57.49550	1.8
65.69479	1.8
65.82296	1.7
67.05492	24.0
69.07056	15.6
71.04981	13.9
79.05480	26.4
80.06270	1.9
81.07034	45.5
81.73786	2.0
83.04947	2.7
83.08608	4.8
85.06552	7.6
91.05457	31.0
92.79014	2.1
93.07032	100.0
93.24366	1.8
95.04951	11.4
95.08587	46.1
97.06517	4.2
101.05980	2.1
105.07020	61.6
107.08581	49.9
109.06521	8.5
109.10150	65.9
111.08078	19.9
113.09660	2.4
117.07005	3.2
119.08572	56.5
121.10142	40.3
123.08073	3.3
123.11655	4.4
125.09598	8.9
127.11176	22.9
131.08548	13.1
131.31322	2.4
133.10114	24.2
135.08112	2.1
135.11673	15.0
143.08504	2.0
144.09222	2.7
145.10112	38.1
147.11685	10.9
149.09544	1.9
149.13232	3.6
159.11678	46.0
161.13242	67.2
163.11200	2.6
173.13239	10.2
175.14816	8.9
177.12752	3.9
177.16339	3.8
179.14299	3.0
191.14157	2.5
201.16367	39.4
219.17409	46.8
221.39760	1.8
235.16983	2.3
237.18465	25.3
275.13922	1.9
374.34662	2.1
416.92285	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43069	0.6
54.50747	0.7
55.01849	0.8
55.05495	4.6
57.03411	1.0
57.07067	0.8
61.02910	1.8
61.24581	0.8
67.05492	8.5
69.03417	4.6
69.07056	6.2
71.04978	8.1
79.05464	6.6
80.47054	0.7
81.03394	1.7
81.07041	13.6
83.04962	3.1
83.08611	1.5
85.02891	13.3
85.06547	6.3
91.05467	6.4
93.07021	32.9
95.04935	4.0
95.08586	22.5
97.02848	3.9
97.06500	7.5
99.04401	0.8
105.07005	28.0
107.08576	29.8
108.08925	0.9
109.06503	7.0
109.10138	82.6
111.04362	0.8
111.08041	1.1
117.06986	0.9
119.08562	24.1
121.10119	30.9
123.08055	6.2
123.11666	5.0
125.05955	0.8
125.09589	1.6
127.03913	1.1
131.08510	1.9
133.10104	11.6
135.11665	82.5
137.09590	23.8
137.13272	0.9
139.07527	1.1
139.11169	1.1
145.04898	1.5
145.10100	3.1
145.40617	0.7
147.08008	1.7
147.11653	7.5
149.09547	1.7
151.07516	1.2
151.11162	4.0
152.11479	1.6
153.09076	1.9
153.12721	21.1
155.10622	6.6
156.09273	1.2
159.11696	3.1
161.13220	70.5
161.72299	0.9
163.11154	0.8
163.14844	1.1
165.09042	10.2
165.12697	1.8
167.07050	0.8
171.11493	1.4
177.12616	0.8
179.10666	1.2
179.14265	21.3
181.08600	17.3
181.12190	34.2
183.10170	5.3
189.12726	6.3
189.14281	0.8
191.20137	0.8
194.09515	0.7
197.11674	1.7
197.15295	2.9
206.33687	0.8
207.13776	18.0
225.11162	3.2
225.14828	25.0
232.24165	0.9
243.15860	100.0
257.32190	0.8
261.16791	0.9
392.23328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
55.05503	7.4
56.86672	1.2
57.03423	2.0
58.07478	1.2
59.04986	2.0
63.78920	1.1
67.05508	3.4
68.54040	1.3
69.03413	7.0
69.07054	7.0
71.04978	30.8
74.36615	1.2
79.05480	10.4
81.03381	3.4
81.07037	19.4
83.04970	8.5
83.08604	5.7
85.02896	16.8
85.06541	2.9
91.05457	13.4
93.07021	19.1
93.79536	1.5
95.04946	8.1
95.08585	15.1
97.02882	3.2
97.06510	5.3
99.04435	87.3
99.08089	1.7
101.06014	2.2
105.07014	44.6
107.04948	3.3
107.08584	37.7
109.06496	27.2
109.10147	7.3
111.04433	5.8
111.08070	6.4
113.09650	3.4
117.07001	2.0
119.08560	43.3
121.06516	3.4
121.10120	28.9
123.04460	2.4
123.08036	20.0
123.11713	11.0
125.09601	5.5
131.08580	6.9
133.06477	8.6
133.10107	55.6
135.11708	3.3
137.05992	7.4
137.09625	11.5
139.07457	1.4
139.11153	1.9
143.08636	6.1
145.06482	1.6
145.10159	6.4
147.08076	8.0
147.11649	13.7
149.09601	12.6
151.07523	3.2
151.11220	2.4
161.09572	21.4
163.11122	16.4
165.09125	7.9
165.12772	11.4
167.10638	22.9
171.11551	1.8
179.10638	18.4
179.14366	2.1
181.12263	7.6
183.10236	2.7
183.13765	32.7
189.09070	11.5
189.12767	9.0
207.10150	20.1
207.13696	12.6
225.11345	23.5
225.14810	100.0
243.15906	2.9
390.44812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01863	2.0
55.05503	10.3
57.07042	2.3
59.04981	3.4
64.75251	1.6
65.03931	1.9
67.05494	29.1
68.20686	1.3
69.07057	22.5
71.04976	9.2
71.21377	1.5
79.05481	28.7
80.06272	3.6
81.07041	59.5
82.04175	1.9
83.04952	2.1
83.08614	9.7
85.06541	9.5
91.05460	41.8
93.07027	100.0
95.04950	13.2
95.08581	37.8
97.06519	6.8
105.07021	63.5
107.08587	75.9
107.60357	1.8
109.06511	6.7
109.10151	90.6
111.08070	19.9
113.09646	3.7
114.36494	2.0
115.60765	1.6
117.07018	8.0
119.08562	61.9
121.10123	47.0
122.10839	2.4
123.08051	12.9
123.11684	8.7
125.09602	14.4
127.11185	26.8
130.07690	2.1
131.08556	14.4
131.78061	1.7
133.10118	28.8
135.11658	16.9
137.09558	3.6
139.11169	3.2
142.91794	1.6
145.10101	38.4
147.11685	11.7
149.13239	3.5
151.11124	2.4
159.11678	55.2
159.12959	3.2
161.13232	78.1
163.11127	2.2
173.13301	11.6
175.14783	7.8
177.16383	7.3
179.14334	8.5
180.92583	1.8
192.18745	3.2
193.15852	2.5
199.14859	1.7
201.14578	2.7
201.16383	43.4
208.18237	8.7
219.17427	57.3
237.18459	36.4
337.01273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.2
53.03931	0.5
54.81902	0.3
55.01851	1.0
55.05483	0.2
57.03414	1.3
57.07052	0.9
59.56433	0.2
61.88202	0.2
63.24198	0.2
65.03917	0.4
66.04702	0.2
67.05479	1.3
69.03402	0.3
69.07051	0.4
70.06554	1.3
74.74886	0.2
76.56615	0.2
78.04707	0.2
79.05469	8.3
81.07039	2.2
81.78476	0.2
83.04984	0.2
88.07598	1.3
90.04660	0.3
91.05457	6.4
92.06242	0.3
93.07012	2.8
95.04951	2.4
95.08597	0.9
97.06487	0.2
102.04670	0.2
102.09141	1.1
103.04762	0.3
103.05446	8.9
104.06207	0.9
105.07010	31.8
107.02238	0.2
107.04942	3.2
107.08561	1.4
108.05688	0.5
109.02846	1.4
109.06503	2.6
109.10147	0.4
115.05437	2.3
116.06207	0.2
117.07006	1.1
118.04137	17.1
119.04958	2.8
119.05759	0.3
119.06055	0.2
119.08559	1.1
120.05687	2.4
121.02831	0.3
121.06490	4.1
122.03625	0.3
122.07259	2.7
123.08013	1.1
124.05182	6.3
125.05984	0.3
129.06929	0.4
131.04909	2.0
131.08525	0.5
132.05670	1.5
133.06464	35.0
133.10083	0.9
134.07289	3.1
135.04387	2.5
135.08026	5.2
137.05954	8.2
137.09605	0.4
145.10007	0.3
146.03595	0.3
147.04387	1.1
147.07993	0.3
148.05145	1.4
149.02335	7.8
149.03426	0.5
149.05923	1.3
150.06735	14.1
151.07523	3.6
154.06168	0.8
161.05945	3.7
163.07513	1.1
165.09079	23.5
175.07425	0.8
177.05473	0.5
177.09055	0.3
178.06215	1.8
179.06923	1.5
193.04968	7.4
193.08566	100.0
194.09326	7.8
209.08081	0.4
256.26349	2.7
422.28897	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	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01880	1.3
55.05505	1.7
57.03433	16.2
58.72562	0.7
60.93611	0.7
61.02919	1.5
67.05491	1.9
69.03425	5.7
71.04975	4.7
75.04464	6.8
79.05466	1.9
81.03409	1.9
81.07056	1.6
83.04969	1.7
83.08610	1.0
85.02895	16.1
85.06538	1.8
87.04487	1.6
91.05465	5.3
92.63887	0.8
93.07046	4.5
95.04967	4.4
95.08605	4.6
97.02888	5.4
97.06553	1.5
98.26230	0.8
99.04440	14.1
103.05506	0.8
105.07030	18.0
107.08591	11.2
109.06495	6.2
109.10244	0.8
115.03919	1.5
117.07018	1.2
119.04941	1.4
119.08565	9.3
121.06524	6.1
121.10127	10.7
123.04415	100.0
123.08050	14.6
123.11710	4.0
125.05959	1.1
125.09601	1.6
127.03882	1.2
129.07033	1.7
131.08591	1.8
133.04970	1.3
133.06485	23.7
133.10130	1.5
135.08020	1.6
135.11784	1.3
137.05998	1.1
137.09641	1.3
141.49431	0.8
144.62721	0.8
145.05032	1.1
147.08073	6.0
147.11678	1.4
148.46910	0.8
149.05978	3.6
149.09625	8.4
151.07529	42.6
157.06432	1.1
161.06004	5.4
161.09602	1.1
161.13260	3.9
163.07535	1.2
163.11209	1.6
165.12752	3.3
167.07140	1.3
167.10696	4.0
169.08623	5.0
179.06996	6.5
179.10632	1.8
179.14279	0.9
183.06525	1.4
183.13805	1.0
189.09132	4.0
189.12770	4.7
195.13776	1.0
197.08125	5.0
207.10146	7.6
207.13762	11.8
225.11281	7.1
225.14832	20.9
243.12239	49.2
395.28836	0.8
422.17926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39983	0.4
53.03940	1.1
55.01864	0.9
55.05510	4.4
57.03428	0.8
58.19493	0.4
61.02914	0.7
63.69036	0.4
65.33149	0.4
67.05505	5.4
69.03421	6.2
69.07045	1.2
70.54212	0.4
71.04980	2.8
71.80902	0.5
79.05474	12.0
79.19342	0.6
81.03382	1.0
81.07042	7.5
83.04967	13.7
83.82837	0.6
85.02888	6.9
91.05466	6.1
92.09117	0.7
92.63741	0.6
93.07023	3.9
95.04949	6.9
95.08600	4.5
97.02859	4.4
97.06507	5.4
99.04443	5.5
105.07015	13.9
107.04939	18.3
107.05631	1.0
107.08585	3.8
109.06506	7.7
109.10145	31.7
111.04427	14.2
113.05950	0.8
117.06989	2.3
119.08566	13.6
121.06474	3.4
121.10110	1.1
123.04391	2.5
123.08055	4.4
125.05958	4.7
127.03879	0.9
128.06215	4.6
129.06993	4.0
133.06499	2.1
133.10115	19.4
135.08026	3.6
135.11624	0.8
137.06015	0.6
137.09604	44.2
143.07002	1.8
143.08540	15.3
145.10107	3.4
146.07266	4.4
147.08031	23.3
148.08759	0.6
151.07484	3.6
151.11139	0.7
161.09596	100.0
162.10139	0.6
163.11214	4.0
165.09085	50.3
171.08047	2.4
174.06732	2.2
179.10649	14.9
181.12305	1.0
189.09097	13.7
197.11725	2.5
207.10144	45.8
225.11191	70.9
234.79146	0.5
243.12167	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86251	0.5
52.59103	0.6
55.05499	3.3
57.03404	1.0
59.64798	0.5
61.02911	0.9
62.11678	0.5
64.97001	0.7
65.40410	0.6
65.56393	0.7
67.05503	5.9
67.78684	0.7
69.03416	6.3
69.07074	0.9
71.04980	1.6
71.36008	0.7
73.02906	0.7
76.55621	0.6
79.05475	17.5
81.03410	1.5
81.07043	10.4
83.04956	4.7
85.02895	10.8
91.05460	6.0
93.07022	3.2
95.04961	7.8
95.08583	4.3
97.02877	3.8
97.06516	5.8
99.04424	7.9
99.10835	0.6
105.07014	9.9
107.04942	24.8
107.08575	3.5
109.02869	1.4
109.06525	3.7
109.10145	36.6
109.19519	0.6
111.04440	2.9
113.08558	0.7
117.06994	2.9
119.08566	14.4
121.06469	3.4
123.04427	1.3
123.08076	0.8
125.05972	3.0
127.03929	1.4
128.06201	3.6
129.06943	4.7
130.18747	0.7
133.10109	14.4
137.05939	0.9
137.09595	56.3
140.57547	0.8
143.07104	0.6
143.07314	0.9
143.08533	15.6
145.10121	1.3
146.07285	3.2
147.08025	21.5
159.08029	1.0
161.09595	100.0
162.09933	0.8
163.07512	1.3
163.11176	1.1
165.09084	60.1
171.08051	0.8
174.06747	1.0
179.10657	9.4
188.45847	0.7
189.09045	9.3
189.10355	0.6
197.11723	1.0
207.10143	43.9
225.11180	30.2
243.12234	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	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
54.02021	3.4
55.01847	6.1
55.05503	7.6
55.92787	4.1
57.07059	23.0
57.68481	4.1
58.86990	3.8
67.05486	26.5
68.68331	3.8
69.07047	21.5
71.08612	9.7
76.56327	3.7
81.07037	29.4
83.04963	26.0
83.08585	8.6
91.05441	8.5
93.07021	41.1
95.04988	4.0
95.08594	37.9
105.07046	5.1
107.08566	6.7
109.06516	17.7
109.10188	6.2
111.08041	8.4
119.08587	8.2
123.08026	5.2
131.08556	6.0
133.10110	6.1
137.05908	34.4
139.07524	6.1
151.11142	8.1
153.09116	8.8
155.07028	20.2
165.09058	7.6
179.10651	8.0
207.13918	5.0
403.35675	66.5
421.36755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01850	1.5
55.05501	2.6
57.03418	2.4
60.11788	1.2
61.02915	2.5
67.05508	10.8
69.03423	13.2
69.07059	2.2
71.04972	7.9
73.28526	1.3
73.69881	1.4
75.02155	1.4
79.05469	22.1
81.03418	2.3
81.07041	18.2
82.28694	1.4
82.64729	1.5
83.04968	6.6
85.02894	24.4
91.05468	8.5
93.07031	6.5
95.04948	10.2
95.08588	7.7
97.02882	6.5
97.06521	9.2
99.04437	14.4
101.06010	2.3
105.06995	18.9
107.04949	12.6
107.08598	6.5
109.06512	11.0
109.10147	51.0
109.10857	2.5
111.04454	8.1
117.07070	1.8
119.08569	20.6
121.06502	2.8
121.10172	3.2
123.04482	2.5
123.08052	7.0
125.05964	6.5
127.03851	2.0
128.06216	6.0
129.06992	5.4
131.08565	1.8
133.06422	1.7
133.10104	21.2
135.08040	2.8
137.06004	2.1
137.09601	72.2
143.08553	18.1
145.10130	2.7
146.07239	3.5
147.08034	21.7
151.07642	2.1
161.09589	100.0
161.13196	1.8
163.11131	5.9
165.09074	72.1
171.07999	2.3
174.06738	2.1
179.10600	15.9
189.09081	19.4
206.61516	1.6
207.10144	53.7
207.13828	1.7
225.11224	27.1
225.14865	7.0
243.12259	2.4
424.86658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01860	1.4
55.05500	3.5
60.03443	0.7
67.05493	6.3
69.03420	5.4
69.07052	1.3
71.04976	3.7
79.05473	19.8
81.03388	1.3
81.07041	16.3
83.04955	3.4
85.02892	6.5
91.05455	6.2
93.07018	4.1
95.04951	5.9
95.08589	4.2
95.82827	0.6
97.02859	2.6
97.06519	8.5
99.04443	12.4
105.07014	12.8
107.04214	0.8
107.04935	18.8
107.08575	2.5
109.02882	0.8
109.06512	8.1
109.09389	1.4
109.10142	38.8
109.46234	0.7
111.04429	4.2
111.17162	0.6
113.05966	0.7
117.07016	2.7
119.08547	12.9
121.06474	4.2
121.10152	1.5
123.04446	0.9
123.08034	3.7
125.05984	4.1
128.06184	5.0
129.07002	5.2
131.08472	0.7
133.06450	2.8
133.10104	15.4
135.08080	0.8
137.05997	1.0
137.09598	63.3
143.08534	15.4
145.06474	0.7
145.10091	2.8
146.07266	2.7
147.08035	19.7
150.90239	0.7
159.08060	0.7
161.09589	100.0
163.07535	0.9
163.11159	4.3
165.09082	60.2
171.08017	2.5
174.06696	1.1
179.10645	8.9
181.12247	0.7
189.09076	15.7
197.11620	0.8
203.05264	0.8
207.10143	50.4
225.08995	0.9
225.11180	24.7
225.14696	1.2
243.12212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	43.2
57.03428	5.6
57.07074	38.4
67.05503	19.4
69.07053	49.9
71.08619	20.1
72.58413	2.2
74.43226	2.5
79.05490	12.9
81.07043	34.8
83.04961	58.5
83.08610	23.9
85.10159	5.0
91.05468	12.4
92.09327	7.8
93.07029	23.0
95.08582	32.3
97.10152	15.3
105.07025	18.0
107.04892	2.9
107.08605	18.4
109.06511	16.0
109.10149	20.6
111.08091	4.6
111.11701	6.0
119.08574	25.8
121.10150	6.5
123.08058	18.2
123.11681	5.8
131.08575	3.6
133.10147	5.8
135.08064	11.3
135.11739	4.2
137.05969	42.8
137.09560	10.0
139.07524	6.3
145.10133	10.5
147.11629	5.7
151.07581	11.3
151.11130	4.8
155.07089	4.2
159.11687	5.6
161.09599	13.8
165.09074	3.2
165.12776	4.5
175.11130	10.4
179.14258	3.4
189.12718	6.3
195.78412	2.8
218.69150	2.6
220.65527	2.9
252.33788	3.2
375.36276	21.2
385.34457	5.4
403.35779	27.9
421.36615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05507	45.4
57.07071	35.5
66.59840	4.2
67.05478	10.0
69.07055	59.0
71.08624	10.4
78.01421	4.1
79.05480	5.5
81.07059	40.3
83.04960	30.2
83.08611	23.9
91.05460	7.5
93.07014	9.9
95.08592	32.3
97.10146	11.0
105.07037	8.6
107.08582	30.2
109.06507	10.2
109.10159	19.2
111.11689	6.6
119.08570	19.1
121.10117	9.5
123.08047	23.7
123.11676	4.3
125.05896	5.5
133.10085	6.3
135.11679	5.5
137.05960	20.3
139.07509	28.3
143.08479	4.5
145.10132	7.1
149.09590	6.0
151.07510	7.4
153.09145	4.5
155.08588	4.6
159.11700	5.7
161.09590	7.2
161.13223	6.1
165.09129	5.0
179.10596	4.9
181.12265	6.7
189.12770	8.3
332.33676	4.8
375.36084	18.4
385.34354	5.7
403.35709	54.0
421.36783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03930	0.8
54.82226	0.6
55.01860	4.2
55.05264	0.9
55.05505	15.0
55.16171	0.6
55.35532	0.5
55.70912	0.5
57.03428	1.3
57.07074	9.0
63.44135	0.5
67.05492	18.8
68.09279	0.6
69.03403	0.8
69.07056	23.3
69.07407	0.8
71.04953	0.7
71.08608	5.4
79.05470	4.8
81.07036	9.9
83.04964	1.2
83.08601	13.7
85.10158	1.5
91.05457	11.1
93.07023	69.8
95.04958	5.6
95.08585	38.2
95.09203	1.2
97.06493	1.2
97.10164	5.4
97.20762	0.6
105.07018	6.7
106.07342	0.8
107.08571	12.1
109.06521	2.9
109.10126	4.0
111.08062	35.0
111.11713	1.4
117.45465	0.6
119.08535	4.1
120.08858	0.8
121.06473	4.9
121.10098	5.3
123.08073	2.8
123.11690	1.4
125.09588	1.5
127.07522	5.1
131.08563	3.4
133.10141	4.2
135.11707	2.6
137.09589	1.3
139.07526	24.6
145.10136	4.0
147.11682	1.1
149.09584	1.2
151.11139	1.5
153.09079	18.3
157.08609	4.1
157.10017	1.0
159.11674	3.2
161.13249	1.3
163.11134	0.8
165.09044	0.9
165.12657	0.8
167.10663	11.4
173.13283	1.0
179.10680	0.9
181.12206	7.9
193.12274	1.3
195.13800	7.5
197.13431	0.8
201.16402	0.9
207.13806	1.4
207.72992	0.6
209.15385	4.2
219.17503	1.4
223.16876	1.6
235.16922	1.0
236.17340	0.8
237.18452	1.4
251.19942	1.0
265.21643	1.3
277.21622	0.8
279.22977	0.9
291.23013	0.8
403.35736	15.6
421.36670	100.0
422.37064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81704	3.0
55.05507	56.4
57.07064	37.7
59.45205	2.9
63.35237	2.9
67.05485	16.3
69.07053	61.8
69.91123	3.1
69.92262	2.9
71.08595	21.1
72.88589	2.9
79.05465	5.6
81.07052	39.6
83.04957	64.5
83.08607	28.5
85.10169	13.7
91.05451	15.6
93.07016	22.7
95.04956	4.0
95.08578	35.8
97.10136	23.0
105.06989	25.8
105.22501	3.1
107.08549	26.8
109.06510	15.4
109.10137	26.7
111.11693	6.7
111.27525	3.1
114.01446	4.0
117.06976	4.1
119.08533	21.7
121.10104	13.1
123.08048	17.2
123.11630	6.0
126.56136	3.5
129.60431	3.2
131.08516	4.3
133.10097	17.9
135.08037	12.3
135.11633	7.4
137.05992	30.3
137.09564	4.6
137.13203	3.9
139.07521	4.4
145.10118	13.3
147.07942	4.8
147.11644	13.7
147.39731	3.1
151.07521	6.6
155.07062	5.1
159.11583	7.0
161.09595	28.7
161.13210	6.6
165.12685	6.4
175.11153	16.4
175.14801	3.8
179.10733	3.7
189.12653	7.8
201.16432	6.1
215.17915	3.6
223.53656	3.8
281.30838	3.2
295.82397	4.0
327.28821	3.3
375.36151	28.7
385.34399	5.2
403.35660	43.6
421.36722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
53.82524	2.4
55.05508	61.2
57.03457	2.7
57.07069	41.3
67.05505	23.6
69.06703	4.8
69.07054	61.3
71.08611	26.9
71.41761	2.7
75.89028	2.5
79.05463	16.8
81.07031	41.1
83.04964	68.7
83.08624	33.2
84.23927	3.0
85.10166	6.1
91.05456	7.1
93.07030	25.8
95.04979	4.2
95.08588	41.7
97.10162	19.7
100.64967	2.8
105.07025	19.1
107.08538	20.5
109.06496	16.7
109.10159	23.3
111.08041	11.3
111.11745	3.1
119.08575	19.6
121.06506	6.6
121.10131	7.0
123.08060	11.9
123.11709	7.2
125.06010	3.4
133.10126	16.1
135.08058	14.4
135.11681	5.1
137.05948	36.6
137.09647	5.0
139.07507	12.9
143.08485	4.9
145.10066	11.1
147.11673	15.9
149.09692	3.9
151.07584	4.7
151.11166	7.2
155.07083	3.7
157.10080	4.0
159.11635	5.7
161.09604	27.6
161.13261	12.3
165.09111	3.2
165.12666	5.9
175.11168	16.1
175.14717	4.3
179.10628	3.9
189.12772	16.6
189.16368	3.8
193.12260	4.6
351.90060	3.5
360.94485	3.5
375.36200	39.3
385.34625	13.3
403.35693	69.6
421.36685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
50.90855	2.8
53.00297	3.5
55.05307	2.7
55.05509	45.0
57.03415	3.8
57.07074	34.6
60.20203	3.1
67.05495	16.1
69.07054	40.1
71.08614	16.6
72.64856	3.2
79.05476	7.5
79.83823	2.8
81.07041	31.3
83.04974	45.8
83.08607	26.3
83.80002	3.3
85.10139	4.7
91.05461	7.0
92.08617	5.7
93.07013	16.8
95.04944	3.7
95.08582	32.7
97.10153	12.6
105.07022	15.3
107.08585	14.8
109.06497	17.2
109.10133	16.5
111.08048	5.0
111.11702	4.2
116.71946	3.0
119.08572	20.8
121.06514	4.4
121.10106	12.0
123.08006	6.6
123.11695	7.1
133.10117	5.6
135.08012	5.5
137.05931	25.9
139.07503	7.3
143.00740	3.5
145.10143	6.3
147.11691	13.6
149.13129	3.6
151.07553	4.1
151.11153	6.3
155.07076	5.9
157.10071	4.0
160.56801	3.4
161.09540	24.6
161.13304	12.8
165.12712	3.4
173.13164	3.5
175.11116	6.8
179.10631	3.4
189.12767	6.6
199.14693	3.3
215.17923	3.7
270.31573	3.2
300.45953	3.2
375.36053	25.8
385.34497	7.1
403.35596	50.7
421.36737	100.0
448.35794	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	421.1339
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03925	0.2
55.01863	0.9
57.03435	1.6
61.02907	1.2
68.55714	0.2
69.03425	1.6
69.18752	0.2
71.01358	0.2
73.02898	1.1
76.61063	0.2
77.69666	0.2
81.03410	0.2
81.06981	0.2
84.08086	0.3
85.02424	0.2
85.02896	4.0
87.04483	0.2
97.02881	1.6
102.39458	0.2
105.06998	1.1
108.05287	0.2
109.02846	0.4
109.06483	0.8
115.03931	0.3
127.03895	100.0
129.10214	0.2
132.95769	0.2
133.06477	1.1
139.03847	0.3
145.04926	0.3
145.77637	0.2
151.07527	0.5
161.06024	0.4
162.06396	0.3
289.09225	2.6
353.99344	0.2
421.16705	4.1
449.33005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.6
57.07073	10.1
57.17868	6.9
67.05487	15.6
69.07043	56.4
79.05464	11.5
81.07049	100.0
83.04948	7.2
83.08619	9.9
91.05458	39.4
93.07026	68.6
95.08583	81.5
96.09927	7.3
105.07009	58.1
107.08566	72.6
109.06487	9.6
109.10133	50.8
109.81819	8.0
115.74231	7.0
117.06992	12.2
119.08570	53.4
121.10130	35.4
123.11732	13.7
123.93047	7.5
131.08545	32.3
132.28682	7.6
133.10132	57.4
135.11632	13.0
143.08548	15.5
143.42365	7.8
145.10072	74.9
147.11668	43.9
149.13278	12.4
155.08443	8.6
157.10109	36.2
159.11687	46.4
161.13190	10.8
169.10060	12.2
173.13222	17.8
185.13304	13.4
187.14839	13.5
191.17865	19.6
195.11652	16.2
199.14897	14.1
201.16391	43.2
203.18097	8.8
211.14754	14.3
215.18045	14.7
251.17952	31.9
253.19542	13.5
344.06674	9.4
363.30548	15.8
403.33313	92.2
421.34827	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05500	4.2
57.03428	1.2
57.07070	2.7
61.02913	0.6
65.91125	0.3
67.05492	7.3
69.03425	1.9
69.07053	5.1
71.04980	0.6
71.08582	0.3
79.05484	5.0
81.03412	0.3
81.07040	30.0
82.07369	0.4
83.08609	3.1
85.02890	9.2
85.56195	0.3
91.05445	1.8
93.07023	17.2
95.04946	1.4
95.08584	16.6
96.30963	0.3
97.02896	1.1
97.06506	0.5
97.10149	3.0
105.07019	1.6
107.08580	23.1
109.02882	0.5
109.06506	0.5
109.09389	0.7
109.10141	20.4
110.10564	0.3
111.08062	0.5
113.09628	3.0
119.08560	1.1
121.06478	0.3
121.10113	13.4
123.11684	100.0
124.11996	0.6
125.05932	2.2
127.03903	1.9
127.11173	0.3
135.08052	0.5
135.11671	45.4
137.13258	1.2
139.07555	0.5
145.04929	3.3
145.10107	0.5
147.11722	0.4
149.13240	26.0
153.09137	0.7
155.10667	0.4
159.11716	0.4
161.13228	0.6
163.06035	2.6
163.14774	9.5
167.10593	1.2
177.16347	12.8
179.17989	0.4
180.08574	1.4
187.14824	0.5
198.09633	1.7
205.15817	3.7
205.19489	60.3
206.19841	0.7
223.16893	12.8
223.20525	1.2
240.23100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01849	1.2
55.05502	3.7
57.07066	1.6
58.88292	0.8
59.04980	0.9
59.72989	0.8
62.21957	0.7
67.05490	5.3
69.03400	1.4
69.07059	6.7
71.04975	5.7
74.97843	0.9
79.05473	11.6
81.07041	27.8
83.04937	6.6
83.08598	2.0
85.06514	1.8
91.05473	8.9
93.07022	20.1
95.04955	4.7
95.08576	15.3
97.06515	5.1
100.54437	0.8
105.04496	0.8
105.07003	17.9
107.08577	35.4
109.06500	40.8
109.10143	8.2
111.08102	3.9
117.06999	1.9
119.08556	24.6
121.06488	4.7
121.10115	14.9
123.08028	10.1
123.11681	1.6
125.09612	6.5
131.08536	5.9
133.10097	14.6
135.08005	1.6
135.11688	5.2
137.09576	1.5
143.08542	5.0
143.84692	1.1
144.09317	1.4
145.10086	8.5
147.11676	8.6
149.09645	1.3
149.13214	5.0
151.11095	1.2
157.10100	6.5
159.11667	31.6
161.09573	5.3
161.13272	1.6
161.52850	0.9
173.13232	6.2
175.11142	4.9
175.14799	11.5
177.12712	16.7
179.10623	1.9
183.04112	0.9
189.12700	1.4
189.16367	4.8
193.15900	2.2
199.14783	9.4
201.16405	1.0
204.53564	0.9
217.15846	13.4
235.16878	100.0
390.15613	1.0
393.37198	1.2
393.42212	1.0
399.94012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1129
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
54.28380	0.8
54.81482	0.8
57.03428	26.0
61.02909	6.1
67.05492	1.2
68.99771	1.9
69.03412	1.5
73.02901	43.8
79.05471	1.7
81.07015	1.0
85.02898	1.6
91.05498	1.6
92.09299	1.0
95.04947	1.0
95.08573	1.7
97.01414	0.9
97.02882	1.1
105.06984	1.2
106.14830	0.9
107.04940	64.0
107.08582	1.6
111.04417	4.6
115.03905	1.1
119.04901	1.8
119.08571	1.4
120.76675	1.1
121.02840	8.2
123.04367	1.2
127.03837	1.2
128.90625	1.0
131.04839	1.3
131.08578	1.0
135.04358	4.6
137.09634	1.2
139.03909	2.1
149.02318	81.6
153.01807	100.0
161.09567	1.3
163.03886	1.5
167.03323	11.4
169.05197	1.1
169.06488	4.8
187.03879	0.9
195.02829	8.2
197.05952	5.0
215.06995	79.7
225.05449	1.1
242.05679	3.7
243.06487	48.5
271.05981	21.4
289.07010	68.5
290.48145	0.9
312.65817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05503	16.5
57.03436	1.8
57.07084	5.0
58.24635	1.1
61.02905	2.2
67.05502	22.2
69.03411	8.8
69.07059	15.8
69.78848	1.3
71.04975	6.8
79.05482	17.7
81.07043	83.3
81.64143	1.5
82.07402	1.8
83.04970	3.6
83.08613	8.7
85.02901	14.6
85.06526	3.7
87.04444	1.9
87.85126	1.4
91.05471	13.5
93.07030	58.1
94.07355	3.6
95.04946	12.6
95.08590	53.6
96.09020	1.4
97.02863	2.1
97.06524	8.4
97.10170	2.9
98.43569	1.7
105.03353	1.9
105.07027	13.2
107.04898	1.7
107.08588	73.2
109.06515	5.9
109.10149	34.7
111.08092	3.2
113.09638	22.0
117.06994	2.8
119.08588	11.3
120.08910	2.5
121.06487	2.8
121.10126	53.8
123.08053	2.1
123.11689	38.4
125.06008	10.1
125.09629	1.8
131.04887	3.3
131.08568	7.7
133.10117	7.3
135.08064	8.5
135.11656	19.6
137.05974	1.9
137.09642	1.8
137.13246	2.5
139.07529	6.2
143.08540	2.0
145.10126	8.3
147.11707	3.5
149.09615	7.4
149.13261	6.9
151.11137	2.3
153.09145	8.0
157.10153	1.7
159.08067	1.7
159.11734	2.6
161.13260	3.1
163.11119	1.8
163.14795	45.6
167.10670	2.9
177.16354	58.2
179.17911	2.2
181.15833	2.1
187.14864	3.6
205.15866	29.4
220.32721	1.6
223.16907	100.0
241.18059	6.0
420.24646	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.5
56.23260	0.2
57.03419	0.3
57.07059	1.8
60.51817	0.2
61.02916	0.4
67.05487	5.0
69.03421	1.6
69.07050	5.2
71.04995	0.5
71.08592	0.3
72.44762	0.2
73.44067	0.3
74.18517	0.3
77.91353	0.3
79.05480	4.3
81.03388	0.5
81.07037	19.4
83.08601	2.4
85.02895	14.0
86.69666	0.3
88.00117	0.3
91.03860	0.3
91.05431	0.5
93.07025	22.3
95.08586	14.8
97.02875	2.4
97.10138	3.6
105.07077	0.5
107.08577	19.2
109.02853	1.2
109.10143	21.1
111.11703	0.4
121.10123	10.1
123.11686	79.8
127.03899	3.2
135.10156	0.4
135.11670	38.4
145.04944	5.3
149.13237	100.0
150.13602	1.1
163.05983	6.5
163.14769	1.6
205.19487	80.0
206.19746	1.2
209.06831	0.3
223.20557	1.3
224.08597	0.3
302.12112	0.3
348.77075	0.3
403.50061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.81052	1.1
55.01863	1.7
55.05501	2.6
57.03429	25.3
57.07066	1.2
57.41724	1.0
59.04993	4.5
61.02910	4.3
67.05484	4.2
69.03417	63.0
69.07047	6.4
71.01331	1.3
71.04967	2.5
73.02898	7.1
75.04469	2.5
79.05486	4.5
81.03405	1.6
81.07043	14.6
83.04986	1.4
85.02892	52.4
85.06522	1.3
87.04446	32.9
91.05461	100.0
93.07007	9.0
95.04975	1.5
95.08586	7.8
97.02259	2.4
97.02875	54.4
99.04443	2.1
105.03362	1.2
105.07009	16.2
107.04945	6.9
107.08581	28.6
109.02857	1.7
109.06519	4.3
109.10152	16.5
115.03908	41.1
117.05507	1.1
117.07033	1.7
119.08554	10.6
121.06538	1.2
121.10118	8.2
123.04381	1.3
123.08084	5.4
123.11684	44.8
125.09620	6.2
127.03910	7.7
131.08566	2.5
133.04942	31.6
133.06468	1.7
133.10121	12.6
135.08031	7.6
135.11696	15.9
137.09613	2.6
145.04976	5.0
145.10081	1.3
149.05945	1.1
149.09627	2.0
149.13257	6.3
151.11165	73.9
159.11676	18.3
161.09595	2.3
161.13220	1.9
163.06046	1.4
163.11160	1.4
169.12248	4.5
169.60716	1.1
177.12724	17.0
179.10660	10.3
195.13802	5.3
197.11714	41.4
197.15405	1.5
205.12181	8.3
223.09666	5.2
223.13261	29.9
234.77722	1.1
241.07074	1.4
241.14305	16.0
253.10814	2.3
259.08200	2.4
277.09271	1.2
295.10223	4.1
349.84811	1.0
375.51059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45010	0.8
55.01858	1.4
55.05492	4.1
57.03424	4.7
57.07069	2.3
61.02912	1.6
67.05489	4.8
69.03413	6.9
69.07057	10.6
71.04987	4.4
73.02898	2.0
73.70688	1.0
79.05477	4.7
81.07045	16.3
85.02883	15.2
87.04475	1.2
91.05464	10.8
93.07027	21.1
95.04967	1.7
95.08606	5.0
97.02883	5.9
97.06521	1.1
99.04460	1.3
105.07019	37.8
107.08582	77.2
109.06522	4.1
109.10146	28.6
117.07014	4.5
119.08568	27.6
121.06512	4.3
121.10124	13.4
123.08112	1.5
123.11687	54.8
127.03874	1.9
127.07516	1.5
127.11202	1.8
129.06964	1.1
131.08597	8.8
133.04924	1.4
133.10127	15.5
135.08099	1.6
135.11681	39.7
137.09598	1.7
139.07581	1.5
144.09335	4.9
145.05020	2.3
145.06419	1.5
149.05954	5.3
149.13243	36.1
151.11171	100.0
153.09096	1.2
159.11676	50.4
161.13242	5.7
163.07539	1.7
165.09154	1.1
167.87163	1.1
169.12210	5.8
177.12723	74.1
179.10638	16.3
195.13712	7.5
197.11705	58.5
197.13533	1.2
205.12238	11.0
223.13251	16.4
241.14320	14.1
253.88344	1.0
257.77979	1.0
315.42960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.4
51.16400	0.4
53.03932	2.5
55.01857	1.3
55.05495	1.1
56.96554	0.4
57.07052	0.6
57.17950	0.4
59.04992	1.1
61.02911	1.0
65.83453	0.5
67.05499	4.1
69.03072	1.0
69.03414	20.9
69.07057	1.3
69.77416	0.5
71.04963	1.2
79.05475	2.4
81.03397	1.0
81.07026	2.5
82.11293	0.5
83.04961	8.2
85.02882	6.8
85.06525	3.2
91.05460	14.5
93.07022	67.8
95.04952	8.0
95.08580	2.8
97.02855	2.3
97.06516	3.3
99.04432	1.2
103.05434	2.9
105.04492	1.1
105.07011	19.0
107.08562	5.5
109.02901	0.6
109.06509	3.8
109.10120	3.6
111.08047	1.4
115.05341	0.7
117.06998	5.2
119.08558	11.5
121.06483	100.0
121.10127	3.7
123.04416	0.7
123.08030	0.9
127.07500	8.2
129.06976	2.3
130.07756	0.7
131.08565	2.8
133.06528	0.8
133.10092	1.1
135.08055	3.4
135.11702	1.1
137.05989	0.7
137.09596	5.4
139.07506	3.2
143.08569	2.7
144.09323	1.1
145.06485	0.7
145.10097	10.8
147.08023	25.5
147.09186	1.1
149.09622	4.7
153.09109	0.8
155.10640	5.2
157.10124	0.6
159.11661	9.7
161.09578	0.9
163.03882	0.8
163.11131	6.5
163.44374	0.5
165.09135	4.7
167.07024	2.1
175.11150	2.6
177.05460	1.0
177.12691	3.2
179.10680	2.6
187.11171	4.1
205.12199	37.7
223.13240	25.4
241.14330	5.3
420.12482	1.2
436.73004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81748	0.6
55.01858	4.4
57.03423	1.4
57.67931	0.7
61.02897	1.1
67.05482	0.9
69.03424	1.5
73.02897	1.0
79.05467	5.1
83.01343	0.8
85.02879	5.9
91.05457	5.6
95.01330	0.8
95.04949	5.9
95.53247	0.7
97.02866	1.8
103.05446	6.4
105.07014	56.6
105.52165	0.7
107.04929	2.9
109.02847	0.9
114.96207	0.7
115.05443	11.4
117.07009	3.5
118.04163	3.5
119.04919	1.6
123.04411	8.8
125.02354	0.8
127.03886	22.7
129.06961	0.8
131.04884	4.7
131.08542	1.1
131.93579	0.8
132.05713	1.3
133.06465	65.4
133.26187	0.7
137.05981	1.5
139.03857	0.9
140.04639	3.1
141.01750	0.9
141.06824	0.8
143.04955	1.5
143.06024	5.0
144.05687	0.8
145.06509	7.1
147.04379	1.8
149.05959	1.0
155.07019	1.7
155.12880	0.7
157.06479	1.8
159.08041	1.1
159.11626	1.5
160.05151	1.2
161.05949	100.0
167.06990	24.9
167.08389	0.8
169.04939	0.8
173.05971	4.8
175.03810	1.6
175.06093	1.6
175.07538	3.8
177.05519	1.2
178.06317	1.0
179.07021	1.4
181.04865	1.5
183.06502	3.6
185.05959	0.9
186.03081	1.0
187.07529	1.7
189.05418	1.4
190.06216	1.9
191.07037	3.0
192.07854	1.0
193.08569	43.3
199.07504	0.9
201.05447	4.4
203.07089	3.3
205.08646	7.7
207.06450	9.3
213.05362	1.0
217.04796	1.0
219.06526	4.5
220.07297	1.8
221.08084	1.4
223.09552	1.2
229.04988	3.5
231.06577	4.0
233.04469	7.3
233.07979	6.9
234.08833	1.2
235.09579	1.1
245.07976	1.8
247.05814	2.6
249.07628	3.6
251.09061	15.0
259.05933	1.5
260.06821	0.8
261.07535	9.5
263.09085	3.1
273.07736	0.8
274.04831	1.1
275.09152	4.0
277.07205	1.8
279.08502	3.8
289.06808	5.9
293.10071	1.5
305.10199	3.3
307.08072	11.7
323.11130	1.2
325.08868	1.2
367.10092	4.6
385.11182	16.3
419.19263	2.7
420.14661	1.2
420.19382	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18873	0.5
52.57939	0.4
55.01867	7.6
55.30055	0.5
57.03432	14.5
59.04992	2.0
61.02921	5.5
65.03941	0.5
69.03070	0.7
69.03421	13.3
69.55642	0.6
71.01336	2.8
72.04493	0.7
73.02899	13.1
81.03409	1.1
85.02891	30.4
87.04453	1.3
91.05463	100.0
92.05811	1.0
97.02872	28.1
103.03945	0.9
105.07028	3.3
109.02864	2.1
115.03917	7.5
117.06982	0.9
127.03927	5.1
129.06999	2.6
131.08560	0.7
132.06573	0.7
133.04947	7.6
133.06485	2.5
145.04947	5.6
145.06487	0.9
149.11314	0.6
150.07593	1.1
157.06422	0.9
161.04408	1.1
161.25021	0.6
163.06035	2.3
169.06348	0.6
197.66051	0.5
217.08679	1.0
249.93695	0.5
253.10718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21125	0.4
53.03950	0.5
55.01865	1.1
57.03425	1.2
59.04992	0.8
61.02897	1.0
67.05466	0.9
69.03410	2.8
69.07030	0.5
71.04977	0.9
75.04474	0.5
77.45570	0.5
78.04733	0.6
79.05477	1.0
81.07034	1.2
83.04967	0.7
85.02894	8.0
90.95734	0.5
91.05442	2.0
93.07012	3.0
95.04906	0.8
95.08587	2.7
97.02854	2.3
97.06475	0.7
98.58089	0.5
105.07017	26.4
107.08568	3.3
109.02806	0.6
109.06483	0.7
109.10130	1.2
111.04440	0.7
117.06980	0.7
119.08547	3.1
121.06483	0.7
121.10112	2.0
122.03615	0.8
123.11713	1.8
123.93252	0.5
124.39465	0.6
127.03914	0.8
131.08539	2.0
133.06473	47.8
133.10127	2.1
135.08087	0.5
135.11746	0.9
137.05962	100.0
144.09364	0.6
145.10080	1.1
147.08054	0.8
147.11655	2.0
149.09581	0.8
159.11674	4.5
163.07512	0.6
165.09081	23.9
177.09113	1.9
177.12743	3.5
179.10750	0.7
179.12326	0.5
183.10129	20.1
205.12292	2.8
223.13264	3.8
241.14288	10.2
332.63052	0.5
416.80338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34572	1.3
55.05511	3.4
57.07058	2.6
67.05496	3.6
69.07047	3.5
81.07035	6.6
91.05460	6.1
93.07010	7.5
95.08584	8.9
99.42338	1.4
105.06998	16.8
107.08536	11.1
109.10129	3.8
110.96311	1.4
117.06954	10.5
119.08553	8.9
121.10156	2.5
123.11691	2.9
129.06920	2.5
130.07742	9.6
131.08519	8.2
133.10083	2.1
143.08545	7.6
145.10100	100.0
145.11232	3.6
147.11676	2.9
157.10091	8.8
159.11676	26.8
171.11667	2.3
171.95518	1.6
173.13290	5.5
201.16357	24.3
213.16338	7.4
215.17902	3.3
217.15854	1.9
391.33572	1.9
419.32904	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36222	0.8
51.21445	0.8
55.01856	1.1
69.07059	1.1
80.52254	0.7
82.10497	0.7
99.04423	3.7
100.00797	0.8
101.42175	0.8
111.04424	3.8
125.05972	13.5
141.05450	4.3
153.05444	100.0
254.77263	1.0
283.48117	0.9
294.01495	0.9
419.35104	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	419.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31467	2.5
53.03944	3.7
55.01847	3.2
55.05510	25.0
55.12820	2.6
56.96565	4.1
57.07085	11.1
59.04987	4.1
66.54711	2.7
67.05499	39.0
69.03403	17.3
69.07050	22.6
71.04981	6.7
78.65054	3.2
79.05471	57.7
81.03366	2.7
81.07042	86.8
83.04958	16.7
83.08620	3.4
85.06526	3.2
86.23721	3.0
91.05468	48.5
93.03403	3.0
93.07024	100.0
95.04937	33.4
95.08575	42.8
97.06502	13.4
99.04411	7.7
103.05450	25.2
104.05799	7.7
105.07018	79.3
106.07287	3.6
106.54167	3.2
107.04941	6.0
107.08578	78.9
109.06472	29.9
109.10150	31.1
111.08062	13.2
117.06995	13.9
119.08578	54.1
121.06489	17.0
121.10116	30.4
123.08062	16.7
123.11684	19.5
129.06966	15.3
131.04878	36.7
131.08545	31.3
132.05310	7.2
133.10132	42.5
134.10408	4.1
135.08060	14.3
135.11610	23.8
137.05949	4.1
137.09612	15.8
141.07001	4.0
142.07797	6.9
143.08549	16.4
144.09360	3.5
145.10114	38.7
147.08051	6.7
147.11674	19.7
149.09630	25.8
151.07516	5.1
151.11189	13.3
155.08553	5.2
156.09312	4.4
157.10112	25.1
159.08067	5.3
159.11700	24.9
161.09602	14.5
161.13284	4.6
163.11192	5.9
169.10120	5.3
171.11696	7.7
173.13245	7.6
175.11128	15.7
175.14711	5.2
177.09016	4.7
177.12733	4.4
187.14787	6.0
189.12680	5.7
189.16444	4.4
193.06230	6.1
201.12817	4.5
201.16449	5.7
215.14325	5.7
217.15797	24.9
218.16309	7.2
221.09467	5.4
233.15349	4.8
235.16887	6.2
277.11816	57.2
292.14386	4.8
359.21866	4.0
419.22873	16.0
419.28119	5.2
436.53040	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31672	2.2
54.82321	2.3
55.01870	2.9
55.05509	9.4
56.96579	2.5
57.07068	2.6
58.55394	2.2
65.12511	2.1
67.05503	17.2
69.03432	3.0
69.07068	11.6
71.05006	3.7
79.05493	18.1
81.07037	34.7
81.88674	2.5
83.04976	5.3
91.05454	24.6
93.07023	43.7
95.04963	16.1
95.08588	22.1
97.06542	4.0
99.04467	3.0
105.07018	47.6
107.04943	3.6
107.08569	31.6
109.06518	4.8
109.10161	15.0
111.08110	4.2
117.06989	4.3
119.08530	28.5
121.06466	5.7
121.10116	17.6
123.08095	3.4
123.11665	8.8
125.09606	3.0
131.08548	15.9
133.06401	3.0
133.10106	22.3
135.08070	4.3
135.11676	16.6
137.09492	3.0
142.07780	2.6
143.08514	5.7
145.10130	17.6
147.07982	5.6
147.11702	15.3
149.05711	2.6
149.09613	11.7
151.07414	2.9
157.10085	9.6
159.08093	3.1
159.11684	9.6
161.05687	40.1
161.09599	4.6
161.13219	2.6
171.11804	3.4
173.13264	4.9
177.08842	100.0
187.11046	3.4
191.10680	2.3
193.08318	48.6
196.26216	2.6
199.14871	2.7
215.14325	5.3
217.15944	4.5
227.17967	3.6
233.15419	4.7
259.13055	5.8
261.14566	3.7
267.11917	3.2
271.45480	2.5
275.16122	31.7
277.14154	9.9
319.30585	2.8
326.83026	3.2
342.72903	2.9
373.23535	3.3
383.25381	2.9
387.21545	4.2
401.27014	5.5
419.23370	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.7
57.07059	2.1
67.05505	4.9
67.65940	2.3
69.03409	3.8
69.07055	10.5
79.05493	23.7
81.07050	20.9
83.04963	2.7
84.15075	2.4
87.79704	2.5
91.05465	21.6
93.07023	47.4
94.74732	2.6
95.04932	10.8
95.08588	4.5
105.07029	43.4
107.08588	33.0
109.10180	4.8
117.07020	4.8
119.08571	33.6
121.10123	5.7
123.08031	2.8
131.08560	13.4
133.10107	10.9
135.11670	27.8
142.07704	5.7
143.05408	2.5
143.08571	10.7
143.88426	2.9
145.10109	36.1
147.11670	100.0
148.48434	2.5
149.09639	5.6
157.10095	24.4
159.11705	4.3
161.09657	3.4
163.11119	3.0
175.11137	27.0
187.14757	4.1
189.16324	5.9
197.13242	3.8
205.15854	18.3
215.14433	3.0
217.15837	3.7
233.15311	70.9
353.41013	2.9
364.42462	2.9
401.82660	2.9
419.33490	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	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.05493	0.2
56.96535	0.5
57.03423	0.3
69.03409	1.2
70.06585	0.4
79.05478	0.3
81.03385	0.3
81.07050	0.5
84.08124	0.5
85.02875	2.4
85.62875	0.3
91.05449	1.3
93.07024	0.5
94.67411	0.3
97.02858	1.2
98.97551	1.1
105.07021	1.2
107.04960	1.3
114.38018	0.3
117.07008	2.5
119.04917	0.5
121.06510	0.6
123.04426	0.3
123.08076	0.3
128.06189	0.4
131.08479	0.4
131.24716	0.3
133.06442	0.4
133.10085	0.4
134.04651	0.3
135.08029	0.4
135.11502	0.3
137.05951	0.6
143.08534	1.2
145.06496	1.1
147.04376	1.9
148.04642	0.4
151.07529	3.0
161.05986	0.3
162.06731	3.0
163.07483	0.7
165.09113	0.7
166.32733	0.3
171.08081	0.4
175.07489	2.3
177.09074	100.0
195.10173	0.5
203.10655	0.5
220.90131	0.3
221.11688	7.0
236.39279	0.3
237.02940	0.3
273.39038	0.3
341.10257	0.4
405.96414	0.3
419.12668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.81907	0.6
55.05505	3.3
56.96558	0.5
57.07054	1.0
59.50879	0.5
61.02909	0.8
62.98374	0.6
64.40862	0.6
67.05500	9.0
68.05834	0.7
69.03413	2.4
69.07052	4.5
70.24969	0.5
79.05459	4.5
79.51508	0.5
81.07037	19.0
83.08591	1.5
85.02894	11.4
86.09751	0.7
88.61892	0.6
91.05454	8.4
92.08732	1.0
93.07024	11.4
94.07355	0.7
95.04970	0.9
95.08583	44.5
97.02873	1.4
97.06485	0.9
97.10172	1.2
105.07010	34.0
106.07331	1.1
107.08588	13.5
109.06530	0.9
109.10141	21.3
110.08772	0.7
117.06994	1.5
119.08560	29.0
119.09396	1.2
121.10125	20.9
123.08068	0.8
123.11682	26.6
127.03883	2.4
129.06944	0.8
131.08519	3.0
133.09177	1.2
133.10109	19.2
135.11662	3.1
137.09581	7.9
137.13142	0.9
145.04950	3.0
145.10101	3.8
146.10378	1.0
147.11668	53.5
157.10016	1.1
159.11649	2.3
160.12396	0.8
161.13226	12.7
162.13591	1.1
163.06044	1.4
163.14778	4.2
165.12753	3.4
167.06981	0.7
173.13191	1.2
175.14815	2.8
180.08655	1.1
193.12181	0.6
198.09750	1.2
203.17921	100.0
205.50218	0.8
220.17847	0.9
221.11734	0.9
221.18968	26.4
374.38107	0.6
406.84171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73438	1.3
53.03959	1.4
53.86141	1.2
55.01866	1.6
55.05274	1.4
55.05500	12.7
56.96558	17.4
57.03412	2.6
57.07068	2.5
59.04986	5.3
59.27966	1.2
67.05494	17.9
69.03415	7.6
69.07050	12.4
71.04971	15.9
73.02914	1.3
79.05470	19.7
80.72192	1.3
81.03415	2.6
81.07040	49.9
82.07377	1.8
83.04979	3.5
83.08582	2.6
85.02886	28.4
85.06531	3.3
91.05455	36.7
93.07028	42.1
95.04934	7.3
95.08585	61.9
95.09203	2.1
97.02876	5.1
97.06519	7.0
98.97543	1.9
99.04436	1.8
101.02326	1.5
105.07012	57.5
107.08582	37.6
109.06516	3.2
109.10140	56.4
111.08051	1.8
115.07540	3.1
117.06983	6.6
119.08562	56.7
120.08896	1.5
121.06478	3.0
121.10139	24.6
123.08058	5.8
123.11687	28.3
125.09695	1.6
126.93725	1.6
127.03898	6.0
129.07042	1.6
131.08583	6.1
133.10106	33.4
135.11702	12.6
139.07576	1.3
144.21638	1.5
145.04929	10.6
145.10107	10.8
147.11667	62.3
149.09650	2.6
149.13190	2.9
151.11136	2.5
155.08612	2.3
157.10175	2.2
159.03285	3.3
159.11668	6.4
161.09633	3.1
161.13257	15.4
163.06003	2.8
175.14828	8.0
198.09711	1.5
199.06432	1.7
203.17926	100.0
221.15308	2.8
221.18974	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	418.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09981	0.3
56.00230	0.4
57.07070	3.7
58.69870	0.4
62.55475	0.4
62.70297	0.3
65.03992	0.3
67.05477	0.8
69.07053	1.7
71.08614	3.9
76.56584	0.4
79.05456	0.4
81.07047	0.8
91.05450	2.6
93.07014	2.5
105.07018	12.1
107.08598	0.8
109.06495	0.5
109.10123	2.0
111.04414	2.4
112.38794	0.4
114.37730	0.4
117.07018	2.9
119.04884	0.6
119.08578	3.2
121.06478	7.9
125.05954	0.5
127.75085	0.4
128.06137	0.5
130.07733	0.9
131.08539	8.6
133.10100	4.9
135.08028	3.6
135.67867	0.4
142.07759	1.9
143.08527	2.1
145.10104	100.0
146.07251	3.4
147.08046	0.5
149.09590	0.8
154.09833	2.0
157.10117	4.0
159.11661	13.5
161.08221	0.7
161.09587	26.0
175.11157	8.9
201.16350	41.7
217.15817	3.6
273.44720	0.5
342.54700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
57.07060	3.2
61.17498	0.3
67.05477	1.7
69.07047	1.3
71.08614	4.1
79.05476	0.5
81.07037	1.7
83.08573	0.5
91.05469	2.8
92.09281	0.5
93.07033	2.6
95.04951	0.4
95.08575	1.2
97.06525	0.5
105.06365	0.7
105.07017	11.3
105.07658	0.4
107.04942	0.5
107.08571	1.9
109.06490	0.4
109.10153	1.6
111.04416	2.6
115.05498	0.5
117.06985	2.6
119.04917	1.3
119.08546	2.8
121.06483	7.6
121.10123	0.7
128.06195	0.3
129.06961	0.8
130.07729	2.0
131.08554	8.6
133.10109	5.9
135.08040	3.4
142.07738	2.3
143.08527	1.9
144.09288	0.7
145.10104	100.0
146.07268	4.3
146.10406	0.3
147.08034	0.6
154.09888	2.9
157.10088	5.0
159.08052	0.4
159.11656	15.9
161.09584	33.5
175.11131	12.0
181.51872	0.3
201.16354	41.5
217.15849	4.3
267.94910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
54.74378	1.7
55.01875	2.0
55.05503	11.0
56.96558	3.6
57.03429	91.2
57.07081	1.6
58.06638	1.3
59.04985	9.3
61.02912	6.0
67.05500	25.4
69.03420	12.4
69.07061	13.8
71.04971	7.0
73.06524	2.0
75.04453	2.2
79.05482	27.0
81.03386	3.1
81.07042	80.8
83.04953	6.4
83.08607	2.7
84.25543	1.3
85.02419	2.2
85.02898	37.4
85.06529	2.5
85.64631	1.4
87.04430	2.4
91.03938	1.7
91.05461	28.1
93.07024	60.8
95.04951	30.8
95.08591	37.5
97.02869	11.1
97.06512	6.7
98.97571	7.6
99.04434	1.8
105.07018	54.7
107.08577	37.2
109.02868	2.6
109.06513	7.5
109.10145	25.6
111.08065	23.5
113.09649	3.1
116.98595	2.2
117.07017	6.2
119.08569	51.4
121.06516	1.8
121.10123	89.9
123.08006	2.5
123.11720	7.0
125.09659	2.1
127.03917	3.7
129.06987	2.0
131.08557	15.1
133.10089	26.9
135.08040	2.3
135.11656	10.5
139.11168	74.2
142.07729	2.3
143.08551	7.4
145.04893	2.6
145.10112	22.4
147.08041	10.1
147.11671	97.9
151.07504	7.0
157.10114	19.5
159.11678	10.0
161.09555	5.8
161.13246	13.9
163.14806	9.6
165.12726	8.1
169.67284	1.5
175.11125	2.4
175.14815	21.8
177.00691	2.2
184.96257	1.7
185.13232	14.6
191.10754	2.8
203.14319	37.0
203.17923	48.5
221.15332	37.0
221.18863	12.4
231.04971	1.7
239.16374	100.0
339.21588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
54.06358	0.9
55.01870	4.9
55.05510	12.7
56.96556	4.3
57.03429	84.2
57.07062	2.3
58.64198	0.9
59.04981	6.2
61.02916	2.0
65.03931	1.2
67.05492	22.3
69.03421	11.5
69.07047	13.7
71.04989	8.5
73.06526	1.9
75.04446	1.9
79.05476	26.8
79.05901	1.6
81.03426	2.5
81.07039	60.9
83.04965	5.8
83.08605	4.6
85.02892	24.6
85.06536	2.7
91.05460	19.0
93.07024	55.8
94.86994	1.4
95.04958	23.8
95.08585	39.1
97.02879	7.1
97.06523	7.4
97.10145	1.5
97.49368	1.2
98.97570	4.8
99.04441	2.1
101.61088	1.3
105.07018	55.1
107.08575	28.0
109.02914	2.2
109.06488	10.7
109.10151	24.0
110.00394	1.1
111.08064	24.7
113.05964	1.3
116.98666	1.3
117.07009	6.7
119.07716	2.2
119.08561	47.5
121.06490	2.3
121.10123	76.0
123.08029	4.9
123.11684	6.6
127.03905	4.8
129.07007	5.1
131.08563	18.6
133.10100	24.8
133.11020	1.6
135.08054	1.8
135.11705	8.8
137.09642	2.1
139.11166	65.8
142.07784	2.6
143.08583	7.2
145.04968	4.8
145.10072	20.9
147.08058	6.9
147.11668	100.0
149.09619	4.7
149.13217	1.6
151.11201	1.4
157.10115	15.0
159.11638	8.6
161.09592	5.7
161.13251	20.9
163.14822	7.0
165.12759	7.9
175.14764	16.9
177.00768	1.2
177.16411	1.2
185.13269	13.1
203.14302	33.7
203.17932	35.2
221.15320	34.8
221.18962	4.8
231.16997	1.1
239.16368	91.9
307.86295	1.2
331.36258	1.2
394.68610	1.4
400.36124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57125	0.1
58.90786	0.1
73.06538	0.7
77.55328	0.2
79.05454	0.7
82.62970	0.2
85.02896	0.2
91.05452	0.3
92.09358	0.3
93.07027	0.7
103.05452	5.0
107.04958	1.5
120.08087	100.0
121.08419	0.6
129.46289	0.2
131.04906	2.5
149.05974	1.4
166.08609	25.6
288.11151	0.2
311.58090	0.2
342.27209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01848	1.8
55.05503	18.1
55.08550	1.3
57.03426	1.6
57.07059	3.3
59.04976	2.4
61.02905	2.2
65.03924	2.3
67.05491	18.5
69.03401	6.9
69.07047	16.0
71.04973	40.6
71.05336	2.9
73.02879	1.3
73.06532	3.0
79.05476	28.2
81.03383	2.1
81.07033	58.9
83.04951	3.7
83.08602	9.4
85.02885	12.0
85.06525	3.6
88.29156	1.5
91.05450	30.8
93.07020	39.0
95.04933	7.4
95.08583	39.2
97.02866	2.1
97.06512	10.3
97.10114	3.3
98.97511	2.1
99.08058	12.7
103.05421	2.7
105.07006	76.3
107.04933	3.0
107.08572	43.4
109.06508	8.2
109.10129	24.9
111.08076	1.7
114.68318	1.4
115.05382	3.2
116.98576	2.9
117.07003	11.4
119.08555	26.5
121.10146	23.0
123.11648	10.2
125.09593	18.0
127.07568	2.7
127.11172	6.5
129.06966	2.2
131.08528	18.1
133.10103	100.0
135.11659	7.0
137.05972	9.9
137.09656	2.5
137.93800	1.6
142.07759	1.7
143.10648	22.9
145.10107	23.3
147.11688	15.2
149.13231	23.6
151.11160	2.0
157.10078	1.7
159.11667	16.4
160.12051	2.4
161.09526	1.9
161.13216	6.5
163.07513	2.4
163.11150	2.6
167.06990	26.9
167.14284	37.3
169.12187	2.2
173.05978	3.2
173.13258	2.8
175.14784	2.2
177.12758	2.1
181.04921	12.2
191.06822	1.7
201.16362	14.0
219.17381	33.9
237.18394	11.5
251.72289	1.6
259.09607	2.0
387.14362	1.9
417.15289	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	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91174	0.5
53.03940	0.5
55.01868	0.9
57.03424	3.0
58.22514	0.5
61.02910	3.0
69.03412	8.7
70.06574	2.3
72.08161	0.6
73.02904	0.9
75.34358	0.6
77.16782	0.5
79.05479	0.9
81.03403	2.7
83.04957	0.6
85.02889	24.8
87.04446	0.7
91.03951	0.7
91.05431	0.6
92.08732	0.6
95.04956	0.6
97.02857	8.2
98.97580	0.7
99.04452	1.0
103.05441	2.2
105.07037	2.6
106.06538	100.0
109.02865	2.5
109.06535	0.7
114.37894	0.5
115.05457	5.0
117.06977	1.3
118.06512	2.9
119.08526	0.7
121.06487	1.0
124.07536	1.2
127.03902	4.3
131.04909	15.7
133.06483	5.6
137.05960	2.2
143.04932	4.2
145.04956	3.3
145.06499	0.9
147.04362	0.6
148.05168	1.2
148.07561	0.6
159.04372	1.2
159.11621	0.7
160.05128	6.0
161.05969	4.6
163.03812	1.0
163.07500	11.8
165.09103	1.9
175.07504	29.7
176.04729	0.6
177.05482	0.9
180.08580	0.6
182.67220	0.5
189.05470	0.8
191.07002	9.8
193.08569	33.0
201.00424	0.6
203.07001	1.3
221.08032	5.7
234.50421	0.6
238.10736	2.8
239.09122	13.7
256.11679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
54.04022	1.8
55.01867	4.2
55.05506	19.2
56.96561	2.2
57.03411	2.4
57.07045	1.9
61.02909	2.4
62.88570	2.0
65.03943	2.6
67.05492	43.2
68.77744	2.1
69.03407	10.6
69.07053	19.3
71.04962	4.4
79.05479	38.5
80.05774	1.9
81.07043	100.0
83.04963	9.8
83.08600	2.3
85.02893	10.9
88.29877	2.0
91.05463	50.0
93.07023	82.5
95.04962	12.4
95.08590	63.8
97.06509	4.9
98.97585	2.5
99.04433	2.8
103.05433	2.7
105.07021	92.4
107.04994	3.4
107.08581	54.8
109.06484	14.1
109.10146	43.0
111.08090	4.0
115.05424	3.1
117.07005	27.7
119.08564	51.7
121.06467	3.4
121.10140	39.4
123.04450	3.7
123.07974	3.2
123.11684	8.5
125.09594	3.9
129.06973	2.5
130.07822	3.5
131.08531	35.2
133.10115	34.3
135.08011	8.6
135.11711	14.9
137.09554	4.3
142.07866	2.1
143.08565	5.2
144.09322	2.4
145.06500	2.8
145.10107	65.8
147.11691	14.9
149.13298	3.7
151.11188	8.5
158.10866	2.1
159.11652	45.1
161.13239	28.7
163.11174	8.3
167.07021	36.1
173.05960	4.6
173.13214	9.5
175.14798	4.4
181.04912	12.9
191.07019	5.2
192.61258	2.3
201.16360	38.3
203.17853	6.9
206.08072	3.6
211.36884	2.6
219.17444	19.7
237.18529	3.5
417.15085	2.8
417.20428	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	416.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02436	1.3
53.03939	3.2
55.01857	5.6
55.05503	16.4
56.02956	1.6
56.96551	3.1
57.03429	3.2
57.07063	2.3
61.02909	7.9
65.03934	1.5
67.05492	43.5
69.03400	14.7
69.07056	18.8
71.04977	6.3
79.05475	41.4
81.03418	8.4
81.07040	100.0
83.04970	6.7
83.08614	1.7
85.02895	38.9
87.04470	1.8
91.05460	51.2
93.07020	72.1
95.04966	11.6
95.08584	56.3
97.02853	10.9
97.06504	3.9
97.10143	1.7
99.04441	1.9
103.05437	1.8
105.07011	97.6
107.08579	51.8
109.06519	9.6
109.10146	24.2
111.08110	1.8
115.05467	1.9
117.06982	21.8
119.08561	58.5
121.06484	3.6
121.10128	25.4
123.08055	6.2
123.11691	2.9
127.03902	5.8
128.06166	1.8
129.06996	6.1
130.07768	9.5
131.08537	37.3
133.10097	34.4
135.08047	7.7
135.11658	21.8
143.08565	6.7
144.09256	2.1
145.10103	61.0
146.10954	2.1
147.11659	12.1
149.09639	3.3
157.10136	3.3
159.11673	33.0
161.13216	46.6
163.11121	2.5
173.13191	10.8
175.14775	3.0
189.16451	2.1
191.17911	3.0
201.16345	41.9
203.17973	2.9
219.17429	24.0
288.25732	1.7
355.21576	2.0
442.16360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75912	0.7
64.32912	0.8
67.05480	2.0
69.89917	0.7
71.48408	0.7
76.46735	0.8
79.05463	1.2
80.69115	0.9
81.07019	1.6
95.08596	6.5
99.27780	0.9
105.07024	1.7
107.04937	3.9
107.08534	1.2
111.04421	0.9
122.07257	8.5
123.08044	12.1
131.08443	0.9
135.08031	4.1
137.06000	0.9
150.06740	15.6
151.07512	100.0
152.08212	5.7
163.11134	1.0
176.08347	1.3
177.09090	1.1
188.32417	0.8
191.10591	11.4
191.28763	0.8
265.92780	0.9
297.56586	0.9
390.39816	0.8
416.36407	46.4
423.04538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02454	0.5
53.92469	0.4
56.96555	0.9
57.03423	0.6
59.35641	0.4
61.02905	0.5
64.33833	0.5
69.03415	0.9
71.53696	0.4
81.03391	2.4
84.86069	0.5
84.94564	0.5
97.02836	1.1
98.97588	0.7
101.00867	0.6
104.89288	0.5
109.02860	4.9
115.68475	0.5
116.98634	1.0
119.01930	4.2
120.95444	0.7
130.41608	0.6
133.03461	0.9
137.02985	0.7
138.96375	0.9
145.03426	2.1
156.97456	40.1
157.03427	2.6
157.97517	0.6
161.01315	0.6
174.98502	44.5
175.04518	0.6
176.97797	0.6
180.97400	4.7
182.99007	16.8
185.02858	0.7
194.97333	0.9
194.99005	14.7
196.96936	3.1
198.27229	0.6
198.98503	42.6
199.98663	0.6
201.00061	19.4
202.97969	0.6
203.03998	0.7
204.97556	0.6
210.98523	2.6
213.00070	54.0
214.98053	0.8
216.99550	11.1
218.98880	0.5
221.04993	1.0
222.98494	5.9
225.00038	2.6
228.99530	0.7
231.01025	8.2
234.98439	0.6
237.00084	1.0
239.06094	2.1
240.99527	8.7
245.03430	0.7
246.98428	0.8
255.00732	0.6
259.00644	1.1
264.99484	2.5
269.03549	0.8
269.17703	0.6
270.03543	0.7
283.00626	4.5
301.01639	100.0
302.01807	2.7
319.02628	9.1
320.26846	0.6
357.04233	65.0
358.04495	0.6
375.05475	7.2
376.06250	1.1
393.06329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1751
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03929	1.1
55.05488	3.1
57.03429	14.9
58.24923	0.6
59.04979	0.9
61.02903	1.4
65.65957	0.7
67.98370	0.6
69.03408	4.3
71.01308	0.7
71.04974	42.1
73.02905	5.5
75.04462	9.5
79.05473	1.6
81.03423	0.8
81.07021	1.2
83.04967	10.6
85.02888	100.0
86.09680	0.9
87.04434	3.7
91.05460	37.9
92.47575	0.7
95.04956	1.0
95.11507	0.8
97.02858	9.1
97.06448	0.9
99.04446	1.6
101.06003	1.0
105.06992	4.1
107.08555	0.8
109.02846	1.7
111.04404	4.1
114.63886	0.7
114.79331	0.7
115.03850	0.7
117.06976	1.3
119.08534	1.0
127.03853	3.2
129.05450	20.8
129.06931	1.3
130.50322	0.7
145.04964	0.8
145.06389	1.5
147.04474	0.9
147.06479	11.2
309.11774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.0
53.03926	2.5
55.05499	18.6
56.96553	1.9
57.03427	3.1
57.07055	5.0
59.04980	2.1
67.05487	22.8
69.03414	8.0
69.07056	17.0
71.04611	2.4
71.04975	49.8
71.08630	1.2
73.06525	5.6
79.05469	28.3
81.03390	2.7
81.07037	63.9
83.04953	6.4
83.08588	8.8
85.02891	13.9
85.06506	5.3
87.08091	1.2
91.05451	32.0
93.07022	46.9
95.04932	10.6
95.08582	53.5
97.02876	2.6
97.06499	9.6
97.10144	2.9
98.97579	2.2
99.08072	12.2
103.05447	2.8
105.07012	79.9
107.04945	6.1
107.08572	42.9
109.06478	6.1
109.10133	26.9
111.08054	5.6
115.05447	1.5
117.06959	9.6
119.08556	28.1
121.06487	6.0
121.10114	26.6
123.04405	2.8
123.08060	2.4
123.11669	13.4
123.16059	1.2
125.05967	1.5
125.09607	20.2
127.07489	2.7
127.11153	5.8
131.04915	2.4
131.08534	16.8
133.06500	1.8
133.10106	100.0
133.81435	1.5
135.08051	2.0
135.11650	8.2
137.05905	3.1
137.09595	2.0
143.08586	2.7
143.10663	20.5
145.06528	2.0
145.10117	24.7
146.10495	1.8
147.11665	16.2
149.09729	1.4
149.13223	22.3
151.11140	6.8
153.01770	1.5
155.10637	1.8
157.10129	2.2
159.11658	15.1
161.13182	9.7
163.07477	1.7
163.11134	6.9
167.07024	35.4
167.14276	35.7
167.15588	1.9
169.12245	4.5
173.05978	2.9
173.09610	1.4
173.13225	5.3
175.14760	2.7
177.12662	1.9
181.04938	16.2
191.06914	2.0
195.50534	1.6
201.16371	17.6
217.15752	1.7
219.17430	42.3
233.08098	2.0
237.14616	1.4
237.18378	11.5
387.14392	2.0
417.15475	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	416.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07011	0.8
55.01865	1.5
55.05500	6.5
56.96558	2.7
57.03427	1.8
57.07083	1.7
59.04976	1.4
61.02915	2.2
65.03917	1.7
67.05492	17.5
69.03423	7.4
69.07054	10.3
71.04977	5.8
79.05471	14.6
81.03410	2.6
81.07040	26.5
81.07476	1.5
83.04977	1.7
83.08621	4.4
84.18948	1.0
85.02898	13.7
85.06520	1.9
91.05460	19.1
92.08900	1.1
93.07018	32.4
95.04947	6.7
95.08575	22.0
97.02892	4.5
97.06517	2.0
98.97588	1.4
103.05476	1.3
105.06355	1.3
105.07013	38.9
107.04927	1.4
107.08592	28.1
109.02893	1.8
109.06516	4.5
109.10149	51.9
111.08073	1.9
113.05972	1.2
115.05444	1.7
117.07004	23.6
119.08559	29.3
121.06467	1.4
121.10115	15.6
121.34313	1.0
123.08058	2.7
123.11710	4.4
125.09625	1.2
127.03918	2.1
129.07014	4.6
130.07764	4.7
131.08548	32.1
133.10095	16.0
135.08063	2.3
135.11673	6.0
137.05925	2.8
143.08543	4.6
144.09340	1.3
145.06400	1.2
145.10112	55.2
145.11232	2.3
147.11649	5.6
151.07578	1.5
151.11111	1.4
155.08525	2.3
157.10103	7.0
159.11671	33.3
161.13246	10.3
163.11201	5.0
173.13284	6.6
177.09155	1.4
191.10701	2.4
199.14929	1.1
201.16353	100.0
203.17940	5.2
219.13969	3.7
219.17432	16.2
288.81317	1.1
326.37405	1.2
416.28598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.80905	0.7
55.01867	4.5
57.03430	11.4
59.04998	1.1
61.02911	7.8
69.03423	17.2
69.07049	11.2
71.04978	34.6
73.02896	11.5
73.06553	5.7
75.04502	1.6
81.03416	4.9
83.04964	4.6
85.02894	100.0
87.04472	1.7
87.08094	48.9
91.03938	1.6
97.02876	19.8
99.04453	3.3
103.03918	1.7
109.02881	6.2
111.04429	3.2
115.03901	8.5
127.03893	14.0
129.05449	10.5
133.04973	7.2
145.04950	14.9
147.06525	4.8
163.06026	3.4
183.10208	1.4
190.39253	0.8
193.28622	0.9
201.11285	1.0
237.13435	1.0
267.14319	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	416.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01858	7.1
55.05502	18.8
56.96556	33.9
57.03427	3.5
61.02908	8.0
61.83308	1.7
65.03932	2.5
67.05489	35.0
69.03405	23.9
69.07050	16.5
71.04990	15.1
73.02898	2.9
79.05477	44.5
81.03409	12.6
81.07037	57.0
83.04958	8.0
85.02888	49.0
85.06533	3.0
91.05461	100.0
93.07025	54.4
95.04939	15.1
95.08581	22.6
97.02865	17.3
97.06506	8.9
99.04435	3.2
103.05418	2.9
105.07013	66.5
107.04948	3.8
107.08576	33.8
109.02908	2.4
109.06509	9.0
109.10163	11.6
111.08092	2.9
115.05424	9.3
117.06997	72.1
119.08560	45.5
121.06493	8.4
121.10145	16.3
123.08061	4.2
123.11644	2.8
127.03931	3.5
128.06213	2.0
129.06989	37.6
130.07733	2.8
131.08551	78.5
131.09560	2.5
133.10109	25.9
135.08055	12.3
135.11676	6.8
137.06030	2.3
141.02248	2.7
141.06956	25.2
142.07761	4.0
143.08537	8.8
144.09311	3.4
145.04936	3.8
145.06555	2.7
145.10100	52.4
147.08047	4.6
147.11674	9.9
149.09624	3.2
155.07440	1.8
155.08499	19.1
157.10085	38.7
157.39412	2.0
159.03322	3.4
159.08041	11.4
159.11685	59.6
161.13242	4.1
163.11163	3.8
167.22162	1.8
168.09344	3.7
171.03290	2.8
171.11624	2.1
173.09563	4.6
173.13232	26.1
175.14807	2.6
183.11661	31.7
196.07167	2.1
199.06538	2.4
201.04520	2.0
201.12711	34.8
201.16364	35.5
219.13750	37.3
219.17233	18.0
227.09630	2.4
237.18468	2.5
273.11502	2.1
291.12494	3.9
309.13724	3.3
381.22598	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	415.3568
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03935	2.3
55.05310	1.5
55.05509	25.2
55.81583	1.5
57.07064	10.0
63.88416	1.8
67.05499	34.9
67.15885	1.7
69.07059	31.5
79.05476	34.7
81.07048	50.8
83.08611	10.4
85.06506	1.7
91.05462	53.4
93.07025	81.0
95.04949	7.3
95.08592	48.7
97.10146	4.6
105.07019	100.0
107.08585	55.3
109.10155	25.1
109.91296	1.7
111.39657	1.7
117.06990	18.5
119.08568	63.4
121.06499	2.3
121.10123	17.5
123.11642	4.5
131.08551	26.0
133.10109	71.8
135.11684	25.6
143.08533	3.5
145.10106	17.6
147.11673	25.3
149.13210	2.1
157.10017	2.5
159.11668	11.3
161.13226	10.6
171.11659	2.8
173.13237	8.7
173.17166	1.8
175.14775	12.0
189.16388	4.6
203.18068	2.2
225.16408	2.6
331.26245	3.0
341.28256	2.2
355.29977	2.9
359.29349	3.1
395.93518	2.1
397.34644	8.0
415.30722	9.8
415.35660	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35577	0.8
53.03939	1.0
55.01847	0.9
55.05501	2.1
57.03428	14.4
61.02919	1.5
69.03414	6.2
69.72385	0.8
71.04977	69.8
72.08134	2.3
72.44778	0.8
73.02900	4.6
73.06542	18.1
75.04456	4.7
83.04945	8.6
85.02891	100.0
87.04460	3.5
91.07590	1.0
97.02879	6.0
98.97579	0.9
99.04452	1.8
105.07029	1.0
107.04928	1.7
109.02887	1.7
111.04440	7.4
115.03989	1.3
121.02831	1.3
127.03906	4.5
129.05446	27.3
145.04944	2.1
147.06508	14.0
163.05977	0.9
164.09171	1.3
237.13251	1.4
252.77141	1.0
253.12677	1.2
309.12030	1.2
332.68817	0.9
398.82813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2323
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.03921	2.1
53.09765	1.5
55.01861	3.1
55.05500	11.5
57.03422	7.7
57.07070	1.8
59.04983	2.3
59.98779	1.6
61.02906	7.6
64.33585	1.5
67.05508	13.5
69.03417	21.6
69.07047	9.6
70.06569	2.5
71.04972	10.3
78.07583	1.5
79.05482	12.5
81.03406	4.3
81.07038	35.1
83.04952	2.4
83.08588	2.8
85.02885	38.5
89.84087	1.9
91.05466	22.8
92.09296	2.3
93.07022	40.5
93.38842	1.7
95.04929	7.2
95.08585	32.3
97.02878	10.6
97.06514	4.4
100.44862	1.7
103.05444	2.2
103.60686	1.7
105.07012	48.0
107.04940	2.3
107.08569	35.8
109.02870	2.1
109.06513	10.9
109.10153	15.1
117.07012	7.6
119.04917	3.3
119.08556	53.0
121.06494	7.9
121.10099	15.9
122.03602	2.3
123.08054	4.1
125.09573	2.4
127.03847	3.1
129.06985	8.3
131.08556	22.1
133.10110	37.7
135.08055	4.0
135.11646	12.6
137.05962	50.4
141.06973	1.9
142.07764	8.2
143.08559	11.7
144.05666	3.5
145.04907	2.6
145.06422	2.0
145.09096	1.9
145.10080	15.4
147.08093	3.5
147.11673	16.6
149.05988	2.6
149.09622	7.7
149.13255	23.9
151.07536	3.1
151.11171	2.9
154.53720	2.0
155.08528	4.0
156.09341	2.0
157.10094	30.0
159.08046	2.8
159.11658	41.8
161.05957	7.8
161.09596	19.4
161.13243	20.1
163.11111	14.1
163.22812	1.9
165.06987	3.6
165.08891	2.0
171.08018	2.4
171.11691	7.8
173.13226	8.4
175.07574	2.0
175.11183	10.7
175.14833	9.7
177.12697	41.8
179.10593	2.5
182.07257	8.2
183.08101	2.7
184.08675	2.1
185.09579	12.7
186.06754	2.1
187.11205	2.2
187.14787	1.8
189.12680	4.1
189.16354	24.3
191.07071	3.0
191.14165	2.3
193.15987	1.8
195.13722	3.0
197.09540	6.8
198.06703	14.8
199.07504	11.2
199.14777	26.0
200.08379	3.1
202.13510	8.6
205.15889	7.7
212.08350	2.9
213.09071	20.0
215.10519	3.2
217.15839	100.0
225.09119	9.2
235.16878	85.7
243.10274	15.8
253.14130	11.7
253.17923	20.2
273.11200	43.0
293.08133	2.3
302.09229	2.2
349.14218	2.4
367.15332	3.2
379.15298	2.6
397.16412	55.1
415.19089	11.7
415.23740	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	415.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01125	1.4
53.03940	2.1
54.44236	1.4
54.59175	1.2
54.81680	1.5
55.01866	1.9
55.05497	11.5
56.12677	1.4
57.03424	7.2
57.07089	1.3
58.66463	1.5
59.38934	1.2
61.02921	3.8
65.03911	1.8
67.05498	11.7
69.03414	19.8
69.07046	8.5
71.04977	6.7
72.43479	1.5
73.02915	3.2
79.05466	15.3
81.03397	8.1
81.07045	31.8
83.04984	2.8
85.02892	37.7
85.06529	3.6
87.68002	1.7
89.55849	1.5
91.05460	26.4
93.07028	39.8
95.04953	9.2
95.08598	26.0
97.02887	10.7
97.06534	3.4
100.34023	1.8
103.05461	3.6
105.07016	53.5
107.08578	34.2
109.02898	3.2
109.06521	10.9
109.10170	10.4
111.08048	2.5
117.06962	5.0
119.04931	8.5
119.08576	49.3
121.06529	3.9
121.10102	16.8
122.03576	5.3
123.08047	7.6
123.11715	3.0
127.03915	3.5
128.06212	3.9
129.07007	10.8
131.04955	4.1
131.08554	19.1
133.10101	34.7
135.08061	7.1
135.11699	9.8
137.05962	84.4
137.09642	3.2
141.07010	2.7
142.07774	9.6
143.08528	15.3
144.05734	1.7
145.04971	1.8
145.06517	4.0
145.10071	13.7
147.08012	3.3
147.11661	22.1
149.05948	3.2
149.09624	2.3
149.13239	18.3
151.07549	9.0
151.11200	3.1
153.07031	2.7
154.07826	2.4
155.08566	6.5
156.09329	2.2
157.06432	1.9
157.10133	33.3
158.07283	2.9
159.08038	8.4
159.11652	39.7
161.05995	17.8
161.09636	21.5
161.13223	16.4
163.11160	18.0
165.06973	8.5
167.08582	1.9
169.06406	2.8
170.07291	6.7
171.08003	2.4
171.11702	3.7
172.08746	6.0
173.09500	2.7
173.13286	3.5
175.07545	4.1
175.11159	10.1
175.14815	10.6
177.12709	49.4
177.14116	2.4
181.06512	3.6
182.07298	10.3
183.08025	3.5
184.08842	6.5
185.09624	20.4
186.06723	2.3
187.07568	8.3
187.11147	2.3
187.14764	2.6
189.12692	3.8
189.16341	22.5
191.07001	3.4
195.08049	2.7
195.13840	2.4
197.05983	2.8
197.09660	13.9
198.06711	26.2
199.07524	13.5
199.11194	2.0
199.14774	23.9
200.08342	1.9
201.09065	2.7
202.13498	3.7
205.15889	2.8
210.06783	2.9
211.07565	3.2
212.08330	3.6
213.09077	28.3
215.10735	12.0
217.15843	100.0
219.08081	2.1
225.09050	16.8
231.08037	2.4
235.16898	89.1
243.10185	27.3
245.11731	2.6
246.10335	2.0
253.17822	17.1
255.10242	6.9
257.09793	2.4
261.11365	2.3
265.08731	1.8
273.08365	2.3
273.11191	64.5
275.10858	2.4
277.08600	2.9
289.08545	2.8
291.10056	7.1
293.08197	2.5
293.11758	2.4
307.09601	9.6
308.10236	3.3
321.11078	6.1
335.12646	2.7
342.21661	1.8
351.12372	6.8
354.14786	3.9
379.15735	3.4
397.16434	87.3
397.21585	5.1
415.18710	5.0
415.23465	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	414.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72793	0.5
53.00303	0.6
53.03935	5.8
55.01880	7.1
55.05510	9.5
56.17202	0.5
56.23224	0.5
57.03422	0.9
57.07066	0.6
59.04979	0.9
65.03923	0.7
67.05502	6.9
69.03412	2.2
69.07055	6.8
70.60689	0.5
71.04980	5.1
76.48550	0.5
77.03906	0.8
79.05470	9.5
81.03412	0.5
81.07043	17.2
82.45681	0.6
83.04974	2.8
83.08597	4.0
85.06529	8.2
91.05468	32.9
91.87390	0.6
92.08749	0.8
93.07027	100.0
95.04951	11.7
95.08585	4.4
95.97088	0.5
97.06512	1.2
101.10022	0.5
103.05453	0.8
105.04523	3.0
105.07017	8.0
107.04947	1.0
107.08580	18.0
109.06518	3.5
109.10160	1.1
109.37524	0.5
110.09692	0.8
111.08075	30.6
115.05471	0.5
117.07026	2.4
119.08582	4.0
120.37788	0.6
121.10125	6.1
123.08047	0.7
123.11679	1.0
125.09606	0.8
128.06177	0.6
129.06985	0.8
130.07782	1.0
131.08560	2.4
133.10132	2.2
135.08041	1.2
135.11664	1.2
135.66536	0.6
145.10138	2.1
149.09624	0.6
149.13235	6.2
290.35431	0.5
314.10587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.43552	0.7
53.87109	0.7
55.01858	2.1
55.05508	9.8
55.80180	0.9
56.07224	0.7
57.07069	5.2
59.04984	1.2
67.05492	8.8
69.03415	5.0
69.03773	0.7
69.07047	6.9
69.79684	0.7
71.04604	1.6
71.04979	34.5
71.05378	1.3
71.48042	0.8
73.06523	7.2
79.05485	9.6
81.07037	23.5
83.04965	4.8
83.08614	9.8
85.06528	20.8
91.05459	15.2
93.07026	30.2
94.07324	0.9
95.04938	10.5
95.08583	9.0
97.06526	1.4
97.10155	13.4
99.08080	12.8
105.07014	18.6
107.08581	47.5
109.06511	3.3
109.10133	7.8
111.08065	4.7
117.06992	5.8
119.08552	11.0
121.06472	3.9
121.10161	8.0
123.11689	4.4
125.09610	55.9
126.09956	1.5
127.07558	1.7
129.06960	1.2
130.07681	1.2
131.08527	8.1
133.10107	7.6
135.08028	4.8
135.11688	9.8
137.05971	1.8
143.10660	100.0
145.10104	18.1
147.11632	4.5
149.09576	1.4
149.13219	3.5
151.11119	3.3
156.15181	1.0
159.11638	9.1
161.13190	1.4
163.11174	1.8
171.11713	0.9
173.13235	1.7
175.14876	1.4
177.12698	1.8
181.15738	1.0
201.16396	11.2
203.17902	4.0
216.24809	0.9
219.17397	9.5
220.18384	0.9
322.02957	0.9
373.14023	4.0
414.26764	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	414.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.43552	0.7
53.87109	0.7
55.01858	2.1
55.05508	9.8
55.80180	0.9
56.07224	0.7
57.07069	5.2
59.04984	1.2
67.05492	8.8
69.03415	5.0
69.03773	0.7
69.07047	6.9
69.79684	0.7
71.04604	1.6
71.04979	34.5
71.05378	1.3
71.48042	0.8
73.06523	7.2
79.05485	9.6
81.07037	23.5
83.04965	4.8
83.08614	9.8
85.06528	20.8
91.05459	15.2
93.07026	30.2
94.07324	0.9
95.04938	10.5
95.08583	9.0
97.06526	1.4
97.10155	13.4
99.08080	12.8
105.07014	18.6
107.08581	47.5
109.06511	3.3
109.10133	7.8
111.08065	4.7
117.06992	5.8
119.08552	11.0
121.06472	3.9
121.10161	8.0
123.11689	4.4
125.09610	55.9
126.09956	1.5
127.07558	1.7
129.06960	1.2
130.07681	1.2
131.08527	8.1
133.10107	7.6
135.08028	4.8
135.11688	9.8
137.05971	1.8
143.10660	100.0
145.10104	18.1
147.11632	4.5
149.09576	1.4
149.13219	3.5
151.11119	3.3
156.15181	1.0
159.11638	9.1
161.13190	1.4
163.11174	1.8
171.11713	0.9
173.13235	1.7
175.14876	1.4
177.12698	1.8
181.15738	1.0
201.16396	11.2
203.17902	4.0
216.24809	0.9
219.17397	9.5
220.18384	0.9
322.02957	0.9
373.14023	4.0
414.26764	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	414.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03937	4.7
54.47222	0.4
55.01865	11.1
55.05505	9.4
57.07059	0.5
59.05001	0.5
64.33859	0.5
65.03927	0.9
67.05494	5.5
67.05782	0.7
69.03419	1.0
69.07052	4.4
71.04979	2.1
74.00265	0.5
79.05474	9.6
81.03409	0.7
81.07040	17.0
83.04963	2.6
83.08601	4.1
85.06544	1.1
91.05460	37.7
93.07024	100.0
94.07359	0.8
95.04948	19.5
95.08575	5.0
97.06480	1.0
103.05476	0.7
105.04501	2.2
105.07008	13.2
107.04954	1.2
107.08580	12.5
109.06499	3.7
109.10149	3.3
109.72677	0.5
110.09682	0.6
111.08066	24.6
115.05424	0.6
117.07021	4.9
119.08553	14.8
121.06455	0.7
121.10139	3.3
123.08070	0.8
123.11692	0.7
126.65425	0.5
128.06166	0.5
129.07013	1.2
130.07794	0.9
131.08554	3.7
133.10112	5.2
135.08032	2.8
135.11655	5.4
137.05873	0.6
142.07794	1.0
143.08560	0.8
145.10072	4.1
149.09599	0.8
151.11205	0.6
153.50482	0.6
163.11209	1.1
173.13219	0.8
218.87830	0.6
235.16838	0.7
272.88403	0.6
293.73349	0.5
395.28043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03137	0.5
53.03934	4.6
54.82325	0.7
55.01870	8.7
55.05507	9.9
59.04959	0.6
62.88185	0.6
67.05490	6.3
69.03413	0.8
69.07051	5.9
71.04968	4.4
79.05479	12.4
81.07038	18.9
83.04956	4.2
83.08609	5.3
85.06535	7.6
91.05462	35.1
93.07026	100.0
95.04945	14.0
95.08603	4.9
97.06482	1.4
105.04477	3.5
105.07011	10.7
105.71291	0.6
106.92509	0.6
107.04894	1.0
107.08588	13.3
109.06489	2.9
109.10105	2.6
111.07307	1.2
111.08069	29.8
114.58083	0.7
117.07014	1.3
119.08559	7.5
121.06482	1.4
121.10120	5.6
123.08002	0.9
125.06067	0.6
125.09586	1.4
129.06976	0.7
131.08531	1.1
133.10063	3.0
133.11014	0.8
143.08527	0.8
145.10123	1.3
147.11707	0.8
149.13249	4.6
159.11717	0.8
259.73605	0.9
432.44235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03930	7.5
55.01867	9.2
55.05509	14.1
56.96553	4.7
57.03425	1.2
59.04980	8.1
60.60405	1.1
65.03919	1.6
66.76726	1.1
67.05496	15.8
69.03400	6.0
69.07044	8.0
69.91615	1.0
71.04968	6.0
79.05472	20.1
81.03413	1.8
81.07039	36.8
83.04968	6.6
83.08587	4.8
85.02890	1.5
85.06538	1.7
85.48617	1.1
86.78167	1.1
91.05460	39.6
93.07026	73.4
94.07314	1.3
95.04948	29.4
95.08583	16.3
97.06500	5.3
99.04433	2.1
99.08086	1.5
105.04501	4.8
105.07005	21.9
107.04921	2.7
107.08578	21.4
108.09332	6.6
109.06515	13.7
109.10143	10.9
111.04408	2.5
111.08085	9.5
115.05388	1.3
116.98608	1.4
117.06992	5.0
119.04906	1.9
119.08560	10.1
121.06486	6.7
121.10117	4.7
122.03602	2.2
123.04425	1.2
123.08028	7.1
123.11675	2.7
125.05920	1.8
125.09571	1.8
127.07491	1.9
129.06949	2.3
131.08514	7.1
133.06450	1.4
133.10077	10.5
135.08009	2.2
135.11649	5.2
137.05962	100.0
137.09576	4.6
139.03912	5.6
141.01877	2.3
142.07782	1.4
143.08524	1.2
145.10089	8.4
146.10454	1.4
147.04378	6.6
147.11653	2.0
149.09587	2.0
151.07527	22.0
151.11171	1.2
152.07854	4.6
153.05408	6.1
156.04141	8.1
157.10129	4.6
159.11693	2.8
167.07008	2.8
173.09528	1.5
173.13304	1.4
175.11041	1.6
177.09056	4.3
179.06989	6.4
179.10579	1.8
191.10628	7.2
192.10905	1.5
199.14764	1.7
211.09615	39.1
251.12407	1.3
281.73444	1.4
301.21677	1.7
360.13034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39980	0.3
53.03925	2.4
55.01862	2.4
55.05505	5.9
56.96568	3.0
57.03424	0.8
57.07052	1.0
59.04976	2.3
64.17586	0.5
65.03910	0.7
67.05495	9.1
69.03401	0.9
69.07059	3.7
71.04973	2.5
75.04453	0.8
78.55283	0.4
79.05476	10.4
81.03418	0.4
81.07038	13.4
83.04977	3.4
83.08597	0.5
85.02875	0.4
85.06535	0.6
91.05464	17.2
91.06012	1.0
93.07024	34.1
95.04948	8.8
95.08580	6.3
97.06522	4.3
105.04536	0.8
105.07016	11.7
107.04958	0.8
107.08586	16.9
109.06505	6.9
109.09408	0.5
109.10149	11.6
111.08068	4.7
115.05476	0.8
115.99661	0.5
117.07001	0.8
119.04926	4.1
119.08570	7.0
121.06528	3.1
121.10123	1.8
122.03617	2.7
123.04454	0.6
123.08065	2.5
123.11655	0.9
125.09624	0.6
127.07568	0.5
129.06931	0.7
131.08527	3.0
133.06461	1.8
133.10115	3.5
135.08043	0.6
135.11681	13.0
137.05962	100.0
142.07756	0.7
142.88078	0.4
143.08525	0.7
145.10114	2.4
147.04405	6.3
147.11653	1.0
151.07518	4.9
151.11168	0.7
153.05435	1.0
154.06252	0.9
155.08661	0.5
157.10175	1.0
159.08073	0.6
159.11639	0.7
161.05980	0.6
161.09557	0.4
165.09055	0.8
167.06999	2.4
173.09589	0.5
175.11172	0.5
177.09033	0.7
179.07004	4.8
193.08607	0.6
197.04817	0.5
211.09641	39.5
242.96901	0.4
263.12845	0.8
398.04892	0.4
413.27127	0.6
414.28204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81035	0.5
52.02787	0.4
53.03930	2.5
55.01853	2.1
55.05492	2.6
56.03411	0.5
56.05017	1.1
56.85643	0.5
57.03427	5.8
58.06585	0.7
58.76186	0.5
59.04979	0.5
61.02919	7.5
62.89433	0.5
64.69241	0.5
67.05483	2.4
67.41814	0.6
69.03414	22.9
69.07057	2.4
71.04979	2.8
71.21201	0.6
73.02898	4.5
79.05485	1.4
81.03394	7.8
81.07037	15.3
83.04939	0.8
83.08589	0.5
83.35472	0.5
85.02888	31.6
86.06049	0.9
87.04450	5.4
91.03924	1.4
91.05441	2.7
93.07015	11.9
94.06535	1.2
95.08573	4.7
96.08146	0.6
97.02877	12.8
99.04419	0.9
101.02376	0.6
102.50727	0.6
105.07009	58.6
107.08568	7.1
108.08100	1.3
109.02856	5.5
109.10162	1.0
110.06036	5.0
115.03823	0.5
117.07006	0.9
119.08565	18.7
120.08054	0.7
121.10092	5.7
122.09656	0.7
124.07584	0.6
127.03875	5.1
129.06972	0.8
131.08548	6.8
133.10098	7.0
134.09566	0.9
135.11678	0.8
138.09119	0.7
143.08456	0.7
144.09283	1.1
145.04950	1.3
145.10089	9.9
146.09607	1.1
147.11665	3.8
148.11206	3.3
149.13214	4.8
157.10056	2.5
159.11668	8.9
160.11185	4.3
160.12416	1.1
161.13217	43.1
162.12782	1.1
169.83809	0.5
174.12756	3.5
175.13545	1.1
178.12247	2.1
182.31734	0.6
188.14357	1.1
189.16351	3.6
190.15840	0.6
200.06465	0.6
201.16394	5.5
202.15829	6.8
206.15382	0.7
215.14276	0.7
216.14563	0.8
216.17459	4.7
217.18227	11.9
218.18958	0.8
234.18471	38.3
235.19310	5.3
252.19516	5.3
372.64349	0.6
396.23517	0.6
397.24533	4.0
414.24799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.21872	0.5
53.86345	0.5
55.01854	2.7
55.05505	4.5
56.96553	1.2
56.98498	0.6
57.03402	0.6
57.07047	0.7
59.04977	1.3
62.97946	0.5
63.82281	0.6
65.03941	0.5
65.54263	0.5
66.73807	0.5
67.05490	8.8
68.83801	0.5
69.03424	0.8
69.07047	2.5
70.06554	0.8
71.04969	1.5
75.04453	0.9
79.05127	0.6
79.05488	9.9
80.06242	0.9
81.07037	15.0
83.04955	3.4
83.08597	1.3
85.06529	1.0
89.86227	0.6
89.95865	0.6
91.05463	15.3
93.07027	34.7
94.04159	0.9
95.04958	7.2
95.08570	5.5
95.50247	0.6
97.06521	3.1
105.07014	10.4
107.08595	18.4
109.06524	6.6
109.10147	12.2
111.08075	3.8
117.06975	0.7
119.04922	3.3
119.08574	5.6
119.20280	0.7
121.06479	3.0
121.10120	1.3
122.03638	1.6
123.08013	3.5
123.11670	1.4
129.06963	1.1
131.08545	1.2
133.06473	1.3
133.10098	3.2
135.11678	12.3
137.05960	100.0
137.09592	1.1
138.24913	0.6
143.08479	0.7
145.10083	3.1
147.04391	6.1
147.11690	0.9
149.09567	0.7
151.07520	3.8
151.11154	1.3
153.05472	0.8
154.06274	1.5
157.10152	0.9
159.11638	1.3
161.05920	1.3
167.06979	3.5
179.06920	5.2
193.08583	1.3
211.09627	37.9
263.12714	1.1
376.81360	0.7
413.27463	2.7
414.28049	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13305	0.5
53.00286	0.6
53.03931	1.1
55.01865	7.2
57.03427	16.6
57.07054	0.5
59.04995	1.5
61.02637	0.6
61.02912	10.7
69.03410	25.9
71.01321	3.2
71.04965	3.1
73.02904	18.2
81.03402	5.9
85.02886	100.0
85.10165	3.7
87.04453	4.2
91.03931	3.8
93.07014	1.0
94.06549	0.5
95.04943	0.7
97.02865	29.2
99.04412	4.1
103.03889	2.1
105.06992	2.9
107.04935	0.7
107.08524	0.6
109.02862	8.7
115.03904	8.4
119.08593	0.6
121.06470	1.0
121.10103	0.9
123.19434	0.6
127.03892	21.6
132.06541	0.7
133.04933	7.7
137.05930	0.7
143.08548	0.5
145.04930	30.8
145.06085	1.0
145.10098	0.6
147.08023	0.8
150.07552	0.5
163.05971	14.6
176.10196	0.5
189.09056	1.1
200.11948	0.5
202.15904	0.8
235.09625	1.3
235.16953	0.6
252.12270	1.1
253.34814	0.5
259.08096	0.7
265.16406	3.4
414.24420	0.9
420.22205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
53.03939	1.5
57.03176	1.8
57.03433	33.7
59.04985	4.8
59.37111	0.9
61.02915	8.3
67.05486	1.6
69.03424	63.0
71.04967	2.3
73.02907	28.5
75.04468	3.7
79.05476	1.4
81.03404	6.8
81.07034	2.0
82.74471	1.1
83.04962	1.7
85.02896	100.0
87.03942	1.7
87.04459	34.5
91.03922	2.2
91.05450	1.2
93.07018	1.9
95.04948	25.8
95.08563	1.2
96.05301	6.6
97.02879	56.2
97.03504	2.2
99.04435	2.2
105.07016	4.5
107.08591	1.8
109.02844	7.7
113.05965	1.1
115.03150	2.0
115.03922	41.4
116.98620	1.3
119.08613	1.9
127.03904	14.6
133.04959	31.1
133.06447	1.3
145.04970	26.4
150.07625	2.5
163.06006	8.6
201.12726	1.3
208.10303	1.0
259.08047	1.8
295.10086	1.4
339.97491	1.3
411.81894	1.1
414.21765	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50311	0.6
51.99060	0.6
53.03939	0.7
55.01876	9.8
57.03429	18.3
59.04987	1.8
61.02915	16.3
69.03419	33.9
71.01340	3.1
71.04976	1.2
73.02903	65.3
81.03419	5.8
81.07035	0.8
85.02892	100.0
87.04453	5.4
91.03938	4.5
92.09243	0.8
97.02872	45.5
97.03502	1.7
99.04453	5.8
100.16479	0.7
103.03900	1.2
109.02892	7.8
109.10191	0.8
115.03908	20.2
127.03899	22.9
133.04942	18.2
133.10143	0.8
145.04945	35.1
150.07523	1.3
160.08971	0.7
163.05984	15.3
193.55281	0.8
223.05991	1.5
241.06906	1.1
259.08136	4.2
265.16330	1.5
309.84039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71261	1.1
53.03941	1.7
54.81824	1.3
55.01863	20.9
55.63285	1.0
57.03427	33.0
57.07066	2.5
57.84202	1.2
59.04979	5.7
61.02909	20.0
69.03414	37.9
71.01335	9.1
71.04951	1.5
72.04505	1.4
73.02900	47.3
81.03405	6.6
85.02885	100.0
85.06512	2.4
87.04465	5.9
91.03942	2.8
97.02870	53.6
97.03496	2.1
98.97563	1.5
103.03918	2.6
109.02874	5.7
111.70827	1.5
115.03902	23.1
127.03883	24.0
129.06837	1.4
133.04951	26.3
144.06487	2.4
145.04942	28.4
145.06056	2.0
150.07607	3.0
163.05974	10.3
180.08614	2.1
223.06041	2.5
241.07088	2.7
247.11760	2.1
259.08124	2.5
333.62982	1.4
335.28723	1.4
351.54907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01855	4.5
55.05500	6.5
57.03424	5.9
59.04982	1.4
61.02908	2.2
61.62961	1.0
67.05493	30.9
69.03410	10.2
69.07052	1.4
70.06591	1.2
75.25163	1.0
79.05474	27.4
81.03397	5.4
81.07040	18.6
83.08600	9.9
84.08934	1.6
85.02890	27.3
85.06499	1.8
87.04443	9.8
91.05438	9.5
93.07021	47.4
97.02854	9.4
97.06501	2.6
97.10147	1.8
99.04456	1.5
101.09600	2.1
103.07552	1.5
107.04930	2.2
107.08573	56.9
109.02856	1.2
109.06483	6.7
109.10141	30.0
111.08057	24.9
114.36613	1.0
115.03902	2.7
117.07001	13.8
119.08582	1.6
120.08078	1.5
121.06461	4.2
125.09586	24.6
127.03931	2.2
135.04453	1.7
135.08025	59.0
136.08415	1.1
153.09082	100.0
155.07027	19.3
156.09290	1.6
157.08559	2.5
157.09770	1.5
159.11711	2.2
160.11844	1.2
163.07535	1.8
171.10136	48.3
172.12079	1.5
181.08554	18.0
199.09613	21.5
217.10684	36.4
234.98969	1.4
235.11707	39.5
247.06357	1.3
247.32295	1.1
252.08662	1.2
355.04776	4.8
414.19302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.0
53.03913	1.2
54.34019	0.7
54.51204	0.7
54.81473	0.8
55.01861	5.3
55.05500	1.9
57.03428	30.6
58.92304	0.9
59.04986	5.2
60.04506	4.1
61.02912	9.5
61.04257	0.8
64.95937	1.0
67.05474	2.3
69.03416	71.6
70.06563	2.4
71.01312	0.9
71.04958	4.8
73.02896	12.7
75.04440	4.8
79.05480	1.1
81.03384	8.5
81.07030	3.7
83.04945	4.3
85.02890	100.0
85.06529	41.5
86.09709	1.1
87.04451	45.1
91.03936	1.7
91.05444	0.9
92.09283	1.2
93.07024	1.1
95.04950	2.1
95.08652	1.2
97.02871	56.5
97.03502	2.1
97.06490	1.1
98.97569	1.6
99.04427	2.3
103.03897	1.4
103.07551	22.2
109.02861	5.6
109.06499	4.8
111.04384	1.7
113.05929	2.1
115.03912	46.0
123.04386	4.1
123.08044	1.6
127.03873	13.4
129.05478	1.4
133.04938	36.6
135.08014	4.2
145.04936	17.1
150.07599	3.8
151.07518	1.4
153.09085	5.1
163.06000	4.8
163.07346	1.4
163.30133	1.0
181.08560	5.1
199.09598	13.6
217.10718	4.6
223.05884	1.6
229.10648	5.6
235.11725	2.3
241.71716	1.1
246.84264	1.1
259.08203	1.6
265.12796	1.1
330.56351	0.9
433.42480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60767	0.4
53.80961	0.5
54.10856	0.5
64.55058	0.7
68.84501	0.6
74.47042	0.5
75.68635	0.6
81.07054	0.9
91.05448	1.0
92.09357	1.3
93.07047	0.7
105.07036	1.2
107.08578	0.9
109.47372	0.5
119.08570	0.8
121.10133	0.6
131.08563	0.7
145.10124	0.9
149.05695	0.6
159.11642	0.5
176.64883	0.6
189.57361	0.7
193.11993	23.1
395.29190	1.2
413.30185	100.0
414.30441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27085	0.9
53.00294	2.5
53.03917	1.2
55.01863	1.1
55.05508	66.1
55.22890	0.8
57.03178	1.3
57.03432	29.0
57.07070	61.1
67.05499	24.0
68.48676	0.9
69.03396	1.1
69.07059	86.5
71.04962	1.8
71.08617	27.5
73.06540	1.6
74.58799	0.9
79.05476	11.6
81.07043	32.8
83.04970	2.5
83.08610	49.9
85.06510	1.3
85.10172	12.6
91.05461	2.5
93.07037	18.6
95.08590	27.1
97.06516	9.6
97.10147	26.9
105.07016	1.9
107.08589	13.8
109.10163	13.2
111.08078	4.7
111.11691	6.2
117.06973	1.2
119.08513	2.4
121.06490	1.1
121.10133	11.6
123.11686	4.0
125.09586	4.4
133.10191	1.3
135.11671	10.5
137.13202	1.4
139.11137	1.4
143.08482	1.2
145.10115	1.8
149.13214	4.4
153.12750	1.2
163.14780	1.8
177.16325	1.5
181.15886	1.7
187.14764	1.2
191.18016	1.2
205.19611	1.4
216.11668	1.1
221.22406	1.2
232.89467	1.1
251.72675	1.0
300.50409	1.1
303.30417	2.2
321.31534	8.9
395.35016	12.3
413.30319	7.2
413.36142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.0
56.96554	2.9
57.03420	12.4
59.53343	1.4
61.02912	2.5
66.83707	1.5
69.03420	7.5
69.06709	2.6
69.07053	41.0
71.04976	50.1
73.02894	7.1
73.93190	1.3
75.04467	6.8
79.16647	1.2
81.07036	2.5
83.04968	9.7
83.08589	13.8
85.02889	100.0
87.08103	3.4
97.02887	8.9
97.06493	2.0
98.97584	9.5
101.09637	10.9
105.09129	2.4
109.02836	2.7
111.04448	3.3
112.61536	1.5
115.03957	1.7
116.98617	8.1
127.03899	7.1
129.05452	24.0
134.99661	2.2
143.00180	1.7
145.04935	2.2
146.99625	2.2
147.06500	8.1
161.01212	1.9
179.10544	1.4
215.12805	2.1
219.01776	2.1
237.02614	3.5
273.09515	1.6
309.11926	1.5
413.14072	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	413.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.07076	2.1
58.68818	0.8
62.52602	1.0
64.32935	1.0
65.67245	1.0
67.05494	6.2
69.07051	6.8
79.05466	6.5
80.02379	1.0
81.07050	9.0
83.08628	2.7
91.05477	2.8
92.09260	1.2
93.07028	13.1
95.04957	1.4
95.08594	5.1
102.80949	1.0
105.07028	7.3
107.08582	6.5
109.10130	4.1
109.44106	1.3
117.07001	1.9
119.08585	4.5
121.10130	2.4
131.08556	5.8
133.10159	2.5
135.11626	2.0
145.10048	1.6
147.07997	1.3
147.11681	1.6
151.07541	1.4
191.17979	1.2
217.11887	2.7
261.14594	100.0
277.14185	7.7
279.15530	1.3
310.00549	1.2
413.26080	5.9
413.30746	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	413.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38274	0.4
54.80814	0.4
55.05489	0.5
55.96374	0.4
67.05461	0.5
78.85674	0.4
79.05455	0.7
88.21303	0.4
91.05418	0.8
93.07010	1.9
95.08578	0.8
105.07019	0.9
107.08552	0.9
109.10088	0.7
111.69807	0.5
115.34437	0.4
117.06981	0.6
119.08569	0.6
121.10118	0.8
133.10075	1.0
144.37938	0.5
156.24193	0.5
193.11974	32.3
216.49982	0.5
277.14029	0.6
287.47272	0.5
308.55695	0.5
395.28772	0.6
410.69333	0.5
413.30087	100.0
414.30316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
62.50846	0.7
66.78725	0.6
67.05495	0.8
68.99787	0.7
72.81104	0.5
75.63719	0.6
79.05486	0.9
81.07034	1.4
89.13977	0.6
91.62162	0.5
93.07004	1.2
95.08639	0.7
96.23306	0.6
105.07024	2.5
107.08617	0.7
119.08598	0.8
127.11169	0.9
136.99655	0.7
145.10091	0.9
150.28136	0.6
175.14761	0.9
191.88943	0.7
193.11967	26.1
269.99731	0.7
413.30179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03928	5.7
54.26810	0.8
55.01851	6.6
55.05508	12.8
56.61743	0.9
57.07064	1.8
67.05491	15.3
69.03408	4.6
69.07050	7.6
71.04961	4.3
72.27992	0.8
74.09690	1.2
74.41675	0.8
79.05473	31.4
81.07037	33.6
83.04971	7.7
83.08614	2.0
85.02857	1.0
85.06528	2.4
91.05460	30.1
93.07024	100.0
95.04948	23.9
95.08588	13.0
97.02845	1.5
97.06510	4.3
99.04422	4.2
103.05434	1.6
105.04472	1.3
105.07009	20.7
107.04917	1.5
107.07869	2.2
107.08580	54.7
107.92628	0.9
109.06493	13.1
109.10126	9.0
111.04427	5.8
111.08063	14.4
117.06988	1.8
119.08537	6.8
121.06480	1.5
121.10098	5.8
123.08044	6.6
123.11698	2.4
125.09599	16.8
131.08521	4.7
133.06435	2.3
133.10072	8.3
135.08022	1.6
135.11668	62.6
137.09570	6.2
141.09048	1.9
143.08525	1.7
143.10626	5.4
145.10107	7.4
147.08017	1.2
149.09612	1.8
149.13303	1.4
151.07520	3.7
151.11119	7.2
153.09033	1.8
153.12718	1.1
154.09810	4.6
155.08531	1.0
157.10136	1.7
159.11601	2.1
169.08568	2.1
175.11218	1.2
177.12720	1.2
191.14070	1.2
201.16383	1.5
207.13692	1.9
225.14848	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	412.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71860	1.0
53.03936	2.5
55.01861	6.6
55.05505	10.6
57.03418	2.8
57.07051	1.7
67.05492	8.9
69.03423	1.7
69.07056	8.6
71.04960	7.2
77.03857	1.2
79.05483	27.0
81.07038	32.6
83.04974	10.2
83.08608	6.7
85.06516	6.1
91.05463	30.4
93.07027	75.4
95.04948	12.6
95.08583	14.7
97.06494	5.2
97.10098	1.5
100.51847	1.3
105.07018	19.4
107.04936	2.2
107.08583	91.4
109.06499	7.6
109.10149	9.1
111.08067	13.5
117.06983	3.0
119.08562	10.4
121.06487	6.9
121.10119	7.9
123.08041	5.7
123.11665	1.8
125.09612	100.0
127.07540	1.4
131.08542	3.2
133.06439	1.8
133.10098	7.8
135.08025	2.3
135.11688	21.8
137.09589	2.2
143.08598	1.6
145.10165	2.9
147.11664	3.1
149.09598	2.6
151.07520	6.1
151.11205	1.7
157.10063	2.3
159.11662	4.6
165.09068	1.5
165.12698	1.4
169.08577	1.9
171.11787	1.3
179.14294	2.4
187.21646	1.5
191.14468	1.3
192.07689	1.5
199.14771	1.8
201.16385	1.7
225.14827	12.7
335.07779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75825	0.6
53.03928	1.1
53.65044	0.7
55.01868	11.4
55.05511	5.3
57.03175	1.1
57.03431	19.9
59.04980	2.9
59.27715	0.6
61.02631	0.8
61.02916	12.9
67.05483	0.7
68.27739	0.6
69.03417	28.0
71.01324	4.0
71.04987	5.6
72.04504	0.8
73.02903	24.9
73.57778	0.6
76.56208	0.9
81.03416	7.0
81.07056	1.3
83.04946	0.8
83.08601	6.7
85.02895	100.0
86.32813	0.6
87.04467	5.3
91.03929	4.6
91.05448	0.6
93.07035	2.8
95.04919	0.8
97.02262	1.3
97.02875	35.3
99.04437	3.9
101.02338	1.0
103.03918	3.3
109.02876	8.9
111.08060	1.6
112.05884	0.7
115.03920	12.9
122.31000	0.8
125.09669	0.9
127.03897	19.8
132.06569	1.3
133.04933	13.8
139.07524	1.6
141.09102	1.3
145.03833	1.2
145.04948	29.2
150.07640	1.5
163.05997	10.5
167.10657	0.9
179.10777	0.7
183.10597	0.7
193.05064	0.6
209.11649	1.1
227.12773	1.2
241.07069	0.8
245.13783	1.4
256.98328	0.8
259.08081	2.8
263.14832	3.0
425.88733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36480	0.7
53.03920	0.9
55.01859	0.9
55.05500	1.6
57.03430	13.0
61.02907	2.9
64.33770	0.7
69.03423	1.8
69.07061	10.0
71.01315	1.2
71.04978	77.6
72.98534	0.8
73.02899	3.5
75.04449	4.7
79.05477	0.9
79.72805	0.7
81.03433	1.2
81.07030	3.8
83.04974	12.0
85.02893	100.0
85.06509	0.8
87.04431	3.2
92.08617	0.9
93.07010	1.2
97.02874	5.0
99.04430	1.8
101.05947	0.9
107.08614	1.0
111.04432	3.7
127.03893	5.1
129.05457	26.6
145.04906	1.9
147.06516	17.0
163.05963	4.4
164.09111	1.7
172.04930	0.8
240.84911	0.7
255.08771	1.5
264.48904	0.8
273.09482	2.8
309.11655	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	412.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75383	0.3
53.03930	1.9
55.01859	2.9
55.05504	4.3
57.03416	0.7
59.04967	0.3
65.03928	4.4
65.63070	0.4
67.05142	0.5
67.05492	13.3
69.03407	1.5
69.07055	2.9
71.04952	1.3
79.05470	14.6
79.56838	0.3
81.03397	0.5
81.07037	17.4
83.04968	2.4
83.08607	0.8
85.06518	0.9
91.05459	15.8
93.07023	28.6
95.04945	100.0
95.08595	3.8
97.06493	0.9
103.05435	3.1
104.06233	0.8
105.03360	0.6
105.04508	0.9
105.07011	10.6
106.07438	0.4
107.04945	2.1
107.08575	9.7
108.05775	0.5
109.06502	17.6
109.10128	3.3
111.04473	0.5
111.08071	7.7
115.05426	3.5
116.06219	1.6
117.06987	3.5
118.04147	3.0
119.04933	2.7
119.08585	4.5
121.06474	3.2
121.10129	1.9
123.08058	2.3
123.11718	0.8
124.05178	1.6
125.05991	0.6
125.09649	0.9
129.06993	0.7
131.04903	2.7
131.08549	2.7
132.05687	1.0
133.06474	5.3
133.10094	3.9
134.07237	1.9
135.04376	0.7
135.08035	2.5
135.11714	3.3
143.08531	0.7
145.10121	2.9
147.04408	3.2
147.08040	2.4
147.11679	1.6
148.05357	0.5
149.05995	1.0
149.09612	3.1
150.06726	1.6
151.07532	1.7
151.11197	0.6
157.10129	0.9
159.08020	0.5
159.11609	0.8
161.05933	4.0
161.13216	0.5
162.06726	1.6
163.03981	0.5
163.07552	0.5
163.11171	0.5
165.05453	0.7
165.09074	3.5
177.05458	1.9
177.09021	0.6
179.10641	0.9
190.03383	0.4
191.07011	0.8
191.10681	0.4
192.07782	11.9
193.08549	5.0
194.09381	0.9
195.13731	0.5
201.16383	0.4
207.10164	2.4
219.17381	0.4
226.61432	0.4
233.11722	0.7
410.47659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24413	3.1
67.05478	4.3
79.12647	3.0
81.05124	3.5
81.07022	5.9
91.05449	3.9
93.07008	7.1
95.08591	6.7
95.31754	3.6
119.02783	4.0
135.11620	4.4
159.11649	3.5
177.08859	5.0
187.86237	3.7
225.61140	3.3
237.44754	4.0
275.16150	100.0
355.22641	7.2
408.99622	3.4
411.28452	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	412.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
54.81615	0.2
55.01841	0.2
55.05508	1.2
57.03427	1.5
65.03912	0.2
67.05475	0.2
67.08397	0.1
69.03397	0.2
69.07082	0.2
70.26299	0.1
75.04462	0.3
75.08611	0.2
78.55630	0.1
79.05484	0.4
81.07024	0.3
83.04951	0.4
85.02888	0.8
91.05445	1.0
93.03367	0.3
94.04150	1.2
95.04928	0.4
97.02891	0.2
105.07049	0.3
107.04932	0.3
110.03656	0.3
111.04453	0.3
119.04938	0.4
119.08539	0.2
121.06487	1.9
122.03629	4.8
123.04445	0.3
124.05113	0.2
125.05963	1.8
132.94566	0.2
133.10126	0.2
135.04399	0.2
137.05954	100.0
138.06281	0.8
139.03867	0.2
146.03511	0.2
147.04376	0.4
149.05957	2.3
149.57106	0.2
151.07530	1.7
153.06979	1.3
161.05972	0.4
165.06999	0.8
167.08525	0.2
169.06464	0.2
179.07024	0.3
181.03496	0.2
181.06448	3.5
182.07227	0.3
193.06514	0.2
195.08084	0.6
195.31117	0.2
197.05957	0.6
197.11681	1.3
198.06750	0.7
199.09683	0.8
206.00951	0.2
207.04401	0.4
209.05989	1.1
210.06691	0.3
211.07555	1.0
211.09636	4.1
213.09084	2.9
221.05991	0.3
225.05513	0.2
225.09006	1.2
226.06216	0.2
238.06183	0.3
239.06929	0.3
241.08498	2.8
253.08513	1.9
258.08795	5.6
270.08688	0.2
271.09546	0.7
272.10367	10.2
273.11145	5.9
284.10266	0.2
285.11133	1.5
311.12680	0.4
329.13708	0.2
347.14813	7.5
351.02267	0.2
359.14914	1.0
389.48474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
58.51173	0.2
60.16703	0.1
65.03921	0.2
65.98549	0.2
69.03401	0.3
75.04451	0.7
78.70759	0.1
79.05460	0.2
80.50967	0.2
80.79665	0.2
81.07027	0.2
85.02888	0.4
91.05461	0.9
92.08711	0.3
93.03381	0.4
94.04176	1.5
95.04972	0.2
95.08576	0.2
107.04937	0.7
110.03662	1.5
111.04420	0.9
119.04925	0.8
121.06470	1.3
122.03622	5.5
122.04525	0.2
123.04393	0.2
125.05955	3.4
137.05951	100.0
138.06349	0.3
139.03860	0.3
147.04396	0.7
149.05963	2.7
151.07486	1.7
152.06210	0.2
153.06956	2.0
158.57712	0.2
161.05923	0.4
163.07655	0.2
165.06955	0.4
165.17738	0.2
167.08540	0.2
169.06387	0.4
175.07620	0.3
177.09103	0.2
177.81487	0.2
179.07042	0.3
181.06451	3.2
182.07254	0.2
192.25089	0.2
193.06377	0.6
195.08040	0.7
197.06044	0.9
198.06746	0.3
199.09567	1.2
207.04362	0.3
207.84137	0.2
209.05925	1.3
210.06671	0.2
211.07562	0.9
211.09631	3.5
213.09094	2.5
221.06012	0.2
223.07446	0.3
225.05533	0.3
225.09076	1.2
229.08649	0.2
239.07019	0.7
241.08519	3.1
253.08481	1.7
255.10158	0.3
258.06326	0.3
258.08804	5.8
258.11328	0.3
269.08121	0.2
271.09592	1.2
272.10349	9.7
272.13306	0.3
273.11166	6.5
285.11154	2.1
311.12772	0.3
314.11484	0.2
329.13864	0.3
337.15915	0.2
347.14789	7.4
359.14752	1.5
360.87503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1986
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.21389	0.4
55.05504	1.0
59.12847	0.4
67.05485	0.7
69.03410	1.8
69.07062	0.7
71.04980	0.5
79.05481	0.6
81.03404	0.4
81.07050	1.0
83.04962	2.1
83.08644	0.4
84.85390	0.5
85.02850	1.9
85.06535	0.6
93.07022	0.9
93.60956	0.4
95.04950	0.7
95.08584	0.9
105.03363	0.6
105.07006	0.8
107.08578	1.0
109.10104	0.9
117.06959	0.5
119.08533	0.7
121.06509	0.7
121.10155	0.6
143.22211	0.6
151.11125	0.9
163.07536	0.9
167.14299	2.2
203.05264	0.8
209.15364	1.0
213.18481	0.5
231.13603	2.2
249.11154	1.0
249.14661	2.8
411.19815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05500	3.5
56.96560	0.5
57.03418	0.9
57.92464	0.4
59.04974	0.6
62.37664	0.4
67.05484	1.1
68.44051	0.4
69.03405	0.9
69.07057	7.2
69.53105	0.4
70.07391	0.5
71.04971	2.3
79.05478	1.0
81.07049	4.2
83.04951	3.9
83.08598	2.2
83.36036	0.4
85.02885	1.2
85.06541	3.3
91.05457	0.6
93.07026	3.0
95.04960	0.6
95.08591	5.4
96.08918	0.7
97.06477	0.7
97.10200	1.4
99.08078	2.6
105.07001	0.5
107.08538	3.8
109.10161	3.4
111.11752	0.5
121.10132	6.4
122.10477	0.9
123.11684	2.3
125.09610	0.7
133.10133	0.7
135.11693	3.4
136.11974	0.6
137.13231	2.7
139.11140	1.0
149.13306	0.5
151.11176	1.0
153.12735	0.7
167.14291	2.7
169.33392	0.5
177.16338	7.0
178.16762	3.1
195.17473	2.3
196.17809	0.6
200.35204	0.6
203.05128	0.7
209.15366	3.2
213.18454	11.0
214.18756	3.8
225.36098	0.5
231.13606	2.9
241.96103	0.5
249.14662	3.1
344.56418	0.5
375.24033	0.9
376.24164	0.8
411.19818	100.0
421.74438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96676	0.6
55.01881	0.9
55.05500	5.1
56.96540	0.7
57.03425	1.6
57.07070	7.8
61.02926	1.7
67.05495	16.5
69.03419	4.1
69.07054	5.7
70.82172	0.6
71.04974	11.1
75.29571	0.6
79.05479	27.2
79.59398	0.6
81.03391	0.9
81.07044	17.9
83.04969	5.3
83.08626	1.5
83.15044	0.8
85.02901	5.1
85.06551	1.6
91.05456	10.5
93.07024	44.8
95.04971	1.7
95.08592	10.6
97.06517	6.7
97.10298	0.8
98.97585	3.7
99.04411	1.1
99.08076	1.0
102.07141	0.8
105.07024	4.0
106.40818	0.8
107.04950	0.9
107.08582	24.6
109.06535	1.3
109.10146	1.0
111.08031	1.1
116.98578	1.1
117.07018	3.4
119.08558	2.6
121.06499	1.3
121.10126	4.3
123.11683	3.7
125.05981	6.8
127.03933	0.9
131.08577	4.0
133.06512	0.7
133.10117	19.7
133.11038	1.2
135.08110	1.4
135.11673	100.0
139.07480	6.1
147.09100	7.9
149.09601	1.1
149.13245	12.4
151.11177	3.5
153.09096	3.7
153.12758	1.5
159.11656	5.8
177.00658	0.9
177.12729	8.6
183.13834	0.8
191.08136	7.1
195.13759	7.8
213.14838	52.1
223.65912	0.9
231.15846	8.7
249.16965	9.4
281.14877	3.7
325.13678	5.7
358.44513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01876	2.5
55.05508	8.8
57.03405	1.3
57.07071	2.1
59.04984	1.8
67.05493	10.1
69.03403	4.8
69.07047	9.8
69.37459	1.1
71.04985	2.4
76.25159	1.1
79.05475	34.2
81.03464	1.2
81.07040	30.4
83.04966	6.4
83.08602	1.6
85.06520	1.3
89.31798	1.0
91.05453	25.6
93.07020	89.8
95.04948	12.3
95.08578	14.6
97.06503	5.9
99.04456	1.9
100.27343	1.2
105.07006	27.4
107.04973	2.1
107.08569	59.4
109.06498	9.2
109.10134	4.7
111.08084	9.4
112.13271	1.2
117.06960	9.4
119.08565	28.9
121.06501	8.1
121.10119	13.4
123.08057	5.5
123.11691	4.7
125.09632	1.5
128.06152	1.9
129.07002	4.9
131.08530	23.2
133.06441	1.3
133.10118	15.3
135.08060	14.1
135.11662	100.0
135.78772	1.3
137.05975	1.4
137.09558	1.8
141.09084	1.9
143.08546	5.3
144.09337	8.4
145.10081	10.7
147.08003	6.2
147.11664	2.8
149.09624	10.3
149.13219	7.1
157.08844	1.1
157.10115	7.6
159.11664	81.1
161.09589	1.8
163.07547	2.5
163.11182	5.8
173.09590	1.2
177.12709	90.2
179.10611	1.3
187.11192	1.7
189.12665	2.2
199.14796	2.0
201.16383	1.3
202.28314	1.1
205.12204	68.3
223.13261	11.5
315.19382	2.0
375.25577	1.4
410.33322	1.6
434.58826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01880	0.9
55.05500	4.9
59.04975	0.8
67.05486	6.9
69.03421	4.1
69.07055	3.7
71.04973	2.2
79.05478	10.0
81.07037	14.0
81.86888	1.0
83.04958	9.1
83.08604	5.7
85.06527	1.0
87.04457	1.1
91.05467	11.4
93.07021	29.9
95.04951	7.3
95.08581	10.8
96.65645	0.8
97.06508	3.4
101.44612	0.9
105.07020	17.0
107.08578	100.0
109.06509	5.5
109.10130	6.3
111.08079	3.5
119.08530	7.7
121.06482	1.8
121.10134	5.7
123.08054	5.1
123.11633	1.7
125.09604	99.9
131.08553	3.8
133.10164	8.5
135.08060	1.1
135.11665	12.9
139.07550	8.4
143.08557	1.5
145.10104	10.2
147.08090	1.3
147.11681	4.9
149.09637	1.7
153.09074	2.0
157.10092	1.9
159.10260	1.7
159.11671	4.8
161.09648	1.1
163.11227	0.9
165.09090	1.6
165.12697	1.8
169.22284	0.8
175.11154	1.9
177.12708	1.5
187.14740	1.0
195.13741	4.3
201.16356	4.9
207.13881	1.0
223.13367	1.2
251.76355	0.9
275.25180	0.9
356.39423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81850	0.9
55.01863	5.6
55.05489	1.0
57.03414	0.8
62.65702	0.9
67.05495	8.0
67.60896	0.9
68.51344	0.8
69.03415	7.2
69.07062	10.1
71.04974	1.6
79.05474	10.0
81.03401	0.9
81.07037	5.3
83.01319	4.7
83.04945	1.9
85.02893	9.4
87.30402	0.8
91.05455	5.6
93.07014	3.8
95.04956	1.2
95.08579	1.2
97.02867	6.4
97.06512	16.2
99.04411	5.2
105.07001	1.8
107.04955	1.2
107.08578	64.5
109.06487	5.8
109.10146	40.8
111.04419	6.0
115.05448	1.1
117.06981	7.9
123.04424	1.9
125.05990	13.6
125.09602	5.6
127.03912	1.3
135.08035	100.0
137.09598	17.6
153.09077	31.1
163.07513	90.1
181.08557	35.0
188.09729	1.1
199.09627	74.2
213.11185	8.3
231.12271	16.0
285.12738	1.2
411.19669	1.1
433.54446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13307	0.2
52.46192	0.2
55.05501	0.4
57.03422	0.3
61.02897	0.2
65.84319	0.2
69.03407	1.2
69.07048	1.6
71.04985	1.2
73.02892	0.9
76.56619	0.3
79.05464	0.4
81.03394	0.4
83.04978	0.4
85.02895	2.0
86.09694	100.0
91.05497	0.3
95.04942	1.2
97.02885	1.3
98.97565	0.3
99.04448	1.0
100.84515	0.2
101.05979	0.5
107.04963	1.6
117.03380	0.4
117.05475	1.4
123.04441	1.4
123.05566	0.2
123.14879	0.2
127.03925	0.3
129.05478	0.2
132.10185	43.5
133.02835	3.1
135.04407	3.0
137.05975	0.6
138.03149	0.3
140.07066	1.9
145.02861	0.6
147.06555	0.5
149.05988	1.1
151.03928	1.2
153.05469	5.3
163.03876	8.5
165.05457	0.5
167.07112	0.3
177.05496	1.8
180.04187	0.6
183.06514	4.5
195.06506	4.3
213.07599	1.7
218.08508	0.2
249.96213	0.3
278.06961	0.4
300.23758	0.3
328.36893	0.3
332.03833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98381	0.2
60.31182	0.2
62.89563	0.3
67.05503	0.3
71.04987	0.4
81.07036	0.5
82.91703	0.3
85.06513	0.4
93.07052	0.8
93.07563	0.3
95.04990	0.2
98.95991	0.3
105.07010	0.5
107.08545	0.6
119.08544	0.5
121.10155	0.3
125.09612	0.3
133.10146	0.5
151.11165	0.3
189.12070	0.3
199.94006	0.3
207.58327	0.3
207.88885	0.3
211.13246	0.4
229.12050	0.6
247.13020	1.9
285.09421	1.5
307.00186	0.3
391.83456	0.3
409.18253	100.0
410.18600	0.5
421.18875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50094	0.7
55.01881	1.0
60.33987	0.8
61.82063	0.7
69.03422	1.6
69.07053	1.7
69.80175	0.8
79.05469	7.5
81.07037	5.3
85.02888	2.1
85.06528	6.1
88.13844	0.8
91.05463	7.9
92.09308	1.1
93.07024	4.7
94.04202	3.1
95.04901	0.9
103.05449	1.5
107.04926	4.0
107.08585	15.7
109.06487	1.9
109.10132	2.2
111.04433	1.4
115.05425	2.2
117.06993	2.2
119.04922	16.5
121.10131	2.3
121.72514	1.0
122.03612	8.1
125.05975	1.7
131.04881	3.6
133.02882	3.1
135.04416	1.8
135.08046	16.4
135.11691	1.9
137.05960	100.0
143.04890	1.3
145.06480	5.5
147.04395	65.8
149.05948	5.5
149.13358	1.2
151.03882	2.3
153.09126	6.5
153.12744	1.0
160.05148	8.8
163.07501	28.5
165.05431	4.8
167.07022	3.5
167.63432	0.9
173.05913	1.0
175.07491	23.3
177.05444	1.4
177.09087	1.5
179.07021	6.6
181.08601	5.2
187.07533	2.0
191.07101	6.7
191.08551	2.0
195.10001	1.2
195.13725	1.9
199.09578	10.3
203.07002	16.1
213.14975	2.0
217.06374	1.3
218.07208	1.1
219.08047	5.8
221.08009	4.3
231.12195	1.5
231.15836	1.3
233.08015	1.2
234.06784	5.2
240.07768	1.3
245.05965	1.3
247.07457	1.8
249.08986	7.7
251.08868	1.4
256.07373	1.0
261.08990	5.2
262.06158	2.0
263.07034	2.0
265.08496	3.9
271.09683	2.0
277.08557	17.1
278.09460	1.3
279.10107	5.8
281.07938	1.1
283.09683	2.3
289.08414	1.8
297.11292	3.7
307.09622	4.6
309.07684	1.7
309.11127	18.6
311.12802	7.3
321.11111	6.2
339.12204	14.0
357.13318	2.2
384.90494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05488	0.7
62.07489	0.4
69.07039	0.4
72.37897	0.4
93.06987	0.5
94.07335	0.5
95.04957	0.8
99.08095	0.5
111.57397	0.4
121.10091	2.2
137.05937	1.8
151.03911	1.7
191.08101	0.6
196.10030	0.5
197.07108	0.7
198.07864	2.0
199.08653	2.9
200.09390	2.8
201.10161	0.4
210.07796	0.6
211.08617	7.1
212.09407	2.6
213.06677	0.7
213.10158	5.8
215.08173	0.7
215.11768	2.3
217.09660	4.5
223.12282	1.0
224.09389	0.9
225.06664	0.9
225.10150	8.7
226.07497	0.5
226.10997	1.0
227.08058	2.1
228.09010	0.5
229.09669	6.1
231.11276	2.7
236.09412	0.5
238.07434	0.8
239.08099	12.8
239.11707	8.4
240.08875	6.7
241.09669	12.1
241.13321	0.9
242.10414	2.3
243.07570	3.4
243.11198	14.0
249.10280	0.5
251.11670	0.7
252.08853	2.2
253.09668	14.7
254.10411	1.7
257.09149	7.8
257.12857	2.9
258.09973	2.1
259.10718	5.7
267.07651	4.7
267.11227	10.2
268.08347	13.6
269.09079	1.9
269.12720	1.1
271.10712	51.0
272.11206	0.7
273.12292	3.1
275.10165	4.0
277.11768	6.8
280.08499	0.5
281.09128	3.6
282.09616	0.6
285.08664	3.4
285.12292	10.1
289.11731	3.8
295.10712	7.9
297.12225	1.1
299.13724	0.8
300.11050	2.6
303.09781	1.0
303.13092	1.3
313.11783	12.9
317.11261	3.6
318.11880	0.8
323.10193	13.2
326.09045	0.5
327.13477	3.0
329.15039	0.7
331.12918	1.0
335.12335	6.0
341.11243	25.8
345.14597	3.0
347.16003	0.7
349.14047	1.5
355.12845	6.3
359.12173	4.5
364.29974	0.5
373.13858	25.4
391.14929	27.0
409.15945	100.0
410.16354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42083	0.5
53.17580	0.5
55.05487	0.9
55.79531	0.5
59.60996	0.5
67.05490	1.3
69.03399	3.6
69.07052	0.9
71.04948	2.1
81.07034	3.3
83.04971	0.7
85.02876	2.9
91.05433	2.1
93.07018	2.7
95.04942	1.3
95.08588	2.6
97.02849	0.6
97.06507	2.2
99.04427	0.7
105.06998	2.9
106.99985	0.6
107.08605	2.9
109.06489	0.9
109.10153	0.9
111.08096	0.6
119.08541	3.5
121.10056	0.7
125.09603	8.9
127.07522	1.1
133.10130	5.1
134.10428	0.7
135.11707	1.0
137.09557	0.8
149.09654	0.7
150.49480	0.6
175.14882	0.9
177.12798	0.6
186.81889	0.7
193.12131	0.8
201.67032	0.6
211.13252	1.0
211.16928	2.9
229.17810	1.1
338.55896	0.7
409.18256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
57.03421	1.2
61.15499	0.6
73.02907	1.8
74.82151	0.6
76.55699	0.6
79.05464	1.3
79.33128	0.6
81.06989	0.7
82.33501	0.8
85.02869	1.3
91.05469	1.1
95.04964	1.3
98.97573	0.7
100.12870	0.6
107.04922	1.5
110.03636	0.9
119.08580	2.7
123.04437	1.4
124.97624	0.7
125.05993	3.3
138.05498	3.7
149.05960	1.4
151.03897	3.7
151.05014	0.8
165.05415	1.2
165.09132	1.0
170.02719	2.9
177.05502	0.7
182.32059	0.8
185.04144	6.0
189.78526	0.7
193.08595	1.2
213.07587	1.3
214.05223	1.0
230.10995	0.8
246.05087	1.4
247.05801	3.7
260.05835	1.0
409.10986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71482	0.7
55.05497	5.9
57.07056	5.4
63.23869	0.8
67.05502	10.8
69.07054	14.0
71.08627	0.8
77.95767	0.9
79.05476	10.1
79.36141	0.9
81.07038	31.9
83.08587	4.3
85.08946	0.9
89.06015	32.6
91.05473	9.6
93.07024	33.3
95.08584	33.2
97.10120	0.9
105.07011	44.5
107.08584	26.8
109.06488	1.5
109.10141	30.9
117.06988	1.3
119.08562	61.1
121.06451	1.2
121.08500	0.9
121.10152	16.0
123.11691	17.2
131.08533	2.0
133.08580	9.1
133.10106	33.1
135.08035	1.2
135.11662	17.3
137.09604	1.2
145.10100	4.1
147.11665	53.4
151.09595	1.6
159.11737	1.5
160.12448	1.4
161.13239	14.3
161.55624	1.0
163.11200	1.1
163.14755	1.1
171.41255	0.9
175.14769	4.4
177.11259	1.0
177.16319	1.4
183.34488	1.1
195.12248	21.3
201.16301	1.3
203.17928	100.0
205.19585	1.1
219.17407	1.7
221.18985	10.5
337.28525	1.3
355.29938	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	408.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48851	0.6
51.35616	0.7
53.35060	0.7
54.82143	0.9
55.05497	4.4
57.07056	5.6
59.71788	0.8
62.73693	0.7
67.05486	14.2
69.07051	16.7
69.64217	0.8
71.04958	1.9
71.08605	1.2
79.05476	10.4
81.07037	32.4
82.07370	1.1
83.08608	6.9
85.10154	1.7
87.04443	1.6
88.83867	0.9
89.06010	35.1
91.05453	12.6
93.07018	30.8
95.04942	2.0
95.08584	44.4
97.06480	1.3
97.10130	1.5
105.07011	44.4
107.08581	23.5
109.06504	1.3
109.10140	44.5
111.08067	12.2
119.08559	61.5
121.10108	16.3
123.11676	13.2
126.10362	4.6
127.11179	8.1
131.08507	1.4
133.08607	9.7
133.10101	26.6
135.11670	10.2
137.09586	4.4
137.13351	1.0
145.10089	2.1
147.11665	46.3
147.93147	0.8
151.09747	1.0
155.10617	12.1
160.12399	1.5
161.13223	14.2
163.14764	1.0
165.12712	1.2
170.37109	0.9
175.14743	1.9
177.11227	1.8
195.12239	27.2
203.17920	100.0
204.18367	1.1
211.62352	0.8
221.18991	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	408.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.4
53.03939	1.2
54.81720	1.0
55.05501	5.7
57.07061	6.6
59.04959	0.9
67.05257	0.7
67.05501	12.0
69.07056	18.7
71.04975	1.6
71.08598	1.8
79.05475	17.0
81.07037	23.3
83.04916	1.4
83.08597	5.4
85.10217	1.0
86.30836	0.9
89.06013	32.8
91.05457	15.4
93.07022	46.8
95.04942	5.4
95.08588	22.0
97.06523	5.1
97.10147	1.5
97.29126	0.8
103.47630	1.0
105.07012	73.9
106.07353	1.3
107.07023	1.5
107.08578	33.6
109.06513	2.1
109.10142	23.6
111.08062	2.2
117.07008	1.6
119.08558	100.0
121.10115	15.8
123.11673	10.7
133.08618	7.9
133.10104	21.9
135.08078	1.5
135.11661	21.3
137.09558	1.5
137.13242	1.6
143.08487	1.0
145.10103	3.6
147.11662	31.2
149.13274	5.7
153.12735	4.2
159.11658	1.3
161.13249	11.2
162.96184	1.0
163.11148	1.0
163.14832	1.0
165.12624	1.7
167.20924	1.0
173.77892	1.0
177.11189	1.6
177.16353	2.4
195.12221	24.6
198.66234	1.0
201.16414	1.2
203.17928	65.5
219.17471	4.5
221.19006	22.1
221.20985	1.8
223.16945	1.5
257.34360	1.1
355.29828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99982	0.9
53.03954	1.3
54.82145	1.4
55.05501	7.5
57.07058	5.4
59.04972	4.6
63.91710	1.0
65.79876	1.1
67.05494	14.6
69.07050	15.7
71.08588	1.3
74.30811	1.0
79.05475	13.5
81.01868	1.2
81.07038	23.2
83.04971	1.2
83.08614	4.1
85.10142	1.1
86.01338	0.9
89.06016	33.6
91.05449	16.6
93.07022	81.0
95.04929	5.1
95.08585	50.5
95.09198	1.3
97.06501	1.4
105.07017	53.9
106.88305	1.1
107.07038	2.5
107.08588	21.0
109.10139	39.3
111.08104	7.6
117.06974	1.8
119.08557	51.7
121.10120	100.0
123.11669	10.0
126.10384	2.2
127.11147	5.0
131.08548	1.3
133.08598	9.7
133.10095	19.7
135.11702	7.1
137.09659	3.4
145.10066	4.6
147.11656	35.8
155.10611	11.4
159.11610	1.3
161.13246	11.9
165.12804	1.3
175.14810	1.3
177.11247	1.2
195.12257	23.1
203.17928	66.1
206.87796	1.0
219.17421	11.1
221.18999	4.5
223.16882	1.5
250.17685	1.1
391.34055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
53.19209	0.9
54.81079	1.0
55.05493	6.1
57.07049	2.1
58.03324	0.9
67.05489	7.5
69.07056	11.5
71.04973	4.3
73.36918	1.1
75.18921	0.9
79.05473	46.8
81.06597	1.5
81.07037	26.7
83.08591	4.6
89.05975	2.1
91.05461	15.4
93.07021	96.1
95.04942	5.7
95.08591	18.4
97.06481	1.3
99.04436	1.5
105.07012	19.7
107.08578	62.7
109.10140	16.6
119.08561	20.2
121.10160	7.6
123.11684	6.2
131.08536	1.8
133.10101	14.7
135.08063	1.5
135.11665	100.0
137.09607	4.3
137.13205	2.3
145.10115	4.9
146.02527	1.0
147.11659	15.4
149.02301	1.7
149.13304	1.5
153.12695	8.1
161.13235	6.2
175.14821	2.0
177.16446	1.1
195.12166	2.0
201.16466	1.3
203.17923	34.1
221.18954	7.2
239.28412	1.2
243.85054	1.2
262.73767	1.1
337.28964	1.5
355.29892	4.8
373.31158	1.7
409.26770	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.0
53.03935	1.5
55.05507	11.5
57.07062	6.9
59.04996	1.8
63.13475	0.9
67.05492	23.2
69.07055	29.8
71.04994	1.7
71.08620	1.8
72.90311	1.1
79.05470	15.5
81.07038	38.5
83.08611	10.0
87.04449	4.3
89.06014	43.2
91.05469	20.9
93.07021	55.4
95.04949	7.5
95.08583	74.9
97.06517	6.5
97.10117	1.1
105.07015	74.3
107.07033	5.0
107.08580	39.3
108.08949	1.5
109.06509	2.4
109.10143	88.3
111.08057	26.0
115.31345	1.3
117.07030	4.9
117.11599	1.1
119.08559	79.7
121.06451	2.0
121.10127	24.3
123.11677	18.1
125.09605	1.2
126.10403	10.5
127.11159	12.6
131.08575	5.6
133.08618	13.6
133.10101	36.7
133.11029	1.9
135.08043	1.6
135.11703	20.1
137.09644	6.5
137.13216	2.2
144.13783	1.5
145.10141	4.5
147.11668	51.3
147.79034	1.1
149.13304	2.2
151.09691	1.2
151.11119	1.5
155.10645	31.8
159.11699	2.4
161.13206	19.9
165.30402	1.1
175.14833	2.7
189.13602	1.8
195.12239	35.2
201.16296	1.2
203.17931	100.0
219.17407	4.0
221.18974	16.2
224.41388	1.3
434.92404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27833	2.1
53.03234	2.5
55.05501	19.1
55.09378	2.0
56.96555	2.1
57.03421	5.3
58.78246	2.2
59.04982	4.9
61.02897	3.4
67.05497	20.0
69.03398	11.9
69.07061	42.6
71.04984	25.1
72.98858	2.5
74.02409	3.2
79.05468	11.1
81.07034	40.4
83.08600	22.3
85.02888	33.5
85.06515	11.5
86.09686	3.7
91.05455	16.2
93.07018	38.4
95.04932	9.8
95.08588	71.9
97.02852	3.7
97.06516	28.2
97.10118	2.5
99.04416	13.5
101.75128	2.5
105.07024	24.3
107.08582	61.3
109.06515	23.4
109.10138	100.0
111.08026	4.7
115.07552	16.6
119.08577	41.9
121.10107	33.1
123.08016	18.7
123.11706	19.4
125.80130	2.5
127.11125	4.6
133.09184	4.4
133.10115	84.7
135.07983	3.6
135.11671	77.5
137.09627	12.3
145.04897	3.5
147.11670	9.1
149.13216	21.8
151.11115	4.7
153.12717	4.7
163.11021	2.9
165.90414	2.8
175.14777	76.8
177.16330	50.4
193.12363	2.8
193.14114	3.0
193.15860	75.1
209.15399	3.4
211.13391	5.4
211.16936	90.7
221.83598	2.8
257.40823	2.8
373.21207	3.0
429.99667	2.7
432.78976	3.1
434.78571	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	408.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79473	0.8
53.03948	0.9
54.81661	0.8
55.05502	6.6
57.07071	10.6
59.04992	1.7
67.05489	13.0
69.07055	15.3
71.04984	1.5
71.08616	8.1
73.06517	1.1
79.05473	11.2
81.07037	25.0
83.08604	3.9
85.10162	2.1
87.04440	1.4
89.06006	41.3
91.05460	18.2
93.07021	89.3
95.04941	4.0
95.08580	49.5
95.09193	1.4
97.06495	1.8
105.07011	54.4
107.07055	1.4
107.08563	22.5
109.10131	39.8
111.08080	11.2
117.06969	1.7
119.08552	52.4
121.10118	100.0
123.08038	0.9
123.11685	7.1
125.09674	1.0
125.35160	1.0
126.10370	3.8
127.11186	4.7
131.08533	1.9
133.08571	10.3
133.10092	23.8
133.11038	1.4
135.07971	1.1
135.11655	10.9
137.09615	1.3
145.10077	1.7
147.11659	31.8
155.10654	10.1
159.11696	1.1
161.13205	9.8
163.14764	1.1
165.48328	1.1
175.14792	1.7
177.11198	1.8
181.26828	1.0
195.12256	23.9
200.01819	0.9
203.17917	58.7
209.15387	1.0
219.17415	11.9
221.19020	6.7
271.63275	1.0
315.57214	0.9
391.34167	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	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05510	13.2
57.03416	1.3
57.07039	1.5
59.04985	2.7
61.02917	2.8
67.05500	13.3
69.03423	3.6
69.07058	42.5
70.70536	1.7
71.04979	17.5
73.02876	1.6
79.05471	10.0
80.81047	1.5
81.03407	1.8
81.07041	27.4
83.08195	1.8
83.08597	16.5
85.02883	18.3
85.06516	8.6
87.31336	1.4
91.05447	6.6
93.07025	31.3
95.04951	2.6
95.08588	54.6
97.02876	6.7
97.06506	19.1
97.10140	1.8
99.04452	14.3
99.08080	3.2
105.07003	11.0
107.08588	47.0
109.06504	19.0
109.10144	100.0
111.08047	3.4
115.07554	11.8
119.08565	34.0
121.10145	30.3
121.23689	1.8
123.08062	12.6
123.11685	17.5
125.09616	2.8
127.11182	12.7
133.10117	60.9
135.11679	73.3
135.77341	1.5
137.09581	10.6
145.04970	3.1
147.11679	6.7
149.13239	18.8
153.12735	10.3
165.12723	2.5
170.24187	1.5
175.14790	83.9
177.16357	68.7
187.02000	1.6
190.26494	1.8
193.15858	64.4
193.17516	3.0
211.16919	93.3
272.08185	1.9
319.41031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48652	0.6
53.03931	0.6
54.81848	0.8
55.01859	1.2
55.05503	3.8
56.96556	0.7
57.03430	1.6
57.07048	0.8
59.04975	0.8
59.29030	0.7
59.68529	0.8
61.02915	1.1
64.78493	0.6
67.05486	4.9
69.03414	4.4
69.07053	10.6
71.04979	34.6
79.05462	1.7
81.03413	1.5
81.07046	10.3
83.04955	3.4
83.08604	3.6
85.02893	10.0
85.06523	4.1
91.05466	6.3
93.07027	13.9
95.03164	0.7
95.04970	1.5
95.08585	20.0
96.08926	1.5
97.02888	1.0
97.06531	6.2
97.10190	1.0
98.97591	0.9
99.04439	89.0
99.08099	1.3
101.20119	0.8
105.07014	4.2
107.04955	5.4
107.08568	16.2
108.08942	1.0
109.06511	2.9
109.10140	13.8
111.08028	1.0
112.08442	0.8
113.09611	10.3
115.07539	4.6
119.04913	1.9
119.08562	8.0
121.10160	6.6
122.10444	0.8
123.08082	1.8
123.11673	5.8
125.09612	6.5
133.10098	11.0
135.04401	3.6
135.11681	34.3
137.05974	1.8
137.09604	3.1
139.07526	1.8
139.11154	3.6
141.09093	1.8
141.12729	3.4
149.13237	5.1
151.11217	1.5
151.14798	4.6
153.12738	5.1
154.12979	1.0
157.08582	0.9
158.09006	0.7
169.15800	1.1
175.14767	13.3
181.08508	1.0
193.12148	0.9
193.15802	7.2
210.15677	1.0
211.16916	100.0
215.03880	0.8
227.16447	1.5
228.16736	1.2
229.08513	7.0
254.08704	0.8
297.85944	0.8
303.75970	0.8
305.71490	0.8
408.16956	1.3
423.40878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29760	0.4
55.05489	3.4
56.96527	0.5
57.03406	0.8
57.07047	0.5
58.77945	0.4
59.04972	0.5
61.02907	0.9
67.05468	2.4
68.83315	0.4
69.03400	2.4
69.07045	3.5
71.04957	3.1
72.04716	0.5
73.02887	0.4
78.77202	0.4
79.05445	1.8
81.03384	0.8
81.07029	12.4
83.04958	11.9
83.08576	2.8
85.02889	6.3
85.06513	2.1
91.05469	3.7
93.07014	7.8
94.97989	0.5
95.04948	3.5
95.08571	5.3
97.02872	2.1
97.06502	1.0
98.97563	0.7
99.04429	1.2
99.57491	0.5
105.07012	19.8
107.08572	11.2
109.02885	1.8
109.06485	6.6
109.10115	2.5
111.08052	0.6
119.08546	9.2
120.40801	0.5
121.06589	0.6
121.10115	13.6
123.08019	1.9
123.11684	12.3
127.03889	0.5
127.07526	1.1
131.08429	0.5
133.06517	0.5
133.10074	3.0
135.11661	2.6
136.62534	0.6
137.05939	1.1
137.13216	1.0
143.46220	0.5
145.10062	0.8
147.11661	72.1
149.09587	6.6
151.11147	1.9
153.12711	1.0
153.49107	0.5
157.10049	0.6
165.12711	62.2
175.11147	6.9
175.14903	0.6
177.80603	0.5
183.13712	1.9
193.12199	57.9
211.13257	3.4
211.16878	4.8
229.14301	100.0
230.14545	0.6
412.78937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49363	0.2
53.03920	0.3
55.01865	0.5
55.05500	0.7
57.03414	0.4
60.10736	0.2
61.02921	0.5
63.43791	0.2
65.03886	0.3
67.05483	1.8
69.03419	1.9
79.05481	0.6
81.03382	1.1
81.07027	1.9
83.04964	0.4
84.04482	0.4
85.02886	3.4
86.09694	0.5
91.05452	4.9
93.07026	1.4
93.33343	0.2
95.08591	1.0
95.91309	0.3
97.02865	1.5
99.04427	0.3
105.07013	0.5
107.08579	0.4
109.06516	1.2
109.10136	4.8
117.07009	2.3
119.08559	20.1
120.08096	0.3
121.10101	1.4
123.08029	1.2
127.03896	0.7
133.10135	0.6
137.05951	8.7
137.09572	3.1
147.08026	91.4
151.07530	1.1
165.09077	100.0
167.06992	0.5
175.07504	2.1
185.37903	0.3
193.08566	24.5
211.09616	45.5
261.10675	0.3
268.76401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53187	0.4
55.01857	0.6
56.77917	0.4
56.91666	0.4
57.03421	0.8
59.31813	0.4
61.02909	0.9
69.03407	2.4
69.16756	0.5
70.06558	0.6
73.02900	0.7
75.16386	0.4
79.05489	1.1
81.03403	0.8
81.07012	0.6
85.02890	8.1
90.94794	0.6
91.05477	4.2
95.04934	0.9
97.02847	2.4
105.07030	2.5
107.04932	0.8
109.06496	2.0
115.05466	0.5
119.04914	5.2
121.06513	1.0
122.03634	0.7
123.04383	2.4
123.08042	0.6
124.05273	0.6
127.03864	0.9
133.06467	2.1
137.05962	68.0
139.03931	0.6
147.04434	3.8
149.05930	0.6
151.07564	3.5
152.04645	0.8
157.99561	0.5
165.09152	0.5
167.07007	100.0
169.04919	0.7
178.06171	0.5
179.06979	6.0
181.08507	0.8
193.08540	3.2
211.09630	37.7
219.07840	0.5
229.10695	0.8
289.52670	0.7
318.50638	0.6
354.45871	0.7
408.15262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01867	3.6
55.05507	26.6
56.96561	30.6
57.07062	8.4
59.04988	33.4
65.03934	1.6
67.05495	27.5
69.03435	2.4
69.07060	31.4
71.04960	8.0
71.95262	2.0
73.06528	2.2
76.56384	1.6
79.05131	1.6
79.05486	31.3
81.07037	60.5
83.04967	7.7
83.08607	12.1
85.02876	4.2
85.06535	26.7
91.05466	45.4
93.07030	95.9
94.07363	3.0
95.04947	17.9
95.08588	58.1
97.06505	9.5
97.10168	2.2
98.97565	87.8
99.04446	4.2
99.08079	7.4
105.03406	1.8
105.07012	75.1
107.04940	4.2
107.08582	98.9
108.08853	2.3
109.06499	16.4
109.10139	30.1
111.08035	9.2
111.65756	1.8
113.09594	2.9
116.98605	100.0
117.06986	16.8
119.08560	61.2
121.06493	18.5
121.10114	42.9
123.08041	16.4
123.11681	8.3
125.09620	4.5
131.08559	25.7
133.10117	46.0
134.99641	96.6
135.08051	17.8
135.11679	54.5
136.12025	2.1
136.24852	2.1
137.05914	3.3
137.09587	8.3
137.13306	2.0
139.07552	7.9
140.00200	2.7
141.09079	2.4
143.08545	8.9
145.10095	41.1
147.07991	2.3
147.11671	20.6
149.09592	12.5
149.13246	16.1
151.07581	2.0
151.11169	8.4
153.00719	21.6
157.10115	8.6
158.01199	2.3
159.11673	29.2
161.09586	2.9
161.13191	13.0
163.11182	13.4
163.14766	3.2
173.13173	9.3
173.89835	1.8
175.11113	2.9
175.14786	34.3
177.12686	9.7
177.16321	9.7
187.14668	2.5
189.16365	3.2
191.14317	8.5
191.17920	10.2
193.15866	3.5
201.16370	21.5
203.17923	9.8
205.15863	4.5
207.17403	7.2
219.13712	3.2
219.17404	16.8
221.15334	2.7
223.17004	3.8
233.19016	12.6
235.16789	2.3
237.14880	2.2
238.15047	2.1
251.20073	2.2
259.16171	2.1
275.13110	2.7
293.14185	2.8
307.15732	4.3
311.15363	6.3
325.16962	2.8
335.15601	16.7
340.33725	2.2
349.16846	4.5
353.16431	4.0
367.17899	7.9
385.18610	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.25426	0.3
55.01855	0.5
55.05508	0.4
57.03429	7.0
57.07037	0.3
58.67863	0.3
59.64052	0.3
61.02916	0.7
65.03912	0.5
65.67775	0.3
67.05492	11.9
68.83846	0.3
69.03403	3.2
69.07034	0.5
71.04985	6.4
71.05391	0.4
73.02895	3.1
79.05478	1.4
81.03394	1.8
81.07035	3.2
83.01328	12.3
83.08606	0.5
85.02892	9.9
85.06512	1.1
91.05455	0.5
93.07032	3.5
95.04949	100.0
95.08583	6.1
96.05244	0.4
97.02892	3.2
97.06534	0.7
98.97535	0.3
99.04448	0.4
100.54617	0.3
101.02370	3.4
105.07017	3.6
107.08583	4.9
109.02886	0.7
109.06521	2.4
109.10141	2.3
113.05991	6.2
116.98585	0.5
119.08566	1.4
121.02785	0.4
121.10135	2.2
123.04409	4.9
123.08053	3.3
123.11651	0.4
125.09605	5.5
127.03867	1.3
127.07577	0.4
133.06505	0.4
133.10115	0.7
135.11696	0.8
137.05989	0.4
141.05452	10.6
145.04990	0.7
149.13258	3.3
151.07524	11.4
151.11125	0.5
153.09097	3.0
159.06575	0.4
167.07056	0.4
167.14285	5.6
169.08545	7.2
171.10085	3.4
175.14777	0.6
179.07001	42.8
180.08760	0.5
185.11757	1.4
190.84663	0.4
193.16006	0.5
197.08072	14.7
211.09627	0.5
211.13335	0.4
211.16891	2.4
215.09109	13.2
229.10684	5.7
246.11145	0.4
266.08020	0.4
332.55017	0.3
342.15317	0.4
346.53372	0.4
355.67725	0.3
404.22235	0.3
408.17322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
53.18439	0.1
54.48482	0.1
55.01844	0.3
55.05497	0.1
57.03426	0.2
57.10861	0.1
61.02912	0.3
67.05482	0.2
69.03403	1.2
71.04933	0.1
72.99501	0.1
73.02902	0.2
78.04683	0.6
79.05456	0.6
81.03382	0.8
81.07058	0.1
83.04945	0.1
85.02887	4.4
91.05453	0.9
93.07006	1.0
95.04935	0.3
97.02872	1.1
98.09668	0.2
103.05441	0.6
105.03412	0.2
105.07029	0.7
106.04182	0.2
107.04970	1.1
109.02869	0.5
109.06562	0.2
115.05482	0.2
119.08562	0.3
121.06487	1.6
121.10148	0.2
123.04398	2.4
124.05193	0.8
126.09133	0.2
127.03910	0.2
133.06473	0.5
134.03619	0.2
137.05940	0.6
137.87016	0.1
145.06462	0.1
147.07977	0.2
149.05960	2.4
151.03857	0.3
151.07542	0.3
152.04671	1.0
153.01842	0.2
154.08617	0.7
161.05948	0.9
163.03860	0.1
166.06195	0.3
167.07004	100.0
168.07390	0.7
173.06006	0.2
175.07469	0.1
175.11148	0.2
176.98529	0.2
177.05420	0.2
179.06979	0.3
181.08554	2.7
191.07027	0.3
192.07953	0.2
193.08569	2.8
196.07259	0.3
211.09616	8.6
229.10681	7.0
234.98996	0.6
239.09094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.6
56.96559	4.4
57.06808	0.7
57.07066	12.5
58.06586	3.5
67.05489	3.5
68.05019	0.7
69.03410	0.6
69.07052	3.3
69.97179	0.4
70.06577	31.1
71.04972	0.6
71.08611	4.0
72.08141	4.7
79.05474	2.6
81.06604	0.5
81.07037	7.2
81.96400	0.4
82.07391	0.4
83.04968	1.1
83.08606	0.7
84.08128	5.7
85.10163	0.5
86.09696	7.4
87.04424	0.5
87.06865	0.5
88.07597	3.7
89.06031	3.3
91.05463	3.4
93.07019	5.8
94.07341	0.7
95.04947	2.1
95.08588	3.8
96.04462	0.6
97.06493	0.7
105.07024	6.0
106.07356	0.4
107.08611	4.5
109.06522	1.1
109.10162	3.2
114.09168	4.5
117.06973	0.8
119.08589	3.5
120.08861	0.4
121.06424	0.5
121.10120	2.4
122.10332	0.4
129.06964	0.5
131.08559	1.7
132.10178	11.4
133.10101	1.8
135.11690	1.1
137.09569	0.6
142.07846	0.7
143.08591	0.6
145.10104	2.2
146.10577	0.8
146.11734	10.5
147.11658	0.6
149.09683	0.8
157.10100	1.0
159.11667	1.0
166.70438	0.5
173.09581	0.5
176.12796	2.5
183.03307	0.5
190.14383	1.9
212.23744	3.8
238.25218	3.2
240.26868	0.9
256.26324	2.3
290.23578	0.5
300.28922	60.5
311.15710	1.0
344.31552	25.3
366.16040	0.5
406.35199	100.0
407.35226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70109	0.9
52.97855	0.9
55.01868	25.8
55.05502	5.6
57.03423	2.5
57.28722	1.0
61.76637	0.9
67.05486	8.3
69.03419	9.1
69.07055	18.5
71.04958	8.8
75.54214	1.1
79.05483	14.4
81.07048	15.9
83.08610	1.6
85.02882	5.9
85.06541	16.0
91.05448	7.8
93.06490	1.3
93.07027	31.3
95.04949	11.7
95.08597	23.3
96.26104	1.1
97.06510	18.8
99.04445	9.0
103.35059	1.1
105.06368	1.5
105.07018	27.3
107.04954	2.1
107.08587	61.5
108.97987	1.2
109.06512	17.5
109.10150	1.7
110.06832	1.2
111.08069	2.5
113.05984	5.9
117.07005	1.9
118.81641	1.1
119.08582	8.9
121.06468	9.9
121.10110	28.7
123.08038	15.7
127.07556	1.5
131.08546	4.4
133.06500	2.0
133.10110	6.4
134.10471	2.4
135.08084	4.2
135.11661	12.3
137.05945	2.0
139.11140	2.7
139.98273	1.1
142.62256	1.4
145.10098	17.3
147.11707	8.8
148.12033	1.9
149.09590	11.3
151.07538	11.9
153.09097	1.5
153.12758	1.2
161.73505	1.1
163.11147	48.2
167.10643	18.9
169.08575	100.0
171.10255	1.4
173.09529	2.8
173.13190	2.0
181.12238	17.3
185.11743	5.7
191.10628	14.6
191.14314	1.3
193.08548	1.5
209.11743	9.0
209.15266	2.0
210.15817	2.2
227.12758	80.2
227.16185	14.4
228.16710	11.2
245.13812	1.3
255.11656	1.4
294.70517	1.2
297.08676	1.6
307.95624	1.4
315.03055	1.2
339.09610	1.5
389.13510	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	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03923	0.2
53.03924	0.2
57.03424	0.5
61.02903	0.4
61.72628	0.2
67.05482	0.2
69.03423	1.7
71.41942	0.2
78.04700	0.3
79.05450	1.0
81.03375	0.9
81.07013	0.3
85.02887	3.8
86.74038	0.2
87.45831	0.2
91.05461	1.1
93.07008	1.1
94.10260	0.2
95.04942	0.5
97.02867	1.3
101.10028	0.2
103.05431	0.3
103.41620	0.2
105.07011	0.5
106.04154	0.8
107.04923	1.3
107.08540	0.3
109.02869	0.4
109.06482	0.2
119.08554	0.3
121.06493	1.7
123.04396	2.2
124.05165	0.9
127.03865	0.5
133.06494	0.4
137.05946	0.4
137.09555	0.2
139.03905	0.4
140.91386	0.2
142.90974	0.2
149.02324	0.2
149.05954	2.4
151.07463	0.2
152.04652	1.3
154.08640	0.3
161.05930	0.9
166.06157	0.3
167.07001	100.0
168.07387	0.9
181.08543	2.3
193.08572	3.0
211.09628	7.6
229.10701	7.2
230.50375	0.2
307.75067	0.2
314.84091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20385	0.9
53.03951	1.2
54.93045	1.0
55.05507	10.3
57.07055	4.5
59.04996	1.6
61.43970	1.1
67.05183	1.6
67.05498	24.1
68.71331	1.2
69.07056	26.1
71.04970	5.9
71.08608	1.5
73.33573	1.1
76.24570	1.2
79.05473	24.3
80.05824	1.1
81.07038	51.2
83.04959	1.2
83.08590	6.6
91.05462	33.7
93.07023	44.6
94.07336	1.6
95.04952	15.2
95.08006	2.1
95.08590	40.3
97.06493	1.8
97.10155	1.7
105.07017	100.0
107.04949	2.5
107.08579	39.2
109.06496	5.3
109.10139	51.3
110.10458	1.2
111.08040	2.0
117.07024	8.0
119.08568	83.4
121.06486	4.6
121.10124	28.9
123.08014	2.2
123.11687	25.6
129.06973	1.5
131.08588	11.9
131.69762	1.2
133.10107	87.0
135.08015	5.0
135.11682	17.7
137.09576	5.3
145.10083	18.8
147.11664	52.8
149.13246	5.5
151.11147	6.4
159.11694	11.5
161.09569	1.9
161.13228	21.2
163.11165	2.7
167.07024	2.1
167.25282	1.4
168.07343	1.8
173.13182	1.7
175.14806	10.1
177.16467	1.3
191.14243	1.3
201.16371	12.7
203.17940	75.3
219.17381	16.8
221.18971	4.6
237.18323	2.2
364.65302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01867	2.6
55.05502	21.4
57.03416	3.9
57.07038	3.0
59.02696	1.4
59.04966	1.5
61.02919	3.0
67.05499	14.0
67.15556	1.4
67.75713	1.4
69.03419	21.2
69.07059	22.1
71.04970	14.1
79.05480	22.5
81.03384	3.1
81.07040	23.2
83.04971	8.0
83.08589	7.5
85.02886	36.1
85.06509	3.5
85.28408	1.5
87.04427	2.4
87.50229	1.4
91.05458	31.0
92.51449	1.4
93.07029	94.9
95.04952	65.4
95.08583	22.5
97.02863	10.4
97.03432	1.4
97.06505	16.0
98.41658	1.8
99.04446	16.2
105.03385	6.5
105.07019	61.8
105.07714	2.3
107.04948	14.7
107.08578	100.0
109.02868	3.3
109.06506	14.3
109.10133	15.9
111.08061	37.0
117.06979	11.4
119.08560	66.8
121.06509	12.8
121.10121	63.4
123.04400	2.5
123.08076	3.7
123.11703	3.2
127.03882	6.1
129.06966	7.1
130.07736	2.2
131.07538	2.2
131.08536	51.5
133.10101	73.7
135.07964	14.0
135.11650	8.5
137.05963	3.3
137.09621	3.9
139.07538	33.5
143.08548	8.3
144.09338	3.3
145.04944	2.9
145.06502	1.9
145.10117	28.4
147.11673	28.1
149.09572	8.3
149.13240	42.7
151.11162	6.2
153.05470	2.0
153.09097	20.5
157.08623	6.2
158.10910	13.3
161.09642	2.0
161.13222	19.3
163.07549	3.9
163.11108	7.2
163.14754	8.8
163.77501	1.6
165.12723	1.6
167.06987	9.1
167.14284	9.1
168.07422	1.6
173.13213	61.5
175.14778	49.4
181.08521	3.8
191.10625	3.4
191.14278	62.0
193.15857	6.7
209.11761	3.7
209.15338	46.3
227.09126	2.3
227.16475	2.5
239.70776	1.7
410.77823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98195	1.6
52.52464	1.6
53.03939	1.6
53.40975	1.6
54.55244	1.5
55.01844	1.6
55.05502	3.4
65.06116	1.8
67.05504	17.8
67.43249	1.7
69.07056	16.5
69.80956	1.9
71.04978	10.2
79.05478	13.5
81.07043	36.5
83.08585	4.8
85.06517	4.7
91.05460	25.7
92.08714	2.7
93.07024	100.0
95.04983	4.5
95.08585	35.8
97.06487	8.5
103.18613	1.7
105.07015	49.7
107.08587	42.5
109.10146	65.5
111.08070	24.9
117.07016	2.9
119.08566	48.1
121.10123	37.0
123.11691	4.9
125.09607	12.3
127.11152	14.6
131.08528	17.6
133.10088	26.6
135.11690	9.6
145.10115	42.6
147.11661	8.0
149.13152	2.7
159.11659	39.4
161.13220	73.4
163.11256	3.5
173.13205	10.0
175.14848	9.5
177.16400	9.3
179.14217	3.4
196.68587	2.0
197.13396	2.1
201.16377	35.9
219.17422	42.3
233.77870	2.1
237.18477	21.6
339.63937	1.8
422.85571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.5
57.03428	1.6
61.02912	1.5
67.05492	4.8
69.03407	6.1
69.07041	1.9
71.04977	6.2
81.03405	1.8
81.07031	7.7
83.04968	23.5
83.08601	19.7
85.02885	13.3
85.06535	1.9
91.05449	2.1
93.07009	5.0
95.04949	92.7
95.08574	1.9
96.40924	1.1
97.02887	4.1
97.06488	4.3
97.10146	2.4
99.04436	14.2
105.06997	4.8
107.08568	11.2
109.06513	2.0
109.10151	13.0
111.08070	6.0
119.08588	1.3
121.10136	5.0
123.11689	7.2
125.09644	4.0
131.08592	1.4
133.10106	11.1
137.05956	1.6
149.13260	2.1
151.11163	27.2
153.09084	20.1
167.14288	35.5
167.15605	2.0
173.13199	4.2
175.14760	5.7
183.35086	1.2
191.14369	1.8
193.15904	1.4
205.13960	1.1
209.15335	100.0
227.16313	1.3
273.16272	1.0
326.04605	1.1
335.57825	1.2
378.09311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98704	0.4
52.96691	0.3
54.81261	0.5
55.01870	0.5
55.05502	4.0
57.03415	0.8
57.07055	2.0
61.02909	0.6
64.43081	0.4
67.05503	3.5
68.28669	0.4
69.03412	1.8
69.06762	0.4
69.07058	6.5
71.04985	2.0
79.05474	4.1
81.07040	17.0
83.04958	0.7
83.08591	2.9
85.02896	6.5
85.03382	0.7
85.06546	3.1
91.05463	2.0
93.07026	14.5
95.04923	0.7
95.08586	11.2
97.02895	0.8
97.06471	0.5
97.10155	0.6
99.04444	0.5
99.08076	4.2
103.40138	0.4
105.07001	2.9
107.04974	0.7
107.08578	35.1
109.06489	0.6
109.10141	11.0
111.08047	2.5
119.08597	0.8
121.10116	21.4
123.10813	0.6
123.11698	15.3
125.05947	0.6
125.09602	2.9
126.13308	0.5
126.31662	0.5
127.03852	0.5
131.08583	0.9
133.10112	1.0
135.11674	7.3
137.09592	0.6
139.07544	2.1
139.11157	3.0
147.11707	1.1
147.26605	0.5
153.09071	1.0
155.10641	2.4
161.09544	0.7
163.14789	100.0
167.10646	3.1
173.13231	0.7
181.15845	19.6
191.14296	3.1
191.78239	0.5
209.15335	38.1
225.11218	0.5
227.16388	12.6
258.23257	0.5
262.10770	0.4
276.01929	0.5
373.94617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98704	0.4
52.96691	0.3
54.81261	0.5
55.01870	0.5
55.05502	4.0
57.03415	0.8
57.07055	2.0
61.02909	0.6
64.43081	0.4
67.05503	3.5
68.28669	0.4
69.03412	1.8
69.06762	0.4
69.07058	6.5
71.04985	2.0
79.05474	4.1
81.07040	17.0
83.04958	0.7
83.08591	2.9
85.02896	6.5
85.03382	0.7
85.06546	3.1
91.05463	2.0
93.07026	14.5
95.04923	0.7
95.08586	11.2
97.02895	0.8
97.06471	0.5
97.10155	0.6
99.04444	0.5
99.08076	4.2
103.40138	0.4
105.07001	2.9
107.04974	0.7
107.08578	35.1
109.06489	0.6
109.10141	11.0
111.08047	2.5
119.08597	0.8
121.10116	21.4
123.10813	0.6
123.11698	15.3
125.05947	0.6
125.09602	2.9
126.13308	0.5
126.31662	0.5
127.03852	0.5
131.08583	0.9
133.10112	1.0
135.11674	7.3
137.09592	0.6
139.07544	2.1
139.11157	3.0
147.11707	1.1
147.26605	0.5
153.09071	1.0
155.10641	2.4
161.09544	0.7
163.14789	100.0
167.10646	3.1
173.13231	0.7
181.15845	19.6
191.14296	3.1
191.78239	0.5
209.15335	38.1
225.11218	0.5
227.16388	12.6
258.23257	0.5
262.10770	0.4
276.01929	0.5
373.94617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60669	0.7
50.87052	0.7
51.62101	0.7
53.75847	0.8
55.01876	0.9
55.05500	16.6
57.03438	1.0
61.02912	1.3
67.05488	2.1
69.03422	4.2
69.07050	1.6
71.04979	6.0
74.82945	0.8
76.86543	0.9
79.05462	1.0
81.07050	4.3
83.04963	13.2
83.08601	13.5
84.36624	0.9
85.02891	11.8
85.06518	1.0
93.07010	6.5
95.04944	100.0
95.08621	3.5
97.02877	3.2
97.06492	5.6
97.10157	2.2
99.04440	17.2
105.07018	4.3
107.08545	8.5
109.06493	3.6
109.10133	9.4
111.08069	5.2
119.08533	3.6
121.10149	6.3
123.11684	4.1
125.09615	2.2
131.08559	1.5
133.10110	9.2
135.65778	1.0
145.10117	1.6
147.11681	1.5
149.09656	1.0
149.13258	4.0
151.11168	15.0
153.09077	23.0
167.14250	18.7
173.13213	5.8
175.14810	4.8
191.14316	2.1
193.15851	1.4
209.15337	65.5
245.43913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03252	0.4
55.05499	2.7
57.07078	0.8
58.84298	0.5
61.02922	0.7
67.05491	4.3
68.66622	0.5
69.03401	3.8
69.07056	6.0
71.04973	2.3
79.05476	3.5
81.07039	7.8
83.04942	0.7
83.08591	2.1
85.02891	7.5
85.06513	2.6
91.05463	2.3
93.07021	14.3
95.04945	2.1
95.08593	8.1
97.02908	0.9
97.06509	100.0
99.04449	0.6
99.08074	0.8
105.07023	6.2
107.08579	29.2
109.06503	6.5
109.10138	10.3
111.08060	4.9
111.38968	0.5
113.09535	0.6
119.07819	0.5
119.08550	4.6
121.06490	1.0
121.10126	17.6
123.08059	2.2
123.11649	1.3
125.09603	0.8
127.03900	1.1
131.08554	4.4
133.10106	10.8
135.08032	1.2
135.11705	1.2
137.09636	3.5
139.07495	0.7
139.11174	1.3
141.02176	0.5
143.08566	0.7
143.77037	0.7
145.10121	2.4
147.11664	4.3
149.09618	2.9
149.13234	23.2
151.11154	5.9
153.09091	2.3
161.13193	2.1
163.14832	3.7
165.12799	0.6
167.10692	1.3
169.12213	7.6
173.13228	7.0
179.14342	1.0
183.23888	0.5
191.14268	10.4
209.15337	11.5
227.16374	40.8
261.02399	0.6
290.37259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16386	1.0
53.03944	1.6
55.01865	4.5
55.05502	5.7
57.03429	4.7
60.15024	1.0
60.91669	1.0
61.02917	7.4
67.05501	9.0
69.03418	18.5
69.07055	1.1
71.04980	8.5
73.02881	1.4
75.57325	1.1
79.05479	11.7
81.03400	7.1
81.07041	14.3
83.04973	2.0
85.02367	1.6
85.02891	49.3
85.06535	1.9
85.86304	1.0
91.03928	1.9
91.05460	7.4
92.08593	1.3
93.07025	37.8
95.04956	6.0
95.08598	5.1
97.02872	16.7
97.06491	9.3
99.04438	31.5
101.05994	4.4
101.50210	1.2
105.06356	2.0
105.07021	33.4
107.08581	28.9
109.02854	5.6
109.06524	2.6
111.08064	2.4
117.07005	4.6
119.08572	22.5
121.05703	1.7
121.06503	24.1
121.10125	88.6
123.08035	5.3
123.11666	1.7
127.03910	4.8
127.07543	1.2
130.07785	1.7
131.08556	4.5
133.10118	4.2
135.08054	7.2
135.11652	13.6
137.05927	1.6
137.40321	1.0
143.08566	1.5
145.04948	7.4
145.10109	40.8
147.11623	3.4
149.05919	1.4
149.09618	11.4
161.09610	2.6
163.11163	100.0
167.07008	1.0
173.09619	8.7
180.08678	4.5
181.12221	38.1
191.10638	46.4
191.14398	1.2
198.29720	1.2
207.10190	1.3
209.11725	34.8
209.15279	2.0
227.12761	88.3
244.15369	5.4
244.84761	1.1
274.96271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.07065	1.0
69.07052	1.1
71.08586	0.6
79.05466	1.1
79.94408	0.6
80.59599	0.6
81.07037	3.1
85.02887	7.9
91.05438	0.7
93.07030	1.5
95.08584	0.9
97.02868	3.8
106.30296	0.6
107.08578	0.8
111.04438	2.9
114.36355	0.6
119.08498	0.8
127.03896	3.0
131.08539	1.3
139.03885	100.0
145.10130	0.9
152.60793	0.6
178.40469	0.7
187.14876	1.0
192.53381	0.7
387.63162	0.6
405.33597	16.6
405.41718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3513
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
54.31729	1.9
55.01856	2.5
55.05506	30.1
57.07057	13.4
66.47918	1.6
67.05494	39.7
69.07054	43.4
77.61635	1.8
79.05473	35.6
81.07043	97.5
83.08606	28.6
83.38860	2.0
85.83344	2.1
91.05452	25.2
93.06485	3.6
93.07025	60.6
95.04946	2.5
95.08587	85.2
97.10155	4.4
105.07020	55.1
107.08577	79.0
109.06468	3.1
109.10142	68.2
111.11697	2.4
117.07011	9.7
119.08564	65.6
121.10123	50.1
121.50437	2.0
123.08066	2.6
123.11700	27.5
128.06160	2.8
129.06984	8.3
131.08546	27.6
133.10106	51.8
134.50996	2.1
135.11668	26.0
137.13245	8.7
138.29535	1.7
142.07748	8.9
143.08545	22.7
144.09267	3.0
145.10083	43.0
147.11667	44.4
149.13211	14.3
155.08546	12.2
156.09311	8.6
157.10103	43.0
158.10861	7.7
159.11668	43.7
161.13229	23.2
163.14784	9.6
169.10043	19.3
170.10857	5.0
171.11665	34.5
173.13208	34.6
175.14810	14.2
175.54973	1.8
177.16382	3.8
181.10088	3.8
182.10925	2.3
183.11646	19.7
184.12442	3.1
185.13226	26.4
187.14789	18.2
189.16377	7.7
189.51517	2.0
195.11720	7.7
196.12537	3.3
197.13135	16.7
199.14825	18.4
201.16257	15.8
203.17978	7.8
209.13248	9.7
210.14075	2.8
211.14819	14.2
213.16315	16.6
215.17973	10.0
220.42506	2.0
223.14775	8.5
225.16315	11.2
227.17903	12.6
229.19553	8.3
237.16322	4.3
239.17932	9.7
241.19490	4.6
243.21219	2.6
251.17960	8.7
253.19537	8.4
255.21072	8.7
265.19531	3.4
267.21042	4.6
269.22610	8.5
277.74515	2.2
279.20963	2.4
281.22684	8.2
293.22351	3.1
295.24176	4.9
297.25607	2.4
305.22708	2.2
307.24216	4.0
309.25638	7.6
311.27216	2.3
321.25717	4.7
323.27267	8.6
324.28101	2.9
335.27350	7.4
349.28845	9.3
363.30017	2.6
405.26553	3.3
405.35071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01879	1.6
55.05492	7.0
57.03423	2.5
61.02914	4.7
62.10712	1.0
62.13473	1.0
65.03919	2.0
67.05146	1.5
67.05493	43.8
69.03428	9.4
69.07050	4.5
71.04990	4.1
79.05481	13.6
81.03383	2.8
81.07040	22.1
83.04963	9.4
85.02894	19.0
85.06537	15.4
91.05472	7.4
93.07027	69.1
95.04948	76.9
95.08585	2.0
97.02859	6.1
99.04436	2.2
100.31487	1.1
105.07016	28.6
107.04932	1.6
107.07867	2.6
107.08578	58.6
109.06506	16.1
109.10152	20.4
111.08054	1.9
113.06042	1.3
117.07008	2.9
119.08573	21.4
121.06461	10.6
121.09254	2.3
121.10124	67.8
125.05965	2.2
125.09645	1.4
127.03915	1.9
127.07539	14.0
130.07762	2.3
131.08559	2.9
135.08012	7.7
135.11665	40.7
145.04970	1.8
145.10101	56.6
147.11650	13.4
149.09622	5.9
153.09073	15.3
155.31862	1.4
163.11157	100.0
165.12708	33.3
169.67870	1.1
173.09589	2.4
180.08696	1.2
181.12207	37.0
191.10637	77.6
209.11720	31.1
227.12747	59.0
336.75369	1.5
361.71463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01862	2.4
55.05504	24.6
57.07063	11.0
59.04984	7.6
62.44487	1.5
67.05495	32.1
69.03407	4.2
69.07050	24.9
71.04984	3.9
79.05473	29.4
80.05798	1.7
81.07040	68.0
83.04970	3.4
83.08610	11.1
91.05472	38.9
91.91237	1.7
93.07025	80.1
95.04962	13.3
95.08588	66.2
97.02888	2.9
97.06502	8.5
105.07020	38.7
106.07320	2.7
107.08577	93.0
107.57393	2.0
109.06513	14.0
109.10146	45.9
111.04421	7.3
111.08066	3.7
111.73541	1.7
113.02359	2.7
113.81136	1.6
117.07006	7.1
119.08559	31.9
121.06502	4.1
121.10114	22.8
123.04428	9.8
123.08052	14.5
123.11676	9.0
131.08562	9.6
133.10112	33.6
135.08049	7.7
135.11674	100.0
135.12679	3.5
136.12030	3.3
137.05927	2.5
137.09589	7.8
137.13219	11.0
139.07532	8.9
139.11301	2.3
143.08501	2.6
144.09254	2.1
145.10074	14.4
147.08028	17.5
147.11693	12.9
149.09613	6.8
149.13235	4.0
151.07591	1.9
151.11169	7.9
153.09082	6.7
153.12715	13.3
157.10152	4.1
159.11705	9.1
161.09618	10.8
161.13219	3.7
165.09097	17.6
175.11183	7.6
175.14787	3.3
179.09032	1.8
179.10703	2.5
183.10094	2.5
189.16396	15.1
191.17842	2.6
193.12241	7.3
199.14751	2.4
201.16368	7.9
217.15892	11.6
219.17331	4.1
235.16965	11.7
253.17993	2.7
369.27869	3.4
387.29013	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	405.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.81307	1.3
55.05499	10.6
57.07055	6.0
58.41159	1.1
59.12904	1.1
67.05495	15.5
68.43552	1.4
69.03435	5.9
69.07056	18.3
71.04974	2.7
79.05483	24.6
81.07042	43.2
83.04967	8.2
83.08595	8.4
85.02894	5.9
85.06540	3.0
91.05455	23.6
92.08669	2.5
93.07027	100.0
95.04948	7.3
95.08588	33.7
97.06525	17.2
97.10139	2.0
105.06361	2.5
105.07019	46.2
107.08578	70.7
109.06492	11.6
109.10139	27.5
110.10458	1.4
111.08052	1.7
117.07036	6.0
119.08567	37.1
121.06492	11.4
121.10121	20.3
123.08046	8.2
123.11695	8.9
125.09551	2.0
129.06978	1.5
131.08542	13.0
133.10117	42.3
135.08041	6.1
135.11670	51.3
137.09584	7.2
139.07520	50.0
143.08591	2.7
145.10126	15.5
147.08083	1.9
147.11681	19.9
149.09648	2.5
149.13243	11.9
151.07544	1.9
151.11166	8.7
151.14989	1.7
151.89291	1.5
153.12775	3.4
157.10130	6.5
159.11684	14.1
161.09613	7.7
161.13223	3.4
165.09062	1.6
173.13226	19.6
175.11150	2.3
175.14792	49.0
177.12720	21.7
179.09113	2.0
179.10620	16.8
189.16336	42.2
191.17862	1.5
193.15852	47.7
195.13785	3.4
199.14783	2.5
200.15224	1.9
201.16393	2.9
203.17957	1.8
207.17430	3.2
217.15857	14.3
219.17432	6.4
235.16893	68.6
253.17987	27.8
261.03528	1.5
387.28885	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98986	0.6
53.03942	1.5
53.83354	0.6
55.01857	1.3
55.96531	0.6
56.96559	0.9
59.04983	0.8
61.32030	0.7
65.03931	1.3
67.05488	3.4
69.07059	4.1
79.05482	10.0
81.07048	3.6
82.15051	0.8
88.84976	0.7
91.05443	7.5
92.06238	0.7
93.07025	4.0
95.04949	21.0
97.06501	1.2
97.73729	0.7
102.13110	0.7
103.05448	4.7
105.07028	8.9
106.04172	1.3
107.04944	33.5
107.08583	3.3
109.06528	0.9
114.23579	0.7
115.05450	3.6
117.06985	3.6
119.04975	0.7
119.08537	1.3
120.05730	1.0
121.06434	4.9
122.03611	1.0
123.04404	20.2
124.05177	3.1
125.05978	1.0
128.06187	1.2
129.06969	2.7
130.07777	5.1
131.04893	1.0
131.08569	3.6
133.06485	1.5
133.10103	0.8
133.57086	0.7
134.03687	0.7
135.08020	6.8
137.05980	5.9
138.03209	0.7
140.04691	5.6
143.08554	9.8
144.05624	0.8
145.06483	3.2
145.10117	19.8
147.04402	1.0
147.07973	0.9
148.05098	0.8
149.05942	0.8
151.03918	1.5
152.04671	1.3
153.05475	1.0
154.06255	1.0
155.07042	4.4
155.08423	5.2
157.06474	0.8
158.07259	20.1
159.08011	2.6
163.03856	0.7
163.07550	5.5
163.11185	1.3
166.06219	1.6
167.07007	100.0
171.06563	1.0
171.08032	1.3
173.09598	28.4
175.07550	1.4
177.05432	0.9
178.06209	1.3
180.07805	2.9
181.04942	24.8
181.08531	15.3
183.06543	6.1
183.09172	1.6
186.06744	2.9
189.09024	1.4
191.10629	2.7
192.07797	1.4
195.10170	9.7
201.09090	33.1
207.10085	0.7
219.10162	10.4
223.13173	0.8
233.11668	12.1
251.12724	21.1
355.15103	1.0
366.28433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.40784	1.4
54.81551	1.8
55.01867	7.9
55.05508	38.0
57.03417	3.4
57.07059	11.0
59.04982	2.3
65.03923	2.7
67.05150	2.4
67.05494	51.7
69.03402	10.2
69.07053	35.1
71.04962	3.3
71.08614	3.3
79.05474	47.6
81.07041	85.0
83.04955	12.4
83.08608	23.0
85.02891	7.9
91.05458	33.3
93.07026	78.5
95.04947	11.2
95.08585	100.0
97.02860	18.6
97.06503	8.5
97.10146	2.8
105.07020	40.1
107.04951	2.5
107.08582	98.1
108.08916	1.9
109.06522	13.8
109.10146	88.8
111.04441	22.8
111.08057	11.8
113.02328	15.7
117.06992	8.0
119.08557	53.2
121.06481	4.2
121.10133	25.3
123.04411	28.7
123.08050	45.6
123.11689	14.4
125.05962	2.5
125.09606	7.5
131.08537	11.8
133.10112	30.7
134.10440	2.7
135.08020	7.8
135.11673	52.2
136.12422	2.0
137.05931	7.3
137.09589	29.4
137.13231	40.8
139.07542	23.4
141.09027	2.3
142.07742	2.9
143.08507	6.4
145.10086	17.6
147.08060	58.9
147.11664	18.6
149.09619	8.0
149.13220	3.6
151.07520	4.2
153.09068	24.2
153.12755	4.1
157.10083	9.7
159.11691	8.6
161.09622	18.1
161.13216	4.1
163.11191	2.2
165.09077	85.4
165.10486	3.5
167.10619	3.0
175.11185	13.9
175.14790	8.4
177.12770	3.7
179.10655	8.0
183.10164	14.0
189.16347	33.8
193.12228	20.8
207.17444	3.6
217.15892	16.0
235.16891	30.2
253.17914	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	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84926	0.5
53.03931	2.9
54.10322	0.5
54.21206	0.4
55.01870	0.7
55.05503	1.0
55.82109	0.5
56.07115	0.5
59.04990	0.7
65.03925	2.9
67.05486	3.3
67.42218	0.6
69.07046	4.4
71.13213	0.6
75.41795	0.5
78.04681	2.3
79.05475	9.7
81.06629	0.5
81.07031	4.5
82.04182	0.7
91.05450	8.6
92.08739	0.7
93.03400	0.7
93.07025	5.6
95.04951	20.8
95.08613	1.2
97.06522	1.1
101.61404	0.6
103.05466	4.8
104.09505	0.6
105.04507	2.7
105.07027	8.0
106.04186	0.6
107.04943	37.1
107.08591	2.6
109.06529	0.5
109.10165	0.7
110.11639	0.5
115.05447	3.6
117.07003	5.1
117.86996	0.5
118.37026	0.5
119.08530	1.0
120.05743	1.1
121.06441	5.3
121.10122	1.0
122.03591	1.2
123.04410	21.8
123.97750	0.5
124.05194	4.4
125.06009	1.4
128.06192	2.3
129.06961	2.2
130.07791	6.1
131.04884	1.1
131.08559	3.9
133.10097	0.8
135.08044	6.8
137.05988	5.6
140.04655	7.2
142.02631	0.8
143.08534	12.7
145.06496	2.4
145.10106	16.1
147.04442	0.8
147.08051	1.0
147.11772	0.6
149.05965	1.3
151.03880	2.7
152.04654	2.9
153.05476	1.0
153.07004	0.7
154.06253	1.1
155.07135	6.7
155.08423	7.0
157.06311	0.6
158.07245	21.2
159.07959	1.4
159.11674	0.9
163.07484	7.0
163.11185	1.3
166.06264	3.0
167.07002	100.0
168.07378	0.6
171.06578	0.9
171.08025	0.9
173.09584	33.2
175.07578	1.2
177.05397	0.9
177.09027	0.6
178.06195	1.0
180.07838	1.1
181.04936	24.5
181.08553	16.5
181.10126	0.7
183.06502	4.5
183.09209	2.3
186.06746	3.3
189.09073	2.2
191.10670	2.4
192.07829	1.2
193.08557	0.7
195.10123	10.5
201.09073	33.0
207.10075	0.9
207.13905	0.7
207.86023	0.6
218.09410	1.0
219.10164	9.3
223.13223	1.0
233.11673	14.7
251.12727	24.6
252.72154	0.6
323.12683	0.6
355.15527	1.2
360.88934	0.6
387.18036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
54.93740	1.1
55.01862	1.2
55.05506	1.6
57.86876	1.2
59.04987	2.6
59.58829	1.1
65.03925	1.6
66.89380	1.1
67.05492	5.6
69.03397	2.1
69.07051	5.4
78.04676	2.1
79.05494	13.8
81.07027	6.3
85.02897	1.7
91.05459	13.6
92.09280	1.3
93.03365	1.6
93.07023	10.6
94.04158	1.7
95.04948	49.3
95.08577	1.9
97.02871	1.1
100.53659	1.3
103.05453	5.8
105.04498	2.2
105.07016	17.0
107.04935	34.7
107.08581	4.9
109.06496	2.5
109.10123	2.2
111.04382	1.5
111.08050	1.4
115.05460	6.0
117.07000	6.6
119.08539	2.5
121.06494	7.4
121.10091	1.3
123.04400	44.0
124.05212	2.5
125.05989	2.4
128.06200	5.1
129.06978	6.4
130.07764	12.1
131.04933	1.5
131.08548	5.0
132.05643	1.4
133.06548	1.4
133.10103	2.2
135.04382	1.9
135.08038	7.6
137.05969	14.1
139.03877	2.1
140.04688	13.0
141.06918	1.6
143.08553	29.6
145.06520	2.4
145.10114	61.2
145.11234	2.7
147.04512	1.4
147.08031	2.9
152.04671	2.2
153.05424	2.3
153.06967	2.8
155.07024	16.4
155.08540	16.5
157.06468	1.5
158.07239	57.3
159.08006	2.1
161.05936	1.8
163.07532	5.6
163.11186	2.0
167.07004	96.9
171.07973	2.6
173.09584	100.0
175.07578	4.0
178.06268	5.3
181.04953	10.9
181.08546	27.2
183.06540	15.2
183.09196	8.1
186.06754	12.8
189.09178	2.1
190.34473	1.4
191.10655	2.6
192.07799	6.0
193.08656	2.0
195.10054	8.5
201.09073	91.2
207.10001	2.0
218.09441	1.6
219.10069	8.4
233.11679	40.7
251.12712	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	404.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05502	1.1
55.49724	0.6
57.07061	3.2
67.05495	3.3
68.07863	0.8
68.34118	0.6
69.03427	0.8
69.07057	4.6
71.08624	5.8
77.81664	0.6
79.05489	1.7
81.07047	6.4
83.08601	1.7
86.08025	0.8
91.05444	6.9
93.07044	7.6
94.07375	0.9
95.04962	1.2
95.08590	1.6
105.07008	11.5
107.04945	1.0
107.08594	5.6
108.08897	1.2
109.10136	3.2
117.07005	1.6
119.08571	4.3
121.06482	8.8
121.10066	1.5
123.11642	1.0
130.07750	1.2
131.08554	12.1
133.06549	0.9
133.10100	8.4
135.08020	6.6
135.11681	0.9
145.10107	100.0
146.10426	0.9
147.08084	1.8
156.09268	0.9
157.10040	1.0
159.11664	15.6
160.08847	0.9
161.09615	12.5
173.13240	0.9
175.11157	7.9
181.94633	0.7
182.95641	0.8
189.16385	1.1
201.16357	49.6
217.15796	5.6
236.35104	0.8
237.42389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
54.02633	1.7
55.05502	15.2
57.07064	3.3
58.18692	2.3
67.05497	27.4
67.78263	1.8
69.03402	3.2
69.07062	35.9
71.04971	10.2
79.05486	22.0
81.06585	4.0
81.07038	56.4
82.07379	3.9
83.04973	2.6
83.08617	11.1
85.06519	9.1
89.12517	2.3
91.05464	34.4
93.07024	100.0
95.04958	16.9
95.08582	50.1
97.06507	14.5
97.10171	2.4
105.07016	81.9
106.07342	2.7
107.08574	60.2
109.06526	9.5
109.10140	60.1
111.08102	19.5
117.07000	11.8
119.08552	71.3
120.08910	2.7
121.10107	36.2
122.10467	2.1
123.08006	4.6
123.11701	15.1
125.09610	10.5
127.11195	10.4
131.08511	17.6
132.08907	3.5
133.10112	71.8
134.10429	4.5
135.08044	8.7
135.11693	22.1
137.09622	4.9
137.13226	4.3
143.08568	5.4
145.10115	55.7
147.11656	10.7
148.11937	2.8
149.09618	5.0
149.13251	3.2
151.11137	3.0
157.10100	4.0
159.11644	52.4
161.13228	69.9
163.11169	4.6
173.13231	10.9
175.14809	11.4
177.12755	4.7
177.16336	5.3
185.01952	2.4
189.16408	3.5
191.17938	4.7
193.15857	22.3
201.16412	37.8
217.15846	4.4
219.17432	45.6
235.16948	8.4
237.18486	15.2
241.72112	2.1
272.57910	2.5
352.05383	2.5
353.28284	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	405.139
Annotation	Forsythide 8-methyl ester
Peak:m/z	Relative Intensity
54.49627	1.0
55.01875	2.3
56.96547	1.2
61.02911	12.2
65.03918	2.4
67.05483	5.6
68.88078	1.1
69.03402	8.2
75.47272	1.1
79.05465	2.5
81.03402	2.6
85.02897	15.0
91.05460	12.1
95.04970	10.4
97.02857	6.2
97.06495	1.5
103.05437	1.3
107.04945	9.2
109.06516	9.4
110.03460	1.2
111.04433	2.2
113.06000	1.6
119.04903	6.0
123.04409	14.3
125.02297	2.3
127.03927	2.2
133.02809	12.1
137.05959	23.7
140.04659	100.0
141.05437	2.8
142.02660	1.6
147.04388	7.2
153.05444	2.1
155.07008	59.4
163.03850	2.1
165.05463	15.0
167.07053	5.8
168.07506	1.6
169.04938	7.0
171.06531	6.2
173.08069	6.5
179.07014	8.5
180.04129	17.9
181.04913	64.5
193.05000	16.1
195.06538	9.5
197.08089	6.0
207.06500	21.4
225.07555	13.6
243.06056	2.1
243.08571	57.9
243.80794	1.4
303.16824	1.4
405.17123	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57492	0.2
50.92548	0.2
54.15681	0.2
55.05512	1.5
56.11935	0.2
56.34200	0.2
57.03423	1.8
57.07066	0.5
59.78688	0.2
60.64249	0.2
66.48981	0.2
67.05510	0.9
69.03424	0.5
69.07055	1.5
71.04985	1.2
72.53952	0.2
73.06539	0.5
73.69998	0.2
79.05485	2.9
79.96814	0.2
81.03399	0.2
81.07034	4.1
83.04977	0.5
85.02893	2.5
90.81903	0.2
91.05455	2.3
93.07026	17.3
95.04959	0.3
95.08585	6.6
97.02881	0.3
97.06524	0.8
99.04449	1.1
105.07008	4.5
107.08581	28.5
109.06490	0.9
109.10150	2.9
111.04429	0.4
111.08060	1.0
112.08359	0.2
117.07037	0.3
119.08561	7.2
121.06458	0.2
121.10113	6.1
123.08064	2.3
123.11670	0.2
125.05962	1.1
125.09591	0.3
133.10114	2.8
135.11674	100.0
137.09602	1.0
137.13252	2.7
137.20631	0.2
139.07520	0.9
139.11168	1.1
145.10115	0.8
147.07994	0.3
149.09636	0.2
153.12733	19.1
161.09641	0.3
161.13237	17.0
163.11095	1.5
163.14850	0.3
179.14287	5.2
181.12207	71.0
181.86411	0.2
182.12575	0.4
189.12717	0.5
207.10257	0.2
207.13791	3.3
225.14827	4.6
246.76324	0.2
333.24060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85249	0.7
53.03943	0.7
53.33444	0.6
54.81660	0.7
55.05484	0.7
55.56602	0.7
57.03427	1.1
57.33892	0.6
61.02903	0.7
62.33537	0.7
65.90923	0.7
67.05501	0.6
69.03413	2.9
74.01948	0.7
76.55969	0.8
78.32560	0.7
78.61422	0.7
79.05451	0.8
81.03400	0.9
81.07040	1.3
82.58475	0.7
83.94526	0.7
85.02893	9.0
91.02299	0.8
91.05457	3.9
93.07016	11.2
95.04916	1.0
95.08576	4.2
97.02898	1.0
97.06519	0.7
99.04438	1.0
100.70305	0.8
105.07013	6.2
107.08588	6.6
109.06464	1.5
119.08530	4.6
121.10119	19.4
123.08050	12.9
131.08536	9.2
137.09644	5.2
145.10107	1.3
147.11661	4.4
149.09593	100.0
156.09329	0.8
159.11623	0.8
161.13217	3.7
165.09001	0.9
165.12776	1.2
167.10641	52.6
171.11667	1.0
174.61305	0.9
184.34373	0.8
189.12715	4.4
207.13747	8.0
210.77274	0.9
225.14799	5.0
247.55585	0.7
294.12622	0.9
329.15964	1.8
381.99277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72022	0.4
55.05498	1.0
67.05486	0.5
69.03408	1.9
79.05473	0.7
81.07036	1.0
83.04958	0.5
85.02892	8.5
85.11916	0.4
91.05461	3.9
93.07021	3.1
95.04935	0.6
95.08584	0.9
103.05445	0.5
105.06371	0.8
105.07022	17.5
107.08584	4.4
109.06516	1.9
117.06989	2.9
119.08562	26.2
121.10109	3.2
123.08036	0.6
123.11692	1.8
125.09601	0.8
128.06158	0.7
129.06979	0.5
130.07771	4.0
131.08522	4.2
133.05525	0.9
133.06467	11.2
133.10110	1.1
135.08099	0.5
139.11198	0.5
139.70470	0.5
141.06976	0.6
143.08542	2.5
145.10110	26.2
146.10866	0.7
147.08025	2.8
147.11664	37.1
149.09639	0.7
156.09322	9.1
156.10538	0.7
156.11115	0.5
159.07990	2.0
159.11656	1.8
161.09581	0.7
161.13228	1.0
163.11151	0.5
164.39754	0.5
167.10498	0.5
168.98476	0.4
171.11661	7.0
174.10361	3.4
181.08319	0.5
189.12712	100.0
190.13155	0.6
207.13774	14.2
339.16901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42952	1.0
53.03939	1.6
54.81330	1.2
55.01857	2.8
55.05507	9.0
57.03427	1.9
57.21058	0.9
59.04989	1.2
61.02908	4.4
67.05494	9.4
67.14515	1.1
69.03414	18.8
69.07051	4.8
71.04976	13.7
75.88155	1.0
77.21284	1.1
79.05468	13.4
81.03369	5.1
81.06594	2.1
81.07039	37.1
83.04958	5.0
85.02892	27.9
85.06532	2.4
91.05463	22.7
93.07026	39.0
95.04935	7.0
95.08579	14.4
97.02872	23.1
97.06493	4.9
99.04439	31.4
99.07498	1.3
105.07016	84.4
107.04942	5.8
107.08581	30.7
109.02895	1.7
109.06501	11.5
109.10129	15.5
111.08051	8.0
117.06960	1.5
119.04936	5.6
119.08559	22.0
121.06499	8.8
121.10120	6.4
123.08059	11.5
123.11678	2.6
125.05961	6.8
127.03883	2.7
128.06172	5.9
131.08536	4.5
133.06474	11.5
133.10114	100.0
135.08009	1.8
135.11656	17.9
137.05963	13.1
137.09610	7.5
143.08534	14.9
145.04910	1.5
145.10107	7.6
146.07242	5.3
147.08055	2.9
149.13322	1.6
151.07507	9.9
151.11131	7.7
151.14833	2.1
153.09105	1.6
161.09589	97.8
161.13168	2.0
163.11142	34.1
165.09085	5.6
171.08026	4.8
174.06743	1.3
175.14812	4.5
179.10638	36.1
179.14241	1.6
189.09085	25.7
193.15808	6.2
207.10139	24.1
207.13795	6.4
211.16957	13.5
225.11189	53.2
225.14786	5.1
246.49416	1.3
256.13608	1.3
272.04401	1.2
328.54974	1.2
405.26218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19206	0.8
53.03946	0.9
53.09256	0.8
55.01870	1.2
55.05513	6.9
55.05730	0.8
56.96553	1.2
57.03419	1.8
57.07065	2.0
61.02907	1.3
67.05497	10.1
69.03407	2.4
69.07047	8.6
71.04987	3.3
73.02903	1.2
79.05470	10.9
81.03393	1.2
81.07047	19.3
83.04967	4.6
83.08627	1.8
85.02898	7.1
85.06535	3.7
86.72356	1.0
91.05463	14.3
92.08936	5.2
93.07024	25.3
95.04955	7.2
95.08588	22.1
97.02860	1.9
97.06520	3.7
99.08078	2.1
105.07011	33.8
107.04928	4.9
107.08583	20.7
109.06493	7.4
109.10130	7.4
111.04483	1.2
115.05378	1.0
117.06997	1.9
119.08564	39.9
121.06481	4.6
121.10124	28.5
123.08073	7.2
123.11674	5.8
127.07553	1.2
129.06990	1.4
131.08524	5.5
133.06464	4.5
133.10127	19.9
135.08041	6.4
135.11644	3.9
137.05919	1.7
137.09592	1.4
137.13225	1.3
143.08504	1.8
145.10130	5.4
147.08031	6.1
147.11676	12.8
149.09587	1.6
149.13196	1.4
151.07466	3.7
151.11172	1.6
156.09335	1.7
159.11670	2.0
161.13235	100.0
165.12721	5.3
167.06981	2.1
168.07449	1.2
171.11606	2.1
179.14282	47.8
189.12724	12.8
207.13779	28.3
225.14851	12.2
242.08080	1.0
339.11133	1.3
420.27826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01849	1.1
57.03413	2.0
61.02921	4.3
69.03413	5.9
71.04955	0.6
73.02892	1.0
81.03399	3.9
85.02893	24.7
87.00790	0.7
87.04442	0.6
88.21675	0.4
88.32971	0.5
91.03926	0.9
91.05461	21.5
92.08758	0.5
95.04950	1.0
97.02871	8.3
99.04430	0.8
103.05443	1.8
104.15531	0.5
107.48539	0.4
109.02874	2.0
118.04176	1.9
119.04918	37.1
121.06465	0.6
123.04439	1.0
127.03894	4.4
131.04825	0.5
132.02039	0.6
137.05965	0.8
145.02803	0.4
145.04945	3.4
146.03607	0.8
147.04391	32.4
149.02313	2.4
157.03902	3.8
164.04669	2.8
174.03117	0.6
175.03873	56.0
177.01709	0.5
179.07056	3.4
180.08604	3.4
192.04135	18.8
193.04913	0.9
198.24477	0.5
205.90875	0.5
207.06496	100.0
208.06786	0.6
225.07542	33.6
411.85214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43890	0.7
60.04509	1.3
69.03418	4.1
79.05459	1.0
79.61874	0.8
81.03398	1.7
81.07057	1.4
82.80865	0.8
83.04944	0.7
85.02894	16.9
91.05470	23.8
93.07040	1.3
97.02893	2.2
97.72877	0.8
105.07024	3.9
107.08606	2.0
109.10091	1.0
119.04930	33.9
119.08572	2.1
121.10129	0.9
123.11685	6.3
133.10094	1.3
147.03322	1.7
147.04401	30.7
147.11694	1.6
149.02336	1.4
149.09578	1.4
157.03998	1.6
161.13144	1.0
164.04663	2.1
167.07106	1.4
175.03877	46.0
179.06979	1.8
180.08676	1.6
189.12639	1.5
192.04140	19.1
207.06509	100.0
207.13840	6.7
219.13997	0.8
225.05400	1.5
225.07564	29.4
225.14909	1.1
256.31815	0.9
267.08771	1.0
384.33154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01863	2.3
55.05505	17.6
57.07066	8.6
59.04964	1.9
63.40644	1.8
64.08210	2.0
65.03966	2.5
67.05498	42.0
67.21306	1.5
69.03432	6.8
69.07059	25.6
71.04984	3.4
75.20283	1.8
79.05025	2.1
79.05476	53.5
81.07042	86.7
83.04974	4.5
83.08604	4.6
84.24459	2.0
85.06504	2.7
91.05466	53.4
93.03378	2.2
93.07024	71.0
93.07571	3.9
95.04942	21.4
95.08589	40.4
97.02827	2.7
97.06519	3.9
105.07020	100.0
105.79041	1.7
107.04939	7.8
107.08583	78.6
109.06493	17.4
109.10143	22.3
111.08067	4.5
117.07017	11.1
119.08560	47.0
121.06481	13.6
121.10103	25.3
121.38230	1.7
123.04427	3.1
123.08057	13.2
123.11703	12.5
125.09563	2.4
128.06201	4.1
129.07001	10.6
131.08549	27.3
133.06464	3.2
133.10126	60.5
135.08031	17.5
135.11684	34.2
137.06017	2.3
137.09561	6.7
137.13278	4.4
139.07529	2.8
142.07758	4.9
143.08527	22.5
145.06454	1.9
145.10126	19.9
147.08038	11.3
147.11647	19.0
149.09601	12.3
149.13214	3.2
151.07504	3.2
151.11180	4.8
153.09129	3.2
156.09319	2.8
157.10161	13.6
159.11665	14.8
161.09592	19.9
161.13277	4.6
163.11165	11.8
165.09129	4.2
171.11642	2.7
173.09723	2.3
175.11177	10.0
175.14757	2.6
187.14761	3.8
189.16437	11.3
191.14307	2.6
199.14877	8.9
205.15897	2.3
217.15918	10.0
233.15205	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	403.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
54.81851	1.4
55.01854	6.5
55.05506	66.9
57.03431	12.4
57.07069	75.0
59.04962	1.5
67.05491	41.6
69.03419	3.7
69.07054	100.0
71.04963	8.5
71.08254	1.7
71.08619	44.0
73.06530	3.4
74.82576	1.6
78.13797	1.3
79.05478	31.8
81.07040	74.3
83.04975	11.9
83.08604	55.2
85.06530	6.4
85.10162	17.5
91.05478	22.4
93.07023	70.1
95.04934	8.5
95.08585	56.6
97.06509	21.6
97.10154	42.2
99.04406	2.0
99.08109	2.5
99.11730	1.8
103.05434	2.0
105.07013	34.9
107.04893	1.9
107.08579	62.8
109.06487	9.5
109.10143	35.0
111.08098	13.9
111.11691	8.6
115.07531	1.7
117.06994	10.1
119.08572	25.3
121.06494	11.1
121.10125	40.8
123.08064	7.0
123.11681	18.4
125.09602	12.8
125.13265	2.0
129.06969	2.4
129.09120	1.7
131.08522	20.4
133.06476	3.3
133.10103	17.7
134.10396	1.7
135.08038	9.9
135.11674	35.8
137.09636	2.4
137.13197	2.5
139.07466	1.8
139.11125	7.9
143.08537	6.0
145.10103	28.1
147.08026	2.8
147.11670	8.8
149.05879	1.8
149.09590	7.2
149.13214	18.5
151.11046	2.2
153.09108	1.7
153.12688	3.6
156.09354	1.5
157.10147	6.0
159.08014	1.9
159.11668	10.3
161.09586	3.1
161.13228	2.6
163.11108	2.5
163.14781	10.3
165.09119	1.9
167.14291	6.4
171.11635	1.9
173.13219	2.9
175.11058	3.7
177.16338	6.7
181.58344	1.6
185.13205	2.0
185.15372	2.1
187.14789	2.2
189.16405	2.9
191.17970	2.2
195.17429	3.6
199.14772	2.3
201.16364	3.7
205.15880	2.2
208.39308	1.7
209.19025	2.6
215.14273	74.5
217.15881	3.8
219.17418	7.1
219.94749	1.7
228.94424	1.7
233.15395	2.2
235.16910	2.6
249.11111	1.6
251.16177	2.0
275.27261	13.5
293.28293	21.4
294.55737	1.5
311.29568	2.2
367.25919	1.6
367.32013	11.8
378.97430	1.6
385.27823	5.1
385.33008	93.1
403.23877	2.1
403.28705	2.6
411.42389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
54.46693	2.3
55.01863	4.3
55.05503	11.7
56.06908	2.2
56.10357	2.2
57.07062	15.7
59.04987	2.9
59.13491	2.3
64.16915	2.2
67.05488	31.6
69.03422	6.3
69.07048	28.0
70.06568	24.4
71.04968	4.5
71.08622	2.5
71.81621	2.6
79.05469	30.0
81.07039	65.7
82.24857	2.3
83.01093	18.0
83.04972	13.9
83.08617	3.3
85.06522	3.0
88.07609	24.0
91.05448	42.4
91.94733	3.5
92.63231	2.7
93.07027	84.8
93.07571	5.2
95.04942	23.9
95.08584	32.9
97.06512	3.9
99.04420	3.8
102.09174	14.4
105.07021	71.4
106.03926	3.8
107.04915	5.2
107.08582	66.7
107.59091	2.9
109.06514	18.6
109.10165	23.6
111.08051	3.1
117.07008	12.4
119.08567	36.5
121.06464	6.8
121.10120	30.2
123.08064	3.5
123.11725	12.8
128.06219	3.3
129.01799	3.5
129.06966	11.4
131.08549	30.1
133.06247	3.7
133.10100	44.5
134.10449	4.5
135.08005	12.0
135.11685	31.9
137.05949	4.7
137.09633	5.7
139.07521	3.7
139.11307	2.8
143.08598	6.1
145.10117	24.7
147.07993	4.3
147.11667	12.2
149.09634	16.6
149.13229	4.8
151.07349	5.7
151.11191	14.9
155.08572	5.6
156.09354	2.7
157.10124	16.1
159.07922	3.6
159.11674	12.3
161.09467	21.3
163.11078	3.4
169.10112	4.8
171.11623	6.6
173.09550	4.5
173.13242	12.0
174.10144	10.6
175.10928	100.0
177.08977	3.5
179.10664	3.9
187.14684	3.8
189.16360	6.1
191.10388	13.4
193.12012	4.5
199.14989	3.4
205.12057	4.3
205.15892	3.2
217.15891	18.0
219.09866	21.5
219.17508	13.0
233.15382	12.3
234.12236	55.8
235.13089	4.2
243.13571	10.6
251.16466	4.8
258.53497	2.8
325.81622	3.2
340.35709	28.2
341.36005	32.3
343.22464	46.9
367.26273	4.4
385.27448	14.1
402.39383	50.2
403.23965	19.2
403.39737	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
54.81366	0.4
55.01851	0.8
55.05503	2.7
57.07067	12.7
61.02913	3.7
67.05492	4.2
68.99777	11.8
69.03419	0.9
69.07070	4.3
70.06581	4.6
71.04989	0.8
79.05473	5.9
81.07046	9.2
83.01086	6.0
83.04971	0.8
87.00814	2.7
88.07619	6.6
91.05463	7.0
93.07017	10.2
94.66255	0.6
95.04958	3.5
95.08602	5.6
97.06532	1.0
97.91896	0.6
102.09148	4.4
105.07007	11.7
107.08583	8.9
109.06518	2.3
109.10143	3.7
111.00784	11.4
111.08107	1.1
117.06987	1.0
119.08555	5.3
121.06503	1.2
121.10146	3.4
123.08063	1.1
123.11658	2.0
129.01816	100.0
129.06989	0.8
131.08549	4.5
133.06470	0.8
133.10077	7.5
135.08060	1.2
135.11632	3.3
137.09601	0.7
139.00241	21.3
139.85551	0.5
143.08578	0.9
144.42369	0.6
145.10118	4.8
147.08006	1.0
147.11652	1.0
149.09630	3.6
149.13324	0.7
151.11107	0.8
157.01302	22.4
157.10121	2.4
159.11722	1.2
161.09473	5.0
161.13246	0.7
161.84126	0.7
163.11075	0.7
165.09201	0.6
165.44124	0.6
169.10156	0.6
173.13300	1.1
174.10130	6.2
175.02347	0.9
175.10944	4.2
176.10634	0.6
177.12813	0.7
179.10597	0.7
185.08066	20.0
187.14880	0.6
189.08913	0.9
189.16380	1.0
191.06706	0.6
201.16391	0.8
205.11975	6.2
213.07619	3.6
216.75069	0.5
217.03333	5.0
217.15929	1.2
219.17435	1.0
221.11458	1.2
234.12245	13.7
259.15335	8.4
266.11221	1.1
340.35696	10.7
341.35956	7.4
343.22345	6.0
356.70535	0.6
385.27563	0.8
402.39307	13.5
403.23923	1.1
403.28671	1.0
403.39716	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	403.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39489	1.3
55.01869	2.1
55.05501	12.9
56.96563	13.6
56.96782	2.0
57.03463	1.6
57.03786	1.2
57.07047	7.9
60.95844	1.5
65.03916	2.1
67.05494	19.5
69.03377	2.1
69.07055	16.9
71.04961	6.0
75.47826	1.4
79.05472	17.0
81.07037	46.2
82.07340	1.6
83.04955	2.8
83.08585	1.8
84.96001	2.2
85.06537	1.9
91.05464	25.5
92.05804	2.0
92.08720	3.3
93.07020	36.8
95.04951	12.4
95.08595	24.3
97.06498	3.7
103.05434	1.7
105.04436	2.0
105.07021	37.5
107.04922	2.1
107.08564	42.9
109.06499	8.8
109.10149	14.9
111.08076	2.5
117.06988	7.5
119.08553	28.3
121.06465	11.2
121.10121	15.8
123.08040	7.4
123.11655	8.4
129.06987	3.1
131.04895	8.2
131.08553	18.4
133.10121	16.2
135.04161	1.9
135.08017	10.6
135.11673	14.1
137.05901	2.0
137.09595	3.1
143.08508	3.3
145.10080	14.8
147.08020	1.6
147.11662	13.4
148.08588	2.2
149.05751	2.0
149.09584	7.0
149.13239	2.2
151.07256	1.6
151.11169	2.1
155.08495	1.6
157.10083	7.5
159.11653	7.9
161.09526	2.2
161.13191	2.9
163.11168	2.6
167.06735	3.5
171.11607	2.3
173.13231	2.8
175.11153	2.8
175.14754	3.3
177.08838	100.0
177.12752	2.5
177.16391	1.9
191.10832	1.9
201.16307	6.2
205.11963	7.3
217.15877	3.6
219.17397	2.6
233.11380	2.8
235.12921	2.0
236.10324	1.5
249.14728	1.9
251.16423	2.3
259.16638	10.3
261.14545	2.4
267.12540	7.3
275.16165	6.1
281.29593	1.7
285.13638	7.0
293.14194	10.5
293.17105	7.0
309.13568	2.9
311.15213	21.3
329.16589	2.0
343.22214	1.6
357.23935	12.5
403.24493	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	403.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19606	4.4
55.05496	27.0
57.07067	9.6
59.04995	6.8
62.93015	4.4
67.05498	44.4
69.03410	12.8
69.07050	31.9
70.28767	4.1
79.05495	47.2
81.07045	83.1
83.04948	6.5
83.08633	7.4
85.06513	4.8
91.05460	58.1
92.09311	5.7
93.03171	7.7
93.07026	84.6
94.07378	6.3
95.04973	19.7
95.08575	45.0
105.07016	70.6
107.08580	75.1
109.06509	19.7
109.10156	29.3
117.06993	11.2
119.08582	48.2
121.06425	7.1
121.10142	27.9
123.08099	9.2
123.11701	19.8
131.08569	32.5
131.19205	6.0
133.10098	42.5
135.08011	11.8
135.11700	37.2
137.09610	7.3
143.06010	6.4
143.08556	20.2
145.10162	38.8
147.08011	7.1
147.11696	12.2
148.08611	6.4
149.09595	22.3
151.11118	7.2
157.10144	10.4
159.11664	11.5
161.09668	7.1
161.13252	6.8
175.11160	5.2
177.08821	44.7
201.16418	5.5
205.11969	5.6
218.59076	5.4
259.16684	19.3
261.14655	59.5
275.16046	11.1
287.19827	7.9
357.23914	30.4
371.21872	12.3
385.27646	6.0
403.24460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	3.1
55.05489	1.9
56.96554	1.0
57.07050	0.7
58.47857	0.7
59.04979	0.8
61.02900	1.2
65.17693	0.7
67.05479	4.4
67.15836	0.8
69.03415	19.3
69.07052	7.1
71.04975	1.4
72.08131	1.9
74.75170	0.7
77.03874	0.9
79.05467	4.2
80.12309	0.7
81.03396	1.9
81.07024	4.6
83.04964	9.7
85.02885	10.5
85.06527	3.5
86.09686	1.8
86.91811	0.8
88.11657	0.7
91.05467	17.9
93.07023	79.0
95.04952	10.6
95.08586	5.5
96.12900	0.8
97.02863	4.2
97.06512	4.6
99.87453	0.8
103.05431	3.3
105.04491	0.8
105.07027	6.0
107.04945	1.2
107.08586	3.4
109.02845	1.1
109.06480	4.1
109.10152	5.4
111.04390	1.0
111.08033	4.2
117.07036	2.7
119.08560	6.6
121.06483	100.0
121.10121	1.7
123.04445	1.6
127.03846	1.2
127.07495	6.6
129.06973	1.6
131.08545	3.3
133.10109	3.2
135.08023	3.6
135.11684	1.0
135.82184	1.0
137.09589	4.1
139.07507	4.5
144.09297	1.3
145.04904	1.1
145.10149	3.2
147.08040	1.4
149.05937	0.9
149.09564	4.5
154.04961	1.5
155.10628	3.6
159.11673	10.8
160.24429	0.9
163.11195	1.8
167.06995	19.9
175.11168	3.8
177.12753	3.7
179.10634	1.1
187.11134	1.8
193.12384	0.9
205.12219	33.3
205.14166	1.2
223.11617	1.0
223.13332	12.4
240.12262	1.5
241.12509	1.7
333.07840	10.6
335.05594	1.0
335.09384	5.6
403.15579	23.3
403.19791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.0
53.12490	1.8
54.81812	2.2
55.01866	2.1
55.05495	9.1
56.98132	2.1
57.07067	2.4
57.80912	2.1
67.05492	15.4
69.07060	11.3
70.83733	2.1
71.04961	5.5
71.56175	2.1
72.41150	2.0
75.39569	2.1
79.05479	25.2
81.07033	36.1
83.04959	8.9
83.08630	2.4
85.06522	4.1
91.05453	27.7
92.09227	2.7
93.07030	48.3
94.07340	2.0
95.04955	11.8
95.08573	19.4
97.06480	4.9
105.07018	34.6
107.08578	38.5
109.06496	5.6
109.10141	14.1
117.06978	4.9
119.08548	28.2
121.06541	2.3
121.10111	14.3
123.11696	8.6
129.06973	2.9
131.08542	16.7
133.10117	31.1
134.49770	2.0
135.07990	2.6
135.11612	17.1
141.06868	2.8
142.07716	2.7
143.08546	2.6
145.10168	19.4
147.08113	3.1
147.11673	12.4
149.09592	8.6
151.11165	3.3
153.08995	2.6
153.56650	2.4
155.08557	3.1
157.10120	5.5
158.07243	2.4
159.11647	9.4
161.09589	3.2
165.09071	4.1
171.11636	3.4
173.13177	8.3
175.11180	8.4
177.08838	37.0
185.13290	2.7
187.14771	2.9
199.14705	3.8
201.16325	2.8
205.11963	11.6
213.07642	2.3
215.14259	2.9
217.11983	4.9
217.15868	3.5
233.15251	2.6
250.18944	2.4
250.21754	2.4
259.16699	4.3
261.14557	100.0
276.17065	2.8
277.17734	9.6
312.03656	2.5
357.23941	37.0
367.26205	4.1
403.24377	37.3
403.28818	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.6
53.03926	2.2
55.01861	4.3
55.05493	4.4
56.96549	0.5
57.03417	3.4
57.07062	1.0
59.04971	0.7
61.12544	0.5
65.03920	2.3
66.04703	0.7
67.05490	6.7
69.03401	3.3
69.07056	5.0
71.04951	3.3
75.04465	1.0
77.05864	0.5
79.05470	19.2
81.03432	0.7
81.07035	12.5
83.04959	3.4
83.08590	1.4
85.06489	1.1
90.04634	0.8
91.05460	25.3
92.06233	1.1
92.08603	0.7
93.03377	1.0
93.07020	22.4
94.04160	0.6
94.07339	1.1
95.04947	11.5
95.08579	8.2
97.06490	3.3
97.10172	0.8
102.04701	0.7
103.05445	18.7
104.06204	1.2
105.03382	0.6
105.04484	1.0
105.07008	41.0
107.04926	5.8
107.08570	12.7
108.05726	2.4
109.02847	4.0
109.06493	7.9
109.10145	6.1
111.04464	0.8
111.08053	1.1
115.05424	3.4
117.06994	4.2
118.03285	1.3
118.04137	34.1
119.04939	4.5
119.08564	9.7
120.05687	3.2
121.06483	18.1
121.10140	6.8
122.07251	3.9
123.04334	0.8
123.08028	3.3
123.11677	3.1
124.05189	13.4
125.05956	2.3
125.09624	0.8
128.06165	0.9
129.06976	2.5
131.04877	5.1
131.08565	5.6
132.05608	1.2
133.06468	47.3
133.10100	7.6
134.07280	4.7
135.04385	5.9
135.08037	9.5
135.11691	5.0
137.05931	6.9
137.09595	1.4
139.03838	4.2
139.07526	0.7
142.07802	0.8
143.08525	2.8
145.10109	6.8
147.04395	2.2
147.07982	1.2
147.11606	4.5
148.05148	1.2
149.05951	7.1
149.09596	3.1
149.13208	0.7
150.06747	17.0
151.03867	1.2
151.07520	7.9
151.11209	2.4
154.06215	17.8
155.08572	0.7
157.10114	3.3
159.11656	3.7
160.81065	0.6
161.05939	8.4
161.09605	1.1
161.13260	0.7
163.07510	3.3
163.11150	1.2
165.09082	22.0
165.10460	0.7
166.06169	4.7
167.06947	4.3
167.08195	0.6
171.11600	2.3
173.09572	0.8
173.13249	2.3
175.07501	0.8
175.11143	2.3
177.05432	4.6
178.06169	1.1
179.06969	7.9
181.04921	13.4
181.08545	26.1
181.10146	0.9
183.11559	0.8
185.13168	0.9
189.12814	0.6
193.08563	100.0
194.09247	2.8
201.16342	1.3
209.08060	16.3
210.08844	16.5
215.14246	0.7
217.15839	1.2
221.11720	1.4
293.17181	0.7
367.22290	0.8
367.26401	1.0
385.27472	1.1
403.24384	11.1
403.28784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
53.00295	0.2
53.03942	0.7
55.05516	1.6
57.07067	1.0
65.03924	0.2
66.82528	0.1
67.05488	1.3
69.03417	10.6
69.07053	1.3
71.04974	0.3
77.03903	0.2
78.03384	0.1
79.05475	3.7
79.16657	0.2
81.07037	4.1
83.04967	1.3
83.08608	1.0
83.48620	0.2
85.06513	0.4
91.05461	3.0
93.07024	16.8
94.07342	0.2
95.04949	2.0
95.08582	2.2
95.48042	0.2
97.06499	0.2
97.10123	0.3
99.08017	0.2
103.05452	47.6
104.05777	0.2
105.04473	0.3
105.07005	4.3
107.08584	9.7
109.06493	1.0
109.10151	1.7
111.08088	0.2
117.06978	0.9
119.08570	5.0
121.06506	0.2
121.10126	26.6
123.08073	0.8
123.11681	0.8
125.09618	1.4
127.11208	0.2
129.06967	0.2
130.07759	0.2
131.04910	100.0
131.08580	1.4
132.05255	0.3
133.10101	1.9
135.08017	0.4
135.11673	12.8
143.08531	0.7
145.10112	3.7
147.03145	0.2
147.11671	0.7
149.05878	0.2
149.09593	1.0
149.13229	0.3
151.11166	2.0
159.11653	1.6
161.09579	0.2
161.13197	0.9
163.11147	5.5
171.11649	0.2
173.13237	0.2
175.14821	0.3
177.16341	0.3
191.13913	0.2
191.17932	0.8
201.16322	1.5
216.14636	0.2
219.17413	4.4
231.10046	0.2
237.32164	0.2
318.18234	0.2
401.38074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.2
53.03932	0.4
55.01855	0.2
55.05503	1.9
57.03422	0.2
57.07066	0.4
65.03914	0.2
67.05475	1.5
69.03413	10.4
69.07046	1.4
71.04963	0.3
76.00386	0.2
77.03928	0.2
79.05465	3.8
81.07029	4.3
83.04960	1.2
83.08610	0.4
85.06531	0.3
88.07593	0.4
91.05460	2.9
92.08724	0.4
93.07019	16.8
94.07342	0.3
95.04961	1.5
95.08586	2.2
96.14479	0.2
97.06523	0.2
97.10131	0.2
98.21902	0.2
103.05444	44.2
104.05730	0.2
105.07002	4.9
106.07331	0.3
106.47999	0.2
107.08572	9.0
108.08916	0.2
109.06478	1.1
109.10153	1.4
117.07001	1.0
119.08559	5.3
121.06485	0.8
121.10113	26.2
122.10461	0.2
123.08092	0.4
123.11683	0.9
125.09611	2.0
131.04898	100.0
131.08568	1.3
132.05240	1.0
133.10092	1.7
134.10423	0.3
135.08015	0.5
135.11659	12.2
145.10098	3.2
147.11636	0.8
149.09579	0.3
149.13229	0.4
151.11157	1.8
157.10031	0.3
159.11674	1.6
161.13190	0.8
163.11171	5.7
168.47829	0.2
173.13191	0.3
177.12750	0.9
177.16325	0.4
191.17924	1.4
201.16405	2.0
219.17366	4.6
220.36954	0.2
339.34341	0.4
401.38034	0.9
402.38391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35435	0.3
51.02366	0.3
51.91708	0.2
53.03933	1.1
53.55864	0.3
55.01870	3.1
55.05495	2.2
57.03418	1.4
60.37729	0.3
64.92932	0.3
65.03918	0.7
67.05492	3.3
69.03409	0.7
69.07041	1.7
71.04969	0.7
73.73846	0.3
77.03912	0.4
79.05476	14.0
81.03427	0.4
81.06669	0.3
81.07043	6.0
83.04961	1.6
83.08592	0.3
84.94456	0.3
85.06516	1.3
91.05460	11.1
92.64107	0.4
93.07023	8.9
94.04175	0.4
95.04951	3.7
95.08566	2.6
97.06509	0.7
99.04448	0.4
103.05449	8.9
104.06229	0.8
105.04488	0.6
105.07014	47.5
106.07325	0.4
107.04935	5.2
107.08576	5.0
108.05700	0.4
109.06529	3.4
109.10149	1.4
111.04395	0.5
111.08080	0.4
114.37293	0.4
115.05460	2.7
117.06994	2.2
118.04157	6.2
119.04936	2.5
119.05814	0.3
119.08533	3.5
120.05709	3.3
121.06488	4.8
121.10138	2.6
122.03575	0.4
122.07285	3.4
122.10944	0.3
123.08060	0.7
123.11687	0.6
124.05193	1.3
125.34225	0.3
129.06963	0.4
130.07727	0.3
131.04912	2.0
131.08548	2.6
132.05687	1.6
133.06471	37.4
133.10092	3.1
134.07297	2.6
135.04410	3.4
135.08037	6.1
135.11638	1.5
137.05966	13.1
137.09595	0.8
139.03874	1.4
145.10130	2.3
147.04393	0.5
147.08035	1.4
147.11644	0.5
148.05186	2.9
149.05948	2.3
149.09627	0.6
149.13214	0.6
150.06740	15.2
150.07883	0.6
151.07489	1.9
151.11133	0.4
154.06224	3.9
157.10112	0.6
159.11661	0.7
161.13258	0.6
163.07614	0.4
165.09084	27.4
166.06190	0.6
167.06970	1.3
177.05429	0.5
177.08812	4.5
177.94086	0.3
178.06233	2.8
179.07008	2.7
181.04979	3.8
181.08554	4.4
193.08572	100.0
194.09290	5.0
209.08058	2.3
210.08856	3.3
261.18457	0.4
280.95270	0.4
293.17197	0.5
295.00235	0.4
299.94031	0.4
353.85901	0.3
403.24472	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	402.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06915	0.6
53.03930	1.0
55.01864	1.3
55.77442	0.5
56.96555	0.8
57.03419	3.4
57.07058	3.6
61.02915	4.1
65.03928	1.3
66.23920	0.5
67.05493	1.2
69.03415	9.3
69.07034	0.6
71.04968	2.4
73.02895	2.6
79.05460	3.3
81.03404	4.0
81.07028	4.9
83.00777	0.5
83.01276	0.6
85.02891	38.4
85.06530	19.8
86.09679	0.8
87.04459	0.8
91.03936	3.1
91.05462	4.7
93.03410	0.6
93.07014	4.4
95.04934	1.3
95.08583	2.5
97.02881	8.9
97.06509	2.4
97.21424	0.5
99.04440	2.4
105.06996	4.8
107.04903	0.6
107.08569	3.1
109.02856	2.8
109.10130	1.0
111.08044	0.6
115.03850	0.6
119.08572	2.8
121.02842	100.0
121.10096	1.4
122.03162	0.7
125.11008	0.6
127.03886	7.0
131.08528	2.5
133.10095	1.2
135.07977	0.9
139.03883	78.1
145.04950	8.4
145.10103	0.9
149.02325	54.6
152.62910	0.6
159.11630	0.8
161.09558	0.5
163.05937	2.2
163.07387	0.7
167.03371	2.4
223.09604	4.4
229.10730	1.0
238.47784	0.6
300.14865	0.5
402.26886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05499	5.3
67.05491	1.4
68.16163	0.6
69.03406	9.8
69.07049	3.4
70.60414	0.7
71.04987	1.5
75.97963	0.7
79.05467	4.8
81.07021	3.4
83.04933	0.7
85.02897	5.0
89.74886	0.8
91.05440	6.9
93.07013	13.7
94.07342	1.0
95.04942	4.2
95.08572	4.3
97.02844	0.9
103.05437	1.1
105.07011	13.6
107.04944	4.4
107.08575	23.0
109.06513	5.3
109.10143	4.1
115.05457	1.0
117.06971	6.1
119.08555	7.9
121.06477	100.0
121.10112	7.0
123.08088	1.1
129.06985	4.5
130.07753	1.6
131.08545	10.6
133.06467	1.5
133.10098	3.0
135.08020	11.0
135.11664	9.3
137.12410	0.7
143.08563	1.0
144.09312	7.0
145.06595	0.9
145.10094	19.7
146.07199	0.9
147.08075	0.9
147.11623	0.7
149.05978	1.2
149.13208	5.5
157.10126	1.3
158.07275	0.9
159.08057	3.4
159.10358	1.5
159.11662	37.1
161.09584	7.3
163.11180	1.8
164.60094	0.8
169.07581	0.9
172.08772	4.6
175.11136	0.8
177.12685	12.1
187.11128	11.4
205.12206	76.8
219.17340	0.8
220.17790	3.0
221.18062	3.2
251.08061	0.9
279.07690	0.8
336.60876	0.7
368.48273	0.8
402.12485	1.6
427.34354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
67.05483	5.3
69.07055	7.4
71.35896	3.9
79.05481	9.1
81.07025	24.7
83.32840	3.9
87.04394	3.6
91.05458	17.3
93.07031	27.1
95.04939	4.9
95.08571	21.3
105.07024	24.2
107.08591	23.6
109.10136	6.9
113.52468	4.8
119.08541	17.6
121.10152	15.9
123.07841	7.6
133.10123	8.8
135.11685	4.5
145.10120	16.4
147.11653	6.0
149.09546	5.1
161.09616	4.2
165.08788	4.8
167.06831	4.0
216.14864	18.7
217.15530	31.3
252.35683	3.9
259.16660	100.0
260.17508	6.2
380.67535	4.6
401.26563	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	401.2675
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
53.03944	0.8
55.05503	6.2
62.01094	1.1
67.05497	10.1
69.03408	1.8
69.07072	7.7
71.04987	1.1
79.05479	10.8
81.07048	17.4
83.04977	1.8
83.08629	1.4
84.93597	1.0
85.06504	1.0
87.44514	1.0
87.51249	0.9
88.07630	1.9
91.05486	11.7
93.07028	19.2
95.04970	7.8
95.08602	12.8
99.04420	1.3
105.07028	19.9
107.04937	1.0
107.08576	15.3
109.06519	4.4
109.10118	7.2
117.07018	4.6
119.08572	13.9
121.06490	2.1
121.10114	8.0
123.08050	1.8
123.11693	2.2
129.07019	1.6
131.08578	8.8
133.10123	12.1
135.08032	2.2
135.11674	7.0
137.09625	1.7
143.08517	1.6
145.10097	10.4
147.08043	4.8
147.11681	5.7
149.09636	6.6
151.11142	2.2
155.08492	1.1
157.10109	4.2
159.08069	1.9
159.11702	4.9
161.09607	1.6
161.13274	1.2
163.11226	1.4
171.11681	3.8
173.09563	1.7
175.11095	4.0
175.14809	1.3
183.11694	1.5
191.14392	1.2
195.11615	1.5
203.14285	1.0
215.14340	1.8
217.15924	1.5
219.17450	1.3
233.15428	1.3
249.14642	6.7
313.41199	1.2
339.34293	1.2
341.20721	1.2
383.25592	4.8
400.37912	1.8
401.26617	100.0
401.38034	5.8
402.26868	1.5
414.50229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1546
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
55.01880	0.5
68.99780	1.7
69.03433	0.6
70.06578	100.0
79.05479	0.9
81.03391	0.4
81.07066	0.6
83.04929	0.5
85.02882	2.6
91.53101	0.4
93.07021	1.8
103.05454	0.9
106.21496	0.5
107.04964	2.9
109.02877	0.5
110.06044	2.1
119.04902	0.7
121.06493	3.7
121.10129	0.8
129.60117	0.5
131.04904	0.7
131.06831	0.8
135.04401	5.7
136.23302	0.4
139.03879	16.6
139.04910	0.8
142.68930	0.5
144.18018	0.4
145.02805	0.9
146.11951	0.4
147.04404	2.3
148.04904	0.7
148.07515	0.4
149.05962	8.7
159.04373	1.9
163.03876	12.7
165.05438	0.6
175.07544	0.7
176.07092	0.7
177.05434	68.0
181.04926	4.0
193.08395	2.4
194.08670	0.8
195.03276	0.4
205.08572	0.7
234.11212	1.0
239.08893	2.2
240.09102	1.8
275.68271	0.5
345.09564	5.7
401.14087	0.7
402.15298	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01873	4.4
55.05512	46.5
56.96558	3.8
57.03422	2.0
57.07078	3.3
59.02690	1.8
59.05000	3.1
61.67855	2.2
64.32845	1.9
65.03940	2.6
67.05502	35.0
69.03423	12.4
69.07061	21.3
70.26345	2.1
71.04986	18.4
72.07456	2.1
73.16748	1.6
79.05484	59.1
81.07041	75.1
83.04963	24.4
83.08589	3.6
85.06541	3.8
91.05469	92.8
91.06007	4.3
92.05764	2.5
93.07034	96.9
94.07407	2.4
95.04946	34.0
95.08593	37.0
97.06535	12.0
99.04426	8.6
103.05469	30.8
105.04482	3.0
105.07023	100.0
107.04959	4.9
107.08582	65.8
109.06496	19.2
109.10148	26.9
111.04450	4.4
111.08059	4.7
115.05452	4.0
117.07001	20.0
119.04965	3.0
119.07730	3.2
119.08570	84.1
121.06504	13.6
121.10114	30.0
122.10498	2.3
123.08064	12.7
123.11688	14.7
125.05955	2.3
125.09653	2.6
128.06203	11.2
129.06990	17.9
130.07782	5.1
131.04900	62.8
131.05861	2.5
131.08537	32.3
133.06503	3.7
133.10109	58.4
134.23314	2.1
135.08044	14.2
135.11662	20.1
137.09637	8.7
141.06973	2.3
141.09148	2.2
142.07779	10.6
143.08556	21.2
144.09267	3.2
145.10115	29.0
146.07271	3.4
147.08069	11.0
147.11658	18.3
149.09608	24.2
149.13274	3.1
151.11169	14.6
153.09183	2.4
155.08543	3.4
156.09378	4.8
157.10144	23.9
157.34271	2.2
158.02771	2.1
159.08025	3.3
159.11655	19.1
159.15846	2.4
161.09584	18.2
161.13255	4.9
163.11177	4.5
169.10103	3.5
171.11717	11.6
173.09639	3.8
173.13260	9.8
175.11169	8.7
175.14807	5.1
179.10657	5.4
185.13231	5.2
187.11212	3.8
187.14720	2.7
189.12782	2.9
189.16376	5.1
199.14914	8.0
201.16415	3.1
215.14284	7.8
217.15913	12.1
219.17424	2.3
278.00879	2.4
326.31998	2.5
365.24387	2.9
383.25723	9.7
401.19025	8.0
401.23163	45.1
401.27432	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.253
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
50.12094	1.1
51.64953	1.2
55.05503	11.2
56.96561	3.1
57.03423	2.3
57.07064	2.2
59.04958	1.4
61.02908	1.9
67.05489	25.2
69.03420	3.1
69.07053	25.3
71.04963	5.6
79.05473	15.2
80.97852	1.5
81.07037	59.7
81.43346	1.4
83.04985	1.9
83.08610	7.7
85.02886	20.4
91.05463	20.6
93.07024	44.8
95.04960	1.8
95.08584	54.8
97.02869	2.9
97.06507	3.1
97.10155	3.4
99.08089	5.6
105.07015	31.4
107.08592	24.8
109.10148	42.1
109.54140	1.3
111.11722	9.3
117.06993	1.8
118.18094	1.4
119.01796	1.4
119.08578	14.3
121.10121	52.1
123.11697	19.1
131.08514	2.1
133.10114	24.1
135.11667	44.9
137.13243	9.7
139.11154	17.5
145.10170	3.6
147.11670	54.6
161.13274	8.8
163.06044	2.4
163.14816	3.5
165.12697	2.9
169.70143	1.4
175.14748	3.0
177.16383	1.6
191.17934	12.4
193.19556	8.8
203.17924	52.1
203.19711	2.6
221.18967	100.0
234.51614	1.8
239.19965	5.2
293.14221	2.0
330.10794	1.7
360.97198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42163	1.7
53.22677	1.4
55.01860	2.8
55.05495	10.4
55.34499	1.5
56.96547	3.6
60.14131	1.7
60.17369	1.5
62.30941	1.5
67.05502	15.4
69.03418	3.4
69.07051	11.4
69.44632	1.5
69.62165	1.5
70.47311	1.7
70.66766	1.6
71.04961	6.8
79.05479	20.5
81.07038	28.6
83.04953	7.9
83.08591	3.1
85.06532	3.6
87.59629	1.7
91.05460	29.5
93.07026	49.8
94.07352	3.1
95.04975	15.0
95.08580	19.4
97.06490	21.0
103.05435	3.6
105.07008	36.4
107.08578	29.7
109.06502	10.4
109.10141	12.3
111.08073	2.3
117.06998	4.0
119.08570	25.4
121.06515	3.1
121.10130	10.1
121.71784	1.7
123.08032	2.3
123.11651	3.4
125.09598	3.4
129.07074	2.2
131.04898	1.9
131.08517	16.1
133.10097	19.7
135.08014	4.1
135.11673	8.4
137.09625	3.6
143.08534	4.4
145.10120	13.0
147.08047	2.4
147.11615	7.8
149.09605	13.7
151.11131	3.6
155.08446	2.2
157.10103	9.5
159.08028	1.8
159.11653	6.7
161.09601	2.9
161.13258	2.9
163.11116	3.8
167.10663	2.1
173.09496	2.8
173.13164	2.9
175.11172	2.4
175.14732	2.0
185.13185	2.3
187.14717	2.5
189.12761	1.9
191.10622	2.0
201.05167	3.3
205.15843	2.2
215.14247	2.8
216.07542	74.2
217.08308	21.8
217.15904	3.8
253.15982	1.8
325.14130	3.5
355.14624	5.4
369.16629	100.0
383.18292	2.3
384.18723	3.7
401.18451	29.4
401.23920	16.6
401.27411	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43158	1.5
53.00309	2.1
53.03942	2.9
54.98241	2.0
55.01865	4.0
55.05510	20.3
55.29281	1.4
57.03424	2.3
57.07058	3.3
57.15875	2.4
59.04982	2.9
65.03937	3.3
67.05492	31.5
69.03424	19.3
69.07061	21.8
71.04987	33.4
77.03934	1.9
79.05485	44.7
81.07045	100.0
81.47961	2.0
82.07373	3.1
83.04969	18.8
83.08594	4.0
85.06532	3.9
87.98914	1.9
91.05472	59.7
92.32504	1.7
93.07030	89.6
94.07336	2.8
95.04948	27.7
95.08595	49.4
97.06516	12.3
99.04456	42.5
103.05463	17.2
105.07024	98.0
107.04929	3.9
107.08591	59.2
109.06524	25.1
109.10152	29.6
110.10467	2.2
111.04436	2.4
111.08090	8.0
115.05498	2.4
117.07008	20.1
119.04935	2.0
119.05853	1.8
119.07718	3.0
119.08569	81.5
121.06490	9.1
121.10131	25.3
123.08014	13.9
123.11708	9.1
125.09642	4.5
128.06192	7.7
129.06993	12.5
130.07767	3.0
131.04915	19.3
131.08551	33.4
133.06474	2.9
133.10118	86.9
135.08031	10.7
135.11678	30.7
136.12038	2.1
137.09601	12.2
137.13269	2.4
141.09117	9.6
142.07805	8.3
143.08575	15.2
145.10124	24.9
147.08057	10.7
147.11627	13.2
149.09608	31.3
149.13255	3.4
151.07458	2.2
151.11137	14.4
153.09038	2.2
155.08601	3.7
155.10660	3.7
156.09348	2.1
157.10127	16.7
159.08092	4.6
159.11697	15.2
161.09593	11.3
161.13268	8.4
163.11192	3.6
163.14856	3.1
169.10150	3.9
171.11649	7.3
173.09671	2.3
173.13242	10.8
175.11160	3.4
175.14821	3.9
177.12798	2.5
179.10666	8.6
183.11664	2.4
185.13252	3.0
187.11215	3.0
187.14752	2.8
189.12720	4.3
189.16386	3.0
191.10695	2.3
199.14825	8.1
201.16385	2.6
203.14192	2.2
205.09729	2.2
215.14330	4.4
217.15910	8.1
231.13712	3.3
232.04968	58.3
235.16968	4.1
241.12032	2.3
365.24521	3.3
369.14603	8.6
383.25699	4.3
401.17221	9.7
401.22791	13.5
401.27182	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.05504	15.2
56.32306	2.7
57.07050	3.6
59.70663	2.7
67.05486	27.1
69.03406	5.5
69.07050	14.0
71.04983	3.8
75.29213	3.5
79.05473	27.2
81.07051	54.6
91.05470	38.5
93.07034	71.7
95.04945	14.6
95.08586	22.1
97.06503	4.3
99.04426	5.0
105.07019	62.5
107.08585	42.6
109.06509	14.5
109.10145	19.1
111.08138	4.6
117.07005	17.5
119.08577	47.8
121.10128	21.5
123.08024	4.4
123.11700	7.2
128.06239	13.8
129.07004	24.2
131.04842	5.5
131.08560	30.8
133.10121	49.1
135.08012	6.9
135.11678	17.6
137.09630	5.5
143.08569	12.9
145.10117	27.0
147.08046	7.7
147.11697	5.8
149.09602	15.3
151.11220	5.2
157.06506	24.8
157.10153	8.2
159.11681	5.8
161.09557	7.4
161.13239	4.5
163.11215	5.9
167.08551	3.8
171.11623	5.3
173.13170	4.4
177.12608	3.2
181.10152	4.0
183.07790	3.9
185.13177	3.7
187.11111	4.5
199.14674	5.6
215.14258	7.5
217.15918	4.0
231.13690	5.4
232.04950	100.0
233.05775	5.9
355.12842	4.5
369.14554	52.9
401.17209	33.6
401.22803	24.6
401.27197	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	401.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01788	0.6
55.05497	1.1
56.96569	0.7
57.03207	0.6
57.03426	9.8
58.03751	1.1
61.02888	3.1
65.62778	0.6
67.05474	1.3
69.03414	30.9
70.03739	4.7
70.06080	0.7
71.04967	3.9
73.02876	0.8
75.04457	1.5
78.24567	0.7
79.05470	1.6
81.03387	1.8
81.07033	1.5
83.08601	0.8
85.02885	32.5
86.03233	5.2
87.04454	17.2
88.04780	1.6
91.03860	0.8
91.05454	5.7
92.09330	2.2
93.07024	4.1
95.08579	3.7
97.02859	18.5
98.03234	5.6
99.04409	1.8
105.07016	11.8
107.04980	1.0
107.08587	5.5
109.02911	1.3
109.06514	3.3
109.10152	1.5
111.08056	1.6
115.03901	15.5
116.04286	2.6
116.06184	0.8
117.06953	1.0
119.08562	12.7
121.06446	0.9
121.10123	1.3
127.03882	4.6
129.06972	5.5
131.08534	9.0
133.04939	15.1
133.06413	2.4
133.10103	10.7
134.05278	1.8
135.08011	3.2
136.60756	0.8
141.06905	1.3
142.07759	35.2
144.09340	1.0
145.04953	8.3
145.06451	0.8
145.10056	5.8
147.08015	1.4
147.11691	5.3
149.09581	4.4
150.07603	1.4
153.05357	1.2
153.09071	1.6
157.10092	100.0
159.11679	4.4
161.09528	1.1
163.06032	1.8
163.07513	1.5
164.06299	1.0
175.11134	81.3
179.10617	1.5
193.12193	62.8
221.11693	25.0
239.12634	5.6
284.06323	0.7
401.17609	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	401.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	0.3
57.03428	0.3
64.93504	0.2
66.24292	0.3
69.03426	1.4
69.07056	0.4
69.77540	0.3
79.05472	0.3
81.07056	0.5
83.04971	0.3
85.02901	3.0
87.04446	0.3
91.05484	0.4
93.07020	1.2
97.02873	1.2
98.97530	0.7
105.07021	0.5
107.04912	0.3
109.02828	0.4
109.06580	0.3
120.08088	6.6
121.10116	0.5
123.04369	0.4
127.03899	0.4
130.06508	81.0
132.04433	11.1
133.10089	0.4
139.11153	0.3
143.10616	0.4
147.04320	0.4
148.07558	35.4
150.09143	0.3
157.12160	0.4
158.05991	32.7
159.04294	0.3
176.07036	100.0
177.09016	0.5
195.09842	0.3
204.06535	2.5
222.07579	55.6
229.07216	0.4
239.08836	1.4
240.12213	1.2
401.13528	1.0
401.18137	0.4
420.96628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79735	0.3
53.00275	0.2
53.22146	0.3
56.86951	0.3
57.03452	0.4
61.02938	0.3
69.03419	0.8
69.07052	0.7
70.06590	0.4
71.04958	0.3
78.93459	0.3
79.05493	0.4
81.07056	0.6
85.02903	2.9
87.04456	0.3
91.22166	0.3
92.09244	0.5
93.07016	0.8
95.08556	0.4
97.02862	0.8
97.10118	0.4
98.97529	0.4
102.75150	0.4
105.07002	0.5
107.08535	0.6
109.02909	0.4
109.10138	0.4
115.03931	0.4
119.08576	0.4
120.08096	6.3
121.10113	0.8
125.09601	0.8
127.03862	0.6
130.06506	78.3
131.95158	0.3
132.04427	11.7
139.03873	0.4
143.10664	2.4
144.11006	0.6
148.07553	31.7
157.12263	0.5
158.05994	31.8
176.07036	100.0
177.07440	0.4
177.08923	0.4
185.11652	0.4
195.09785	0.6
203.12671	0.6
204.06549	3.1
204.13100	0.4
221.13576	0.5
222.07584	53.6
239.08914	2.3
239.12628	0.4
240.12242	0.6
305.02722	0.4
372.11118	0.3
382.06335	0.3
401.13715	1.7
401.18271	0.5
409.20959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39912	0.3
53.03942	1.6
55.01867	10.1
55.55224	0.3
57.03431	17.1
57.17908	0.3
57.90960	0.3
59.04985	2.4
61.02915	13.1
62.24433	0.4
69.03416	27.8
71.01332	2.7
71.04971	2.1
72.04471	0.8
73.02900	25.3
73.84485	0.4
81.03406	7.2
85.02889	100.0
87.04458	3.5
91.03936	4.6
97.02870	35.0
98.93729	0.4
99.04404	4.2
101.02377	0.9
103.03925	2.3
109.02847	7.8
115.03910	9.6
127.03888	21.2
132.06569	0.9
133.04944	8.6
145.04939	31.9
147.04405	0.5
150.07607	1.7
163.05980	15.3
170.70802	0.4
187.68312	0.4
194.99930	0.4
197.11674	0.6
217.07072	0.5
223.06090	0.8
225.66557	0.4
241.07161	0.5
251.14871	2.7
259.08167	1.5
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
53.00291	1.0
53.03932	0.6
55.01865	1.3
57.03146	1.0
57.03428	30.4
59.04987	6.9
60.04505	1.6
61.02908	5.1
69.03415	81.1
71.04995	0.9
73.02885	6.1
75.04462	3.7
81.03402	3.9
85.02888	100.0
87.04449	49.2
87.04984	1.7
91.03922	2.0
95.60357	0.9
97.02866	59.7
99.04438	1.7
103.03956	0.9
109.02842	6.0
113.87200	1.0
115.03912	52.9
116.03015	0.8
127.03890	16.2
133.04939	43.6
142.07739	0.9
145.04944	19.4
150.07607	4.9
157.10143	1.9
163.05975	9.3
193.12209	1.2
236.06577	0.9
238.10796	1.4
251.14893	1.1
259.07965	1.9
295.10153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	8.4
56.96807	0.8
57.17178	0.4
61.56276	0.5
66.03887	0.4
71.95255	0.6
98.97561	100.0
116.98598	91.6
119.01860	0.6
134.99634	51.5
140.00153	0.8
140.31152	0.5
147.35333	0.5
153.00705	8.2
159.23317	0.4
177.00865	0.7
179.00652	0.5
190.95369	0.7
218.01579	0.5
219.01988	1.6
232.96439	0.6
234.99731	3.5
240.98544	3.3
250.97714	0.7
253.61552	0.4
256.96326	0.7
258.99701	47.2
259.99994	0.5
260.99841	0.8
261.02963	1.9
262.03308	0.5
263.02710	1.0
274.97443	8.3
275.97705	1.0
277.00763	95.3
278.01047	2.6
279.00934	2.7
282.99847	0.6
284.00107	0.9
284.99835	4.3
292.98499	5.8
293.98587	0.7
294.98566	1.0
295.01831	0.7
300.02243	2.5
301.01022	2.8
302.01065	1.9
303.00818	9.8
316.98846	1.1
319.01993	0.5
321.01721	0.5
358.99597	0.6
359.03558	2.5
381.81424	0.5
382.99881	2.7
401.01028	13.7
419.02005	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05640	0.7
55.01860	1.0
61.02908	1.2
65.03928	1.8
67.05476	2.3
69.03410	5.5
69.07065	2.0
70.06567	1.8
71.04985	1.9
79.05482	3.9
81.07031	2.2
85.02892	6.2
87.04454	4.4
91.05463	5.2
93.07014	6.4
94.07359	1.1
95.01315	2.0
95.08580	4.8
96.08891	1.1
97.02857	2.1
97.06496	1.4
98.97580	1.1
105.07030	1.4
105.27635	0.9
119.04924	9.6
120.08099	1.1
121.10121	8.9
122.10463	3.4
123.00780	4.5
123.04398	1.4
127.03923	1.1
130.06502	15.8
131.04893	5.6
132.04428	3.8
137.05997	1.2
139.03856	1.3
139.11143	7.4
140.11519	2.2
141.01843	6.6
147.03322	1.9
147.04401	30.8
148.07585	6.7
157.12259	4.3
158.06003	4.4
158.12526	1.7
163.03860	1.1
176.07047	20.5
177.05399	1.7
177.08832	4.1
181.04936	15.5
185.11685	1.5
193.08344	60.8
201.71352	0.8
203.12785	6.8
204.13138	3.8
221.13753	1.0
222.07541	9.4
239.08867	82.7
305.06506	1.3
316.31302	0.9
401.14090	100.0
402.14194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2375
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
51.70736	0.4
53.03930	0.5
55.01878	0.5
55.05501	1.5
57.03426	0.4
57.72496	0.4
61.02917	0.6
63.28248	0.3
66.30103	0.3
66.63203	0.4
67.05497	3.1
69.03403	1.8
69.07037	2.2
71.04966	0.5
79.05463	2.3
81.07040	5.1
83.04961	1.6
83.08601	0.7
85.02901	4.3
90.80284	0.4
91.05446	2.3
92.08816	0.5
93.07021	7.0
95.08572	3.0
97.02845	0.7
97.06509	7.1
105.07034	6.8
106.59885	0.4
107.08582	7.1
109.06512	0.9
109.10136	7.3
111.08069	22.4
117.07045	0.4
119.08529	4.3
120.08862	0.4
121.06418	0.5
121.10114	8.2
123.08072	2.3
123.11690	2.0
125.09555	0.4
127.03870	1.0
131.08553	0.7
133.10130	2.4
135.08069	4.3
135.11699	5.5
137.09610	1.7
145.10123	4.5
147.11671	6.7
149.09592	0.9
151.11102	0.5
157.10071	0.4
159.11650	3.3
161.09546	0.7
161.13263	1.0
163.11180	8.2
173.13216	0.7
177.12740	0.5
189.12721	9.3
190.85631	0.4
191.14368	0.5
201.16386	2.5
204.15080	17.2
219.17416	100.0
237.10872	0.9
237.18425	2.9
268.77817	0.5
336.66617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54031	0.3
53.03930	1.6
55.01864	7.9
57.03428	16.4
59.04984	1.4
60.36361	0.3
61.02916	11.6
69.03416	22.6
71.01339	3.3
71.04977	2.1
71.08614	3.1
72.04492	0.4
73.02898	17.5
81.03399	5.4
85.02889	100.0
87.04465	3.5
91.03944	4.4
91.05450	0.4
92.09248	0.4
97.02867	30.0
99.04444	3.5
101.02341	0.4
103.03327	0.3
103.03908	2.4
109.02858	9.6
115.03907	9.6
118.08647	0.3
127.03890	22.3
129.07796	0.4
132.06528	1.2
133.04953	9.3
145.04938	34.1
147.06343	0.3
147.34006	0.4
150.07582	0.8
162.10420	0.4
163.05981	17.7
163.10773	0.4
175.05888	0.5
193.04974	0.6
197.11842	0.4
201.11191	0.3
237.11325	0.5
241.07065	0.6
251.14801	3.7
259.08154	1.3
259.49295	0.4
277.09186	0.4
295.10489	0.4
363.69754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.3
53.03934	1.5
54.79651	0.3
54.81974	0.3
54.83158	0.3
55.01866	8.7
55.56163	0.3
57.03427	17.0
59.04990	2.7
61.02912	13.1
69.03415	26.6
71.01328	3.2
71.04971	2.7
72.04483	0.6
73.02899	18.8
76.48239	0.3
81.03397	4.8
83.01360	0.5
83.69695	0.3
85.02888	100.0
87.04449	7.1
88.12587	0.3
91.03929	4.1
92.08663	0.6
97.02866	34.9
99.04421	3.9
101.02354	0.4
103.03921	2.6
106.83083	0.3
107.32244	0.3
109.02857	7.5
114.05550	0.4
115.03909	11.6
117.05508	0.3
127.03887	22.2
132.06560	1.3
133.04935	12.3
145.04935	33.2
150.07594	1.6
163.05971	15.0
169.04967	0.4
197.11734	0.6
222.91002	0.3
223.05971	0.7
241.06990	1.2
251.14912	3.4
254.43723	0.3
259.08121	1.7
295.10138	0.5
302.47668	0.3
411.16202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72665	0.5
53.00286	0.7
55.01867	1.2
55.05499	1.2
56.96552	4.8
57.03428	9.3
57.07076	0.8
59.04982	2.3
61.02908	3.3
69.03072	1.2
69.03419	23.9
69.07056	100.0
71.04970	8.0
71.08610	1.3
73.02897	4.1
73.06535	0.8
75.04449	1.3
76.56606	0.6
79.05462	0.8
80.13402	0.5
81.03394	3.6
81.07041	3.3
83.04950	3.6
84.96012	2.4
85.02890	43.0
87.04459	13.6
87.08089	21.8
89.55667	0.6
91.03949	0.8
91.05457	0.7
93.07002	1.4
95.08582	0.7
97.02869	18.8
97.06534	0.9
98.97559	15.3
98.98447	2.9
99.04436	0.9
103.03922	1.0
105.06967	0.8
105.09121	14.8
107.08601	0.9
109.02815	1.3
110.97546	2.9
111.04424	0.9
111.08073	1.3
115.03922	11.8
116.98620	5.7
117.07096	0.6
119.08489	0.8
121.06474	1.5
123.08064	0.9
127.03896	5.8
128.98567	6.9
129.05464	3.8
131.00171	0.8
133.04947	8.9
134.99651	3.7
136.06183	1.0
137.09660	1.1
142.39432	0.6
143.00209	0.9
145.04924	7.4
146.25464	0.6
146.99629	5.7
153.09038	0.7
158.99640	2.4
161.01234	1.3
163.05975	3.6
165.00693	0.9
167.21518	0.6
170.99573	1.1
177.00708	3.4
183.10109	0.9
189.00604	0.8
193.01730	0.7
195.03261	2.7
195.10118	0.8
201.11127	1.1
211.02730	2.4
213.04347	4.2
219.01718	6.2
219.12230	1.4
237.02733	15.9
237.04837	0.8
255.03738	1.3
339.07535	14.3
399.09387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.0
53.03938	0.6
55.01873	4.1
55.05500	0.5
55.09679	0.3
57.03424	6.8
57.63935	0.4
58.59575	0.4
61.02915	4.2
62.15576	0.4
67.05485	0.8
69.03064	0.7
69.03414	11.7
69.07054	100.0
71.01334	0.8
71.04982	0.9
71.08615	0.6
73.02897	10.2
79.05475	0.5
80.99113	0.4
81.03415	2.7
81.07049	2.1
83.04967	0.8
83.35735	0.4
84.41990	0.4
85.02890	40.9
85.06536	0.9
86.66547	0.4
86.67038	0.5
87.04463	1.9
87.08086	13.2
90.98273	0.4
91.03955	2.0
91.05460	1.0
93.07037	1.6
95.08585	1.0
97.02872	13.8
97.06533	0.5
98.97574	0.5
99.04428	1.6
100.01021	0.5
101.06003	0.5
103.03961	0.8
105.07002	0.6
105.09129	7.7
107.08603	1.0
109.02857	3.2
109.06485	0.5
111.04419	0.4
111.08079	1.7
115.03900	4.2
121.06496	2.2
123.08044	0.7
127.03892	7.7
133.04953	5.1
135.08055	1.0
136.06183	2.0
136.08385	0.7
145.04948	10.0
147.06525	0.4
163.05978	5.5
165.09117	1.6
177.09155	0.6
183.10208	1.0
204.06535	0.5
213.11247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2374
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
50.77297	0.3
51.90400	0.3
53.03921	0.9
54.61430	0.4
55.01852	1.1
55.05507	3.7
55.32207	0.4
57.03410	1.9
57.07053	1.8
61.02896	0.9
67.05148	0.4
67.05488	9.8
69.03413	33.6
69.07053	6.7
71.04964	0.6
73.02894	0.5
79.05466	4.7
81.03385	2.4
81.06594	0.7
81.07037	14.7
82.55497	0.4
83.04963	1.1
83.08590	2.3
84.03266	0.4
85.02887	13.4
85.06538	5.4
87.04432	0.5
91.05453	5.6
92.47450	0.4
93.07019	41.8
95.04929	2.6
95.08575	10.8
97.02875	3.9
97.06504	4.2
97.10140	1.7
99.04431	0.8
105.07015	6.2
107.04929	3.0
107.07868	0.8
107.08575	23.6
109.02863	2.3
109.06514	8.9
109.10135	35.3
111.08070	12.3
117.06989	3.0
119.08556	7.8
121.06467	6.4
121.10115	14.2
123.08054	6.6
123.11678	9.1
125.09592	1.7
126.65644	0.5
127.03891	2.2
130.07797	0.5
131.08574	4.0
133.10106	4.5
135.08034	17.7
135.11661	43.2
137.09589	28.1
145.04906	2.0
145.10114	8.8
147.11635	1.9
149.09586	2.4
149.13220	3.7
151.11130	0.8
159.11641	8.8
161.09563	4.2
161.13245	7.3
163.11147	11.7
173.13214	1.8
175.14789	0.9
176.11905	2.7
177.12776	2.7
177.16331	3.9
181.20094	0.5
191.17856	1.7
201.16360	7.3
202.56140	0.4
219.17401	100.0
220.17729	0.5
237.18471	1.7
249.32788	0.5
399.23758	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84461	0.8
56.96279	1.3
56.96552	26.5
57.03412	1.5
61.02914	1.3
69.03403	5.4
69.07054	13.0
71.04965	4.1
73.02890	0.8
73.34006	0.7
73.91865	0.7
74.97565	1.4
81.07018	0.9
81.27048	0.8
84.96015	13.7
85.02888	17.9
87.04450	1.2
87.08087	9.9
97.02843	6.8
98.97553	78.5
98.98427	17.3
102.48884	0.9
102.97028	0.9
105.09089	1.5
110.97547	26.0
111.25684	1.0
112.99115	4.2
115.03945	1.3
116.98602	39.3
119.08462	0.8
121.06460	4.1
126.27475	0.7
127.03859	1.4
128.98575	40.6
131.00131	8.7
132.35655	0.8
134.99626	13.7
140.98561	4.3
143.00128	9.6
144.98079	2.0
145.04953	3.6
146.99634	28.7
149.01175	6.6
152.98569	1.8
158.99609	11.6
161.01196	13.7
162.99124	1.2
165.00644	3.8
170.99605	12.4
173.01144	1.8
177.00661	17.4
179.02280	1.6
183.09927	0.8
189.00677	10.6
193.01671	12.6
195.01718	2.3
195.03268	11.1
201.00710	4.7
211.02740	16.4
213.04279	20.2
217.53049	0.8
219.01711	45.7
223.02576	1.1
237.02730	100.0
241.03899	1.3
249.04289	1.7
255.03580	9.9
279.05347	1.8
291.05292	1.1
305.66995	0.8
326.15164	0.9
339.07440	84.3
357.08463	9.0
399.09460	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	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
53.22140	0.5
55.01867	8.1
55.05503	11.5
57.03422	0.5
57.07059	2.4
59.04987	2.3
65.03918	0.8
66.48704	0.5
67.05492	10.4
69.03421	4.3
69.07059	7.8
70.38737	0.5
71.04983	2.1
79.05478	9.9
81.07040	36.5
83.04945	1.1
83.08608	11.3
85.06542	4.0
91.05469	26.0
93.07027	100.0
94.07351	0.7
95.04952	13.1
95.08586	11.9
97.06531	4.6
101.06019	0.7
105.04523	1.4
105.07030	10.7
107.08577	13.7
109.06507	4.6
109.10143	12.8
111.08072	32.6
112.08388	0.7
117.06991	1.3
119.08559	12.4
121.10139	8.2
123.08019	0.9
123.11695	3.1
125.09606	0.9
127.07584	0.7
128.10745	1.2
129.06999	0.6
131.08548	3.6
133.10097	4.9
135.07990	0.7
135.11671	9.2
137.09605	17.3
138.10391	1.2
139.11162	1.2
144.09306	0.7
145.10115	4.2
147.11687	6.6
149.09682	0.6
149.13234	0.6
151.11115	1.3
155.10651	6.7
159.11682	6.2
161.13298	5.0
163.11159	4.9
165.12746	0.7
175.14908	0.6
177.12712	1.1
179.14336	1.1
191.17883	0.9
195.13884	0.7
201.16347	5.9
219.17426	19.0
237.18347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
54.81816	0.7
55.01870	8.9
55.05508	9.3
55.89153	0.7
57.07058	0.8
67.05506	6.6
69.03413	1.6
69.07047	5.1
71.04964	1.7
79.05472	14.7
81.07042	22.4
83.04966	1.1
83.08597	4.1
85.06548	5.5
91.05460	31.9
92.08665	0.9
93.07025	100.0
95.04962	14.4
95.08572	5.6
97.06496	1.3
99.08089	1.4
105.04489	1.7
105.07009	11.4
107.08580	17.5
109.06504	1.8
109.10163	4.0
111.08070	27.9
119.08583	7.0
121.06468	3.7
121.10114	1.1
125.09605	3.7
127.07532	1.2
131.08533	4.5
133.10114	8.4
135.07999	1.8
135.11697	6.9
139.07475	1.5
145.10106	5.2
147.11647	1.1
148.66734	0.8
151.11198	0.8
159.11664	4.9
164.56096	0.7
195.13885	1.4
201.16238	1.5
215.14410	0.8
219.17412	3.9
389.83044	0.9
390.49521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65831	1.3
56.96555	34.7
61.42325	1.6
65.72225	1.5
69.03425	1.9
71.95240	3.0
77.93642	1.6
85.02915	1.8
85.28775	1.6
86.57575	1.7
94.28730	1.8
97.02890	18.3
98.97565	100.0
99.16570	2.0
101.00844	9.1
113.03479	9.3
114.37527	1.9
116.98601	98.1
119.01899	84.5
120.02008	9.4
121.01649	10.0
128.98747	1.9
134.99634	88.6
135.00618	3.6
135.99805	2.0
137.02927	49.3
138.03008	8.9
139.02715	7.3
140.53659	1.8
142.03470	13.0
143.03625	1.9
153.00705	20.0
158.01221	3.0
160.04539	7.9
174.98541	2.3
177.00923	34.1
178.01079	9.0
179.00726	9.1
190.95468	7.6
208.96489	2.2
214.95447	2.1
219.02003	20.4
220.02051	3.7
221.01788	4.0
230.93343	2.9
232.96487	8.2
234.99832	9.9
238.95483	2.3
248.94226	2.2
250.97484	2.5
256.96512	36.6
257.96793	8.3
258.96399	10.5
258.99884	15.7
261.03015	54.8
262.03125	21.8
263.02789	22.2
264.03058	2.5
272.94159	12.5
274.94400	4.0
274.97464	68.6
275.97775	6.9
276.97849	3.8
277.00977	26.6
282.99869	44.8
290.95352	12.2
291.95392	3.1
292.95358	6.4
292.98468	54.2
300.97781	3.7
301.01016	98.7
302.01617	3.4
303.01141	2.7
314.95535	3.5
318.98566	2.9
319.02060	6.6
324.90997	2.6
345.41171	3.1
345.91367	2.4
352.90857	2.3
356.96677	2.0
366.91833	6.8
372.25525	1.8
372.91873	9.0
378.91898	2.4
380.59024	2.8
380.96585	12.1
386.90387	5.7
398.92911	3.1
398.97794	75.0
416.95209	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	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03935	3.4
53.64122	0.4
53.86094	0.5
54.94276	0.6
55.01676	0.5
55.01873	9.1
55.05503	11.4
56.53976	0.5
57.03419	0.7
57.07066	1.3
59.04995	0.8
62.10732	0.5
67.05492	12.1
69.03424	3.9
69.07063	11.7
71.04966	2.2
72.65052	0.5
79.05476	13.1
81.03411	1.0
81.07041	47.4
82.80994	0.5
83.04972	8.1
83.08606	10.0
83.27464	0.5
83.81286	0.5
85.02897	0.7
85.06534	4.1
91.05465	30.6
93.07027	100.0
95.04948	14.9
95.08589	16.3
97.02840	0.6
97.06517	9.4
97.10168	0.7
101.05972	1.1
105.04497	2.6
105.07011	12.6
107.04970	0.7
107.07872	0.8
107.08578	17.5
109.06516	6.2
109.10143	20.0
110.09701	1.2
111.04398	2.5
111.08070	30.0
113.62419	0.6
117.06985	2.4
119.08560	12.3
121.06518	1.0
121.10140	9.0
123.08041	2.6
123.11663	4.6
125.05976	6.8
125.09601	2.7
127.07530	0.8
128.10753	2.1
129.06967	0.8
131.04901	1.2
131.08536	3.9
132.42871	0.5
133.10095	5.9
135.08028	1.4
135.11670	8.9
137.09601	12.9
137.13187	0.6
138.10382	2.9
139.11115	1.2
143.08536	0.6
144.09323	0.5
145.10106	6.4
147.11671	9.0
149.09572	1.1
149.13260	1.0
151.11142	3.8
153.09082	0.8
154.09984	0.7
155.10677	4.8
159.11642	6.5
161.13240	4.0
163.11150	7.6
165.12723	0.6
173.13237	0.9
177.12781	1.0
179.14301	0.8
179.46541	0.6
181.15862	3.5
189.16467	0.6
191.17717	0.6
195.13828	0.7
201.16306	5.0
219.17418	22.2
237.18456	0.6
260.12714	0.5
332.07343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01870	8.4
55.05505	11.4
57.03432	1.1
57.07066	1.4
57.91470	0.5
59.04993	0.7
59.19270	0.5
65.03941	0.6
67.05504	9.8
69.03416	2.8
69.07060	8.0
71.04980	1.1
77.03937	0.6
77.85513	0.6
79.05478	10.1
81.07042	39.1
82.45565	0.6
83.04964	1.4
83.08601	10.1
85.06534	3.4
87.14809	0.6
91.05464	30.9
92.47531	0.6
93.07027	100.0
94.07353	0.9
95.04953	13.2
95.08596	12.6
97.06520	3.4
101.06029	1.2
105.04488	1.3
105.07008	12.3
107.08590	14.7
108.98563	0.5
109.06505	4.8
109.10149	16.3
109.10862	1.0
110.09660	0.8
110.57712	0.5
111.08070	29.2
113.06010	0.6
114.80333	0.5
117.06971	1.2
119.08566	10.8
121.10118	7.0
123.08054	2.4
123.11667	2.1
128.10727	1.3
131.08562	4.2
133.10086	4.4
135.11668	8.1
137.09595	15.8
138.10388	2.5
145.10109	4.6
146.77979	0.6
147.11671	6.3
149.09593	0.7
149.13261	1.1
151.11179	3.8
155.10631	4.2
159.11685	5.1
161.13223	4.6
163.11115	4.5
173.13255	1.0
177.12674	0.7
179.14256	1.4
191.17990	0.8
195.13812	0.6
201.16380	6.4
219.17426	18.5
237.18526	0.6
305.68799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
54.19900	0.9
55.01870	12.1
57.03430	21.3
59.04985	1.9
61.02914	12.0
63.69758	0.8
67.05508	0.9
69.03422	26.0
69.07058	38.1
71.01330	4.7
71.04956	1.1
72.04499	0.9
73.02898	23.9
73.21366	0.9
76.68544	0.9
79.05486	1.0
81.03400	6.4
81.07034	1.2
85.02893	100.0
87.04461	4.9
91.03945	4.6
91.05454	1.6
93.07036	1.3
95.08569	1.3
97.02877	35.5
99.04432	4.6
101.02383	1.0
103.03923	2.2
107.08571	1.1
109.02213	1.2
109.02893	8.5
111.08079	1.2
115.03905	12.8
123.04491	1.0
123.08075	1.6
127.03897	21.6
132.06520	1.6
133.04953	15.8
145.04950	31.7
150.07664	1.2
163.05998	22.0
165.09024	1.3
183.10133	1.4
194.24506	1.0
201.89871	0.9
203.04356	0.9
231.12282	1.6
241.06950	2.0
256.01938	1.0
259.08066	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.0
55.01857	7.1
55.05489	1.0
57.03180	1.7
57.03432	35.6
59.04985	7.2
60.04502	1.2
61.02908	7.7
67.05485	1.2
69.03419	100.0
69.07059	31.1
69.99496	1.1
71.04964	2.8
71.91650	1.1
72.80614	1.1
73.02901	21.9
75.04452	2.7
79.05483	1.8
81.03398	7.1
81.07034	6.9
83.04972	1.8
83.08630	1.5
85.02893	96.9
87.04456	59.7
91.03928	2.6
91.05474	2.3
92.08624	2.1
93.07014	5.2
95.04950	2.0
95.08589	1.9
97.02872	69.0
98.57198	1.3
99.04451	5.3
99.25259	1.1
103.03902	1.9
105.07030	2.0
107.08570	1.8
109.02869	2.9
111.08058	5.8
112.08508	1.3
115.03915	58.3
119.08505	1.2
123.08067	1.3
127.03878	15.2
128.90775	1.1
131.08577	1.5
133.03951	1.9
133.04953	56.1
135.08086	1.9
137.09601	6.4
145.04947	23.0
147.04448	2.9
147.08052	1.5
150.07620	7.1
163.05966	17.6
165.09030	8.9
167.06981	14.8
169.05009	1.7
174.13344	1.3
183.10240	4.7
195.10176	1.7
201.11172	2.7
219.12256	1.7
241.07127	2.1
259.08084	6.8
277.09280	2.0
295.10251	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	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
53.28347	0.5
55.01875	7.4
55.05508	9.3
57.03427	1.1
57.07073	1.0
59.04986	1.4
65.03949	1.0
67.05497	7.6
69.06714	0.8
69.07059	14.8
71.04978	16.4
74.27573	0.5
76.55413	0.6
78.76176	0.6
79.05476	16.8
81.06592	1.1
81.07040	18.6
81.56084	0.6
83.04999	0.7
83.08608	7.6
85.06535	28.7
87.43930	0.7
91.04887	1.0
91.05463	32.4
93.07027	100.0
95.04945	9.2
95.08592	5.8
97.06495	0.9
105.04512	1.4
105.07014	9.3
107.08577	25.8
109.06509	1.4
109.10176	0.9
110.09696	1.3
111.08076	34.5
117.06225	0.6
117.07006	1.4
119.08532	5.4
121.10131	10.5
123.08071	0.7
128.10762	0.7
131.08568	1.3
133.10114	3.0
135.11714	1.4
137.09642	2.7
143.08553	0.7
143.95714	0.6
144.09259	0.8
145.10129	4.0
147.11746	0.7
149.13249	16.3
151.11209	0.7
159.11665	1.2
165.12741	2.7
173.13217	0.7
175.14665	0.7
187.18506	0.6
196.59602	0.7
201.16307	0.7
215.91209	0.6
219.17430	0.9
357.82590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
53.99752	0.5
55.01867	10.7
55.05506	9.0
57.07053	2.4
59.04962	0.6
59.74821	0.5
65.03925	0.6
67.05186	0.5
67.05487	5.2
69.03434	0.6
69.07059	4.4
71.04967	1.4
75.76884	0.5
77.03921	1.0
79.05481	12.3
81.07043	19.6
83.04944	1.4
83.08606	5.1
85.06526	5.9
91.04900	0.9
91.05465	33.1
93.07027	100.0
94.07368	0.7
95.04950	11.8
95.08601	4.5
97.06527	0.8
105.04504	3.1
105.07021	7.7
107.08576	12.1
109.06496	3.0
109.10140	2.5
110.09672	1.0
111.08069	29.9
117.06956	0.9
119.08569	3.2
121.10115	2.3
125.09618	2.7
131.08539	2.3
133.10115	3.7
135.08073	0.8
135.11679	3.7
139.68753	0.5
145.10120	2.9
147.11703	0.8
149.09618	0.9
151.11263	0.7
157.09952	0.7
159.11641	2.3
168.25635	0.6
195.13832	0.9
201.16455	1.2
208.35583	0.6
219.17426	0.9
271.98990	0.6
384.97571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01869	6.9
55.05505	8.0
57.07053	0.8
59.04980	1.0
63.20247	0.5
65.03905	0.9
67.05488	6.0
69.07053	10.0
71.04976	11.2
77.03878	0.7
79.05473	15.2
81.06593	1.2
81.07034	20.5
83.04964	1.0
83.08599	6.2
85.06530	24.4
89.82854	0.6
91.05459	31.7
93.07021	100.0
95.04941	10.6
95.08572	4.4
105.04489	2.5
105.07006	8.3
107.08569	20.2
107.10069	0.6
109.06496	1.6
109.10110	1.0
110.09653	1.3
111.08064	35.2
115.58306	0.6
115.93260	0.9
117.07005	1.1
119.08553	3.6
121.10120	6.6
123.11633	0.7
125.09581	1.4
128.10648	1.2
131.08521	1.1
133.10133	3.0
135.08032	0.7
135.11635	1.0
137.09583	2.4
145.10109	2.8
149.13237	12.1
151.11200	1.1
159.11655	1.1
165.12701	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	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
54.81398	1.2
55.01849	1.7
55.05501	9.0
57.07056	8.2
67.05493	21.1
69.03394	1.5
69.07053	26.9
79.05475	56.5
81.07039	42.3
83.04976	2.6
83.08582	5.9
91.05463	29.9
93.07026	100.0
95.04948	26.8
95.08595	9.8
97.06512	15.8
99.12062	1.4
100.20491	1.4
105.04485	1.7
105.07009	19.9
106.65076	1.4
107.08576	68.3
109.06492	13.7
109.10137	12.8
111.08058	2.7
119.08528	2.6
121.10142	2.5
123.08016	1.6
123.11686	3.5
125.13192	2.9
131.08534	2.1
133.10091	12.5
135.11670	98.9
151.11176	18.4
153.12717	8.1
191.80618	1.4
202.84805	1.9
289.79132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.31293	0.7
55.01871	6.8
57.03174	1.3
57.03432	19.2
59.04979	1.5
61.02914	12.4
61.37822	0.7
67.05506	0.9
69.03419	26.8
69.07059	40.6
71.01318	3.0
71.04986	4.1
73.02906	22.7
79.05458	1.1
80.63279	0.9
81.03413	6.1
81.07036	2.0
85.02894	100.0
86.09700	1.2
87.04448	3.8
91.03925	1.1
91.05436	1.2
93.07039	1.8
95.04950	1.3
95.08604	2.0
97.02872	35.1
99.04449	4.8
100.74426	1.1
101.02348	1.5
103.03943	3.7
103.05486	1.0
107.08546	1.1
109.02853	10.0
109.06485	1.7
111.08073	3.9
115.03906	12.5
123.08082	1.4
127.03897	24.4
130.70135	0.9
131.04921	0.9
133.04965	17.8
139.03897	1.1
145.04951	32.5
148.07480	1.0
163.05977	22.4
164.86446	0.9
171.10199	1.1
172.07623	1.4
176.25392	1.0
183.10182	1.4
188.06975	1.1
190.04922	0.9
192.06578	6.4
192.10255	1.0
200.07030	2.1
201.11209	1.4
218.08119	20.3
223.06000	1.4
231.12410	1.5
236.09128	28.8
241.06920	1.3
259.08078	4.8
295.10156	3.4
386.75064	0.9
423.66275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
54.54215	1.0
55.05511	9.8
57.07057	1.7
62.28497	1.3
67.05495	14.8
67.05829	1.5
69.07056	15.5
71.05004	1.8
75.27467	1.1
79.05476	34.4
81.07040	62.7
83.04961	6.9
83.08606	6.7
85.06562	1.2
89.06028	1.4
89.61067	1.2
91.05460	19.8
93.07026	27.4
95.04963	6.1
95.08601	19.0
97.06518	4.8
97.10168	1.3
99.08044	4.4
103.05459	1.7
103.10319	1.3
105.07017	40.7
105.07662	2.5
107.04946	2.1
107.08580	97.6
109.06515	7.5
109.10132	9.6
111.08111	1.6
116.06229	1.3
117.07011	21.7
119.08554	25.2
121.06503	7.0
121.10128	13.1
123.08018	2.1
123.11698	2.6
125.09610	100.0
129.06998	2.1
130.07771	8.4
131.08522	20.6
133.10112	10.0
135.08046	12.4
135.11713	7.6
137.09602	1.5
137.89343	1.2
143.08554	4.7
143.10657	2.9
144.09319	2.4
145.10114	53.3
145.11226	2.7
147.11731	5.6
149.13234	2.0
157.10139	3.0
159.11667	22.2
161.13206	2.7
163.11160	5.8
173.13243	5.8
175.14853	2.0
177.12752	2.1
177.16469	1.4
187.32065	1.2
191.17915	1.6
201.16351	39.2
203.17944	2.9
219.17419	17.1
265.71405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12142	2.9
55.05497	6.2
57.07053	4.9
60.87962	2.7
67.05481	20.5
67.05807	2.8
69.07047	15.2
79.05478	47.1
81.07036	65.4
83.04944	3.8
83.08588	6.2
89.05949	4.3
91.05466	64.7
93.07008	32.7
95.04945	6.5
95.08580	19.9
97.06511	5.8
99.08082	5.2
103.91462	3.2
105.07011	56.3
107.08575	100.0
109.06497	6.1
109.10095	6.5
109.62877	4.0
117.06995	18.9
119.08565	13.6
121.10105	16.0
123.11678	6.2
125.09599	97.3
130.07755	4.4
131.08501	20.3
133.10097	14.1
135.08040	7.0
135.11623	14.1
145.10118	43.6
147.11652	7.7
159.11646	19.1
165.12703	8.5
182.17039	3.8
187.06311	3.4
201.16386	28.6
219.17429	22.2
267.48151	3.4
294.02390	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	397.1466
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.01862	0.6
57.03424	1.3
61.02913	2.7
63.06415	0.6
65.84389	0.5
67.05478	1.4
68.53675	0.6
69.03401	3.4
69.07034	1.1
70.06577	1.3
71.04975	2.8
73.02893	1.3
78.14127	0.7
79.05476	1.1
81.03412	1.1
81.07030	2.7
85.02898	8.2
85.06526	1.4
91.05461	1.5
91.68899	0.6
92.08810	0.6
93.07027	3.7
95.08585	3.2
97.02867	3.6
97.06490	1.2
98.97590	0.7
99.04417	1.0
105.06952	0.9
107.08595	3.3
108.08932	0.6
109.02852	0.7
109.10121	0.9
111.08096	0.8
120.20665	0.6
121.06489	0.9
121.10110	2.7
123.04377	0.6
135.08017	3.8
136.08372	1.1
139.07491	1.4
145.10086	1.0
146.10426	0.7
153.12721	1.1
157.08601	0.8
158.08939	0.8
163.07491	0.8
163.11171	1.2
164.11566	0.8
181.12221	2.5
182.12544	1.3
185.04144	2.4
189.05283	1.3
199.13297	3.2
200.13635	1.2
217.10693	1.2
219.06367	3.0
234.08577	12.9
234.98865	0.9
235.09270	5.3
239.05818	1.5
249.56946	0.6
304.17526	0.7
397.14627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
54.81318	0.4
55.01863	2.2
56.96529	0.4
57.03419	2.1
57.29387	0.4
59.04980	3.0
61.02894	0.8
65.03931	0.9
67.05480	1.9
69.03407	3.4
71.04978	7.5
73.02882	0.6
79.05472	15.7
79.05902	0.9
81.03397	5.2
81.07041	3.2
83.04955	2.0
85.02882	9.2
85.06528	1.0
87.04427	2.1
91.05463	13.7
93.07023	3.8
95.04937	2.3
95.08578	0.6
96.13483	0.4
97.02872	3.2
97.06513	4.2
99.08047	0.4
101.05983	0.7
105.07027	4.5
107.04936	27.7
107.08576	12.7
109.06510	7.2
111.04413	0.8
111.08071	0.5
115.63509	0.4
117.06992	6.1
119.06037	0.6
119.08572	1.7
121.06477	100.0
123.07993	1.8
125.05921	0.8
127.03908	0.7
127.07531	7.6
135.08028	73.6
137.09624	1.1
145.04915	2.1
149.09592	35.2
153.09081	9.7
153.10213	0.7
167.10635	20.3
167.12068	0.7
185.11694	9.7
217.14293	13.7
237.02721	0.5
245.88293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01583	0.3
53.03941	0.7
55.01868	1.8
55.05504	0.6
57.03426	1.9
65.02571	0.4
65.03930	0.4
66.04721	0.5
67.05498	1.6
69.07048	4.0
73.92787	0.3
75.23045	0.4
75.23492	0.3
75.47064	0.3
77.03899	0.6
79.05479	11.0
81.03426	0.5
81.07037	3.6
90.04661	0.9
91.05465	12.7
92.06295	0.6
92.08590	0.8
93.03394	0.4
93.07023	4.6
94.04204	0.4
94.34574	0.3
95.04961	3.0
95.08598	1.6
100.35971	0.3
103.04764	0.5
103.05451	13.1
104.06261	1.8
105.07016	88.8
107.04939	5.3
107.08587	2.4
108.05730	0.9
109.02832	2.7
109.06514	3.6
109.10133	1.6
115.05448	2.1
117.07016	5.4
118.04144	31.7
119.04939	2.8
119.08562	100.0
120.05700	4.0
121.06485	3.7
121.10140	2.0
122.07284	3.5
123.08031	0.6
123.11669	0.7
124.05190	13.7
131.04900	2.0
131.08542	0.6
132.05669	0.7
132.18314	0.4
133.06474	36.8
133.10107	8.5
134.07251	4.1
135.04376	4.2
135.08026	8.5
135.11711	0.6
137.05959	3.1
139.07518	0.6
145.10176	0.5
147.04347	0.7
147.11646	4.2
148.05139	0.9
149.05894	0.7
150.05521	0.5
150.06752	15.4
151.07506	4.1
154.06223	2.5
161.05943	6.0
161.13235	7.7
163.07520	2.3
165.05405	0.7
165.09088	19.7
175.07495	1.0
178.06241	0.9
179.42110	0.4
180.07785	6.8
187.14796	0.7
193.08575	65.8
195.10098	4.1
203.17924	8.5
253.79024	0.4
313.57291	0.4
324.70325	0.4
364.44669	0.4
397.26834	0.7
398.71338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78332	0.9
51.43297	1.0
53.03933	4.8
55.01857	7.0
55.05505	14.7
57.07072	1.4
67.05488	18.7
69.03419	4.7
69.07063	10.8
71.04971	11.5
72.73752	1.3
79.05474	20.3
80.85320	1.2
81.03375	1.8
81.07029	23.7
83.04961	2.9
83.08585	1.5
85.06576	1.6
87.40331	1.4
91.05458	38.4
93.07022	100.0
95.04950	14.4
95.08572	14.8
97.06519	3.0
99.04439	18.8
103.05496	1.3
105.04546	1.3
105.07007	25.3
106.07806	9.4
107.08573	32.4
109.02867	7.0
109.06492	26.6
109.10121	10.1
110.03635	2.4
111.08075	22.7
117.07013	3.1
119.04906	2.8
119.08549	18.4
121.06463	5.6
121.10124	22.6
123.08025	9.3
123.08813	1.2
123.11679	1.5
124.08833	7.4
125.05980	6.9
125.09588	2.1
129.06992	1.5
131.08542	8.8
133.06482	3.1
133.10114	6.4
134.07253	2.5
135.08051	6.3
135.11653	17.2
137.05949	86.1
137.09593	1.5
139.07541	1.3
143.08586	1.9
145.10130	11.8
147.08063	4.6
147.11685	7.9
147.97375	1.1
149.09564	3.1
151.07523	1.5
151.11188	2.2
152.08290	38.7
153.12630	1.6
159.11694	2.4
163.11151	17.9
164.11871	2.5
165.12679	2.6
167.10530	1.4
169.12477	1.4
173.13211	2.8
174.10373	2.3
175.11113	1.3
177.12831	1.2
179.10599	1.8
180.71883	1.2
181.12196	64.3
191.10687	1.2
191.14207	2.3
192.11450	2.5
194.13048	2.0
207.13823	2.4
209.11690	1.7
210.12491	7.3
334.19620	1.3
374.73401	1.4
401.97525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37839	0.5
53.03931	3.0
55.01870	5.3
55.05513	6.6
56.86172	0.6
57.07055	0.8
59.04982	0.6
67.05508	5.8
67.94151	0.7
69.03421	1.0
69.07056	5.1
79.05479	14.9
81.07039	13.8
83.04951	2.6
83.08597	3.7
85.06522	1.3
91.05459	20.7
93.07026	100.0
94.07333	0.9
95.04950	8.4
95.08587	10.8
97.06537	1.3
97.10098	0.9
105.04490	1.2
105.07021	9.1
107.08579	32.9
109.06510	3.0
109.10134	6.7
111.08067	14.7
117.06998	1.4
119.08553	5.0
121.06421	0.8
121.10136	6.8
125.09621	5.8
131.08505	2.9
133.10136	3.2
135.07074	1.3
135.08037	25.9
135.11676	30.3
139.07480	0.8
143.08598	1.0
145.10077	3.4
147.11630	3.4
149.09601	3.9
149.13248	8.1
153.09081	35.6
157.10098	1.4
158.10416	1.6
163.14746	1.1
167.10707	0.9
173.13211	2.8
181.15846	7.3
191.14262	3.2
198.60117	0.7
199.14984	0.8
209.15324	33.0
227.16377	8.9
238.75880	0.7
273.98169	0.8
320.92953	0.7
366.63321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04235	0.7
53.03930	4.6
55.01862	8.1
55.05497	11.6
60.93167	1.0
63.15192	0.8
67.05479	8.6
69.03410	23.7
69.07043	17.2
71.04967	8.7
75.27209	0.8
76.57014	1.3
77.03918	0.9
79.05473	9.1
81.07036	25.3
83.04969	1.3
83.08591	5.3
85.02859	1.0
85.06522	4.7
91.05453	36.6
91.06000	2.0
93.07018	100.0
95.04951	16.2
95.08581	14.5
97.06512	2.3
104.79885	1.0
105.04496	2.0
105.07008	19.8
107.08575	28.5
109.06496	6.2
109.10152	4.4
110.09645	1.1
111.08060	26.9
117.06995	1.5
118.42815	0.9
119.08528	11.0
121.10102	7.7
123.08046	7.6
123.11698	2.2
125.09606	0.9
129.06912	1.1
131.08540	5.0
133.10107	8.9
135.08000	1.9
135.11650	1.5
137.09590	1.1
143.08527	1.2
145.10109	2.3
147.11639	11.8
149.09575	2.1
157.10181	1.1
159.11690	1.7
165.12715	35.3
175.11189	1.1
193.15814	1.1
217.15913	2.0
235.16835	1.7
276.22534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27312	0.4
53.00303	0.5
53.03935	0.8
54.55743	0.4
55.01849	1.7
55.05505	2.9
56.96547	0.8
59.03429	0.3
59.27718	0.3
65.03924	5.0
67.05492	13.4
69.03421	0.8
69.07060	3.6
71.04975	0.9
73.60815	0.4
79.05470	7.1
81.03367	0.4
81.07031	10.2
81.76795	0.4
83.04973	0.8
83.08588	0.9
83.88950	0.5
85.06524	0.6
91.05455	10.1
93.07022	18.4
95.04945	100.0
95.08586	4.8
97.06526	0.5
98.97572	8.2
103.05452	2.2
105.07009	10.0
107.04929	0.9
107.08572	6.8
109.06489	4.8
109.10142	4.4
111.04396	0.5
111.08083	4.2
113.05975	0.4
115.05417	1.8
116.06182	0.5
116.98595	10.2
117.07011	2.3
118.04144	1.0
119.04943	0.9
119.08563	9.6
121.06473	1.8
121.10124	3.6
123.08061	1.6
123.11704	2.5
124.05151	0.8
125.09605	1.5
128.06131	0.5
129.07005	0.9
131.04868	0.8
131.08551	1.0
133.06482	3.3
133.10106	4.2
134.99629	6.1
135.08040	1.0
135.11682	1.8
137.09604	0.7
143.08572	0.7
145.10107	2.0
145.70605	0.4
147.04391	0.7
147.08040	1.6
147.11665	5.7
149.06012	0.8
149.09560	0.7
153.00665	0.8
157.10124	0.9
159.11649	1.6
161.05994	2.2
161.13242	1.8
162.06799	0.6
163.11166	0.5
167.07085	0.8
177.05479	0.4
179.10608	0.5
191.07019	0.7
192.07800	6.7
193.08594	2.3
195.10129	0.5
203.17953	6.7
204.18452	0.5
207.10175	0.4
221.19090	0.5
235.02586	0.5
267.12830	0.4
290.51495	0.4
295.12018	0.6
319.15732	1.8
337.12964	2.3
337.16904	5.0
355.13968	1.9
355.17929	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	396.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63508	1.6
53.03928	8.1
55.01860	8.0
55.05499	11.9
57.07071	2.8
62.40948	1.7
66.30993	2.0
66.40962	1.9
67.05506	13.5
68.62717	1.5
69.03411	2.0
69.07057	10.1
70.12708	1.7
71.04976	8.3
72.26392	1.7
73.95872	2.0
79.05478	14.8
81.07035	30.8
83.04983	7.7
83.08588	3.9
85.06543	4.0
89.06012	10.4
90.06326	2.6
91.05457	36.9
92.08582	3.3
93.07025	100.0
95.04935	16.5
95.08596	14.1
97.06486	2.6
99.04424	3.9
101.28224	2.0
105.07016	34.1
107.08578	52.2
109.06525	10.9
109.10136	11.0
110.10526	1.8
111.08060	23.3
119.08569	12.8
121.06491	3.7
121.10101	10.0
123.08025	7.7
125.06021	2.6
125.09607	45.4
128.06206	2.1
131.08563	8.5
133.10104	7.5
135.11661	17.0
137.05969	26.4
143.08583	2.5
145.10147	10.1
147.11656	7.8
149.09625	7.4
152.08311	14.2
157.09964	2.3
159.11719	2.9
161.13097	2.8
163.11185	7.5
175.11349	2.0
181.12204	26.5
195.12210	3.5
207.13745	2.4
217.15952	2.8
217.38600	2.3
227.38588	2.4
300.37634	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	396.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13944	0.8
53.03941	4.9
53.05230	0.7
55.01870	9.3
55.05508	12.8
57.07050	0.8
67.05503	8.2
69.03068	1.5
69.03420	28.7
69.07055	18.9
70.13427	0.8
71.04974	11.3
75.70949	0.7
77.03900	1.3
79.05480	13.1
81.07043	26.8
83.04973	4.5
83.08606	5.4
85.06538	6.6
90.78158	1.0
91.05464	40.0
91.06003	1.7
93.07025	100.0
94.47952	0.9
95.04958	14.7
95.08582	18.2
97.06515	4.8
98.97567	1.0
99.08112	1.3
105.04478	1.5
105.07023	22.1
107.04951	1.1
107.08578	30.3
109.06520	7.3
109.10140	3.8
111.08067	31.5
112.12141	0.8
117.06989	1.2
119.08551	10.9
121.06477	1.1
121.10127	10.7
123.08044	10.0
123.11699	1.8
125.08852	0.8
125.09654	5.9
127.07531	1.7
129.06969	1.5
131.08549	8.3
133.10110	12.0
135.08070	1.0
135.11685	4.4
137.09685	1.0
137.13176	1.0
142.07771	1.3
143.08557	1.3
145.10130	5.6
147.11691	11.9
149.01207	1.1
149.09650	2.0
156.03627	0.8
157.10103	3.5
159.11702	1.7
165.12726	38.6
173.13164	1.6
177.12712	1.0
180.31647	1.0
197.13019	0.9
217.15883	2.1
257.22696	1.5
285.22223	2.1
314.71414	0.9
376.45517	1.2
390.60394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01867	2.5
55.02168	1.0
55.05507	6.0
56.22060	0.9
56.96554	1.0
57.03427	1.8
57.07066	6.6
59.04987	2.4
64.16438	1.1
67.05490	21.9
69.03416	10.5
69.07057	30.6
71.04975	6.6
71.15910	1.1
74.06011	1.2
79.05476	24.2
81.07038	74.4
83.04986	2.9
85.06528	2.6
91.05463	23.3
93.07024	27.5
95.04948	21.8
95.08579	11.9
97.06529	1.4
103.05437	10.5
104.06229	1.4
105.07014	52.0
107.04957	5.3
107.08581	16.8
109.02898	2.0
109.06499	30.0
109.10146	26.2
111.08083	4.9
115.05454	5.0
117.06978	2.0
118.04142	26.5
119.04961	2.4
119.05982	1.4
119.08563	1.4
120.05681	2.6
120.95058	1.1
121.06483	2.8
121.10106	2.3
122.07349	1.7
123.08047	6.2
123.11684	33.0
124.05205	9.9
131.04869	2.3
131.08524	2.2
133.06462	35.7
133.07391	2.0
133.10107	29.8
134.07243	5.0
135.04404	2.9
135.08046	8.9
137.05972	2.8
147.04388	1.8
149.05939	1.5
150.06721	14.1
151.07576	4.8
151.11151	24.0
154.06329	1.9
157.69675	1.2
161.05937	9.1
162.06694	1.5
163.07562	1.9
165.09090	23.0
175.07596	1.3
180.07791	1.5
192.07782	8.8
193.08574	100.0
195.10138	2.1
207.10280	1.7
237.11212	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	395.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79121	1.1
53.03930	1.1
54.52988	0.9
55.05507	19.4
56.77005	1.5
57.03432	2.4
57.07065	7.9
58.45889	1.1
60.72186	1.0
61.84937	1.0
67.05495	51.8
67.34277	1.2
69.07053	13.1
71.04987	7.1
73.02950	1.2
73.23723	1.2
77.96852	1.2
79.05470	8.2
81.07041	92.6
83.04980	2.8
83.08602	8.0
85.02886	1.9
85.06535	6.9
87.08094	1.4
91.05482	6.3
93.07025	12.5
95.04967	2.3
95.08588	72.8
97.06517	3.1
97.10125	2.9
98.97580	5.3
99.04478	1.6
105.07012	14.5
107.08591	8.9
109.06490	2.6
109.10123	10.0
111.69974	1.6
116.98633	2.7
119.08572	11.4
121.10130	6.3
123.08059	2.6
123.11629	2.2
125.11382	1.3
133.10112	7.5
135.11688	16.0
137.09570	1.4
137.13237	100.0
137.51933	1.2
145.10187	1.8
161.13235	16.0
163.11169	2.8
164.11520	1.8
170.08862	1.7
179.14294	13.7
197.15387	6.7
197.19078	1.4
215.16399	41.5
222.64293	1.6
227.12793	1.6
228.13065	2.3
233.17448	7.6
235.74556	1.4
355.17712	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	396.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
54.81828	0.7
55.01863	5.2
55.05502	3.1
56.55059	0.8
57.03425	4.9
61.02898	3.1
65.24677	0.7
67.05493	5.8
68.13791	0.8
69.03409	6.5
69.07047	1.2
73.02898	1.1
78.04170	0.7
79.05474	27.1
81.03411	3.9
81.07027	11.7
83.04982	1.0
85.02887	22.8
87.04449	5.1
91.05486	6.8
93.07018	44.1
97.02865	4.0
97.10153	1.8
99.04424	1.0
107.04895	0.9
107.08578	44.9
109.06515	6.6
109.10162	1.1
110.97431	0.8
111.08076	20.6
115.03913	5.7
116.95851	0.9
117.06986	11.6
125.09615	30.5
125.10534	1.0
127.03916	1.3
127.07542	3.7
131.03362	1.1
135.08034	58.9
153.09088	100.0
155.07008	14.5
158.37166	0.9
161.05656	0.7
163.07561	0.8
171.10127	43.5
181.08562	22.4
187.71962	0.9
199.09615	40.1
199.11424	1.7
207.45604	0.9
217.10675	56.7
340.38614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.4
54.81655	0.4
55.01869	1.0
55.05515	0.6
57.03426	0.6
59.04995	3.2
61.02901	0.4
63.30012	0.4
67.05484	0.5
67.23240	0.4
69.03403	1.9
69.07055	0.6
71.04984	8.7
79.05478	16.6
81.03412	6.0
81.07050	3.9
83.04962	2.2
85.02879	2.5
85.06528	0.8
87.04452	2.3
91.05453	4.1
92.08677	0.8
93.07026	5.5
95.04962	1.9
95.08585	2.1
97.02902	0.5
97.06530	4.7
99.08068	0.5
101.05960	0.7
105.04481	0.6
105.07017	4.0
106.33324	0.4
107.04944	22.8
107.08582	13.7
109.06515	8.0
111.08104	0.5
117.07025	2.6
119.08556	0.6
121.06490	100.0
121.10114	2.0
123.08082	0.8
125.06030	0.6
125.09588	0.8
127.07550	8.1
134.07291	0.5
135.08038	81.0
137.09587	0.9
142.00719	0.5
147.07848	0.5
149.09608	41.8
153.09085	11.3
163.11195	0.6
167.10652	21.9
177.89725	0.5
181.12219	1.7
185.11705	11.6
199.13326	1.9
217.14339	37.8
273.70435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
55.01852	3.7
55.05497	7.6
56.96573	1.7
57.03440	1.9
57.07074	3.1
59.04976	2.7
62.86019	1.5
65.03933	2.5
67.05498	25.3
69.03413	8.1
69.07055	21.4
71.04973	19.3
71.87717	1.6
79.05466	26.3
81.07037	79.7
83.04977	2.6
85.06512	3.5
91.05455	43.0
93.07021	32.7
95.04330	2.1
95.04944	70.0
95.08578	15.0
98.97569	7.3
103.05454	15.8
105.07012	100.0
107.04935	3.2
107.08569	12.9
109.06499	48.9
109.10146	29.6
115.05442	7.6
116.98596	8.7
117.06998	3.5
117.78738	1.7
118.04137	20.8
118.10715	1.8
119.08565	9.6
120.05685	2.6
121.06474	10.5
121.10096	2.8
122.07240	2.2
123.08022	6.7
123.11679	37.2
124.05171	13.8
125.85457	1.8
131.04901	1.7
131.08562	7.8
133.06468	54.2
133.10115	67.3
134.07237	8.3
135.04398	2.6
135.08043	10.1
137.05978	4.0
147.04416	2.3
147.08034	2.1
147.11674	2.6
150.06764	19.2
151.07526	2.3
151.11174	38.2
154.06245	10.7
161.05972	10.6
163.07506	4.4
165.09073	24.3
192.07782	9.8
193.08582	94.0
195.10176	8.1
207.10103	8.0
225.24588	1.7
337.16837	2.4
355.18240	2.7
413.84720	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98510	0.4
53.03944	1.6
55.01871	3.0
55.05508	2.5
56.27234	0.3
57.07067	6.0
59.05008	0.3
62.82570	0.4
67.05494	1.9
69.03403	0.4
69.07073	3.2
79.05482	1.8
81.07037	5.3
83.04953	0.9
83.08601	1.8
91.05462	11.6
93.07026	33.5
95.04939	4.6
95.08588	1.1
105.04484	0.6
105.07012	6.3
106.77541	0.4
107.08562	4.0
109.06500	0.7
111.08062	10.4
115.05419	0.5
117.06982	0.8
119.08553	1.7
121.06482	2.7
128.06198	2.0
129.06996	2.8
130.07710	0.5
131.08574	2.6
133.10089	0.9
135.08037	1.0
135.11664	1.9
141.06979	0.9
142.07770	16.4
143.08537	14.1
145.06425	0.8
145.10104	6.5
146.07225	0.5
151.02740	0.5
155.08536	4.2
156.09323	6.1
157.10109	100.0
158.07236	3.0
158.10530	0.8
159.08026	37.3
159.11642	0.7
161.09628	2.1
161.13191	0.6
166.88823	0.4
169.10065	0.8
170.10840	6.8
171.11665	26.4
172.08806	0.6
173.09578	9.4
174.10442	0.7
174.94130	0.5
175.27002	0.4
184.12431	6.3
186.10309	0.6
199.14793	85.1
200.11855	0.5
215.14276	15.6
279.70023	0.4
296.96356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21583	1.1
54.81969	1.4
55.05495	1.4
56.96567	1.1
57.02602	1.1
67.08817	1.2
73.45699	1.3
75.95141	1.3
85.02963	1.6
88.25706	1.2
95.04950	3.2
105.06984	1.5
108.94581	1.2
110.85881	1.4
111.14073	1.2
116.98673	1.5
125.85236	1.4
165.05563	1.6
166.04973	1.7
199.08627	3.3
200.09447	3.2
211.08641	5.9
212.09261	2.7
213.10213	12.0
215.11760	19.3
217.09680	2.0
225.10101	10.7
226.11131	1.7
227.11687	1.4
229.09618	5.0
234.98903	2.1
239.08113	8.5
239.11790	6.6
239.61409	1.4
240.08908	2.7
241.09644	7.5
241.13403	6.2
242.10486	9.3
243.11259	20.0
245.09215	2.2
253.09697	10.7
257.09061	10.0
257.12677	4.1
259.10797	6.1
263.10254	7.4
267.11212	6.9
268.08267	2.2
269.12805	7.7
269.35040	1.4
271.10724	50.5
275.10251	3.3
285.12390	10.5
286.09451	1.4
287.13928	2.2
295.10724	2.9
297.12238	14.5
303.09677	2.3
313.11859	11.8
315.13287	9.4
321.10553	2.4
323.10187	5.8
331.12772	5.5
333.14566	1.8
341.11255	10.0
349.14319	1.8
359.12247	23.5
371.05118	1.4
377.13330	21.6
395.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01862	2.7
55.05501	4.3
55.74837	0.6
57.07069	4.8
59.05004	0.5
67.05488	1.2
69.07049	2.9
71.04971	0.9
79.05479	3.4
81.07047	6.3
83.08614	2.6
91.05462	16.2
93.07023	44.1
95.04952	4.8
95.08584	1.3
97.17477	0.6
105.04497	1.0
105.07004	6.7
107.08580	6.2
108.96329	0.6
109.06523	0.6
111.08082	9.7
119.08552	2.4
121.06505	4.1
123.11742	0.8
128.06171	1.1
129.06976	3.7
131.08539	3.5
133.10098	2.7
135.11676	1.4
141.07021	0.7
142.07751	16.1
143.08542	14.8
145.06491	1.1
145.10114	6.5
146.07291	1.4
147.08000	1.4
149.09660	1.2
152.63303	0.7
155.08553	4.0
156.09329	5.2
157.10110	100.0
158.07295	1.4
159.08026	38.0
159.11609	1.3
161.09575	3.0
169.10097	1.2
170.10898	6.7
171.11661	23.8
172.08711	1.4
173.09604	10.0
184.12442	6.8
185.09564	1.2
199.14795	83.9
201.16327	2.3
215.14281	18.7
250.40656	0.7
340.00098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01876	4.8
55.05508	5.1
57.07069	5.5
67.05491	2.4
69.07053	3.4
79.05474	4.2
81.07047	7.4
81.96835	0.5
83.04949	2.1
83.08595	1.5
85.06548	0.6
89.10123	0.6
89.72831	0.6
91.05464	17.3
92.08727	0.8
93.07030	50.9
95.04947	6.2
95.08588	1.3
105.04517	1.4
105.07016	8.7
107.08590	5.3
109.06508	1.0
109.10139	1.0
111.08070	16.1
117.07045	1.1
118.96810	0.6
119.04942	0.7
119.08552	3.8
121.06498	6.0
121.10167	1.2
128.06204	1.3
129.06963	4.4
131.08525	4.3
133.10147	5.2
135.07991	0.9
141.06969	1.2
142.07780	15.1
143.08548	13.1
145.06477	1.3
145.10094	10.2
146.07271	3.1
147.07990	1.2
147.11710	0.8
155.08548	4.8
156.09335	6.9
157.10112	100.0
158.07253	3.9
158.10637	0.8
158.78333	0.8
159.08032	61.0
159.11621	1.0
161.09593	4.7
170.10889	5.8
171.11658	21.9
172.08789	5.9
173.09601	21.0
175.07559	3.9
175.35110	0.6
184.12466	4.9
189.09200	0.8
199.14796	73.9
200.11787	0.6
200.15115	1.0
207.10176	3.9
215.14291	28.9
254.90349	0.6
332.21390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01848	3.0
55.05500	2.6
57.03413	2.2
57.07057	3.3
61.02896	2.3
63.18436	0.4
67.05491	3.8
68.84710	0.4
69.03419	5.8
69.07056	3.7
70.00581	0.4
71.04967	2.0
71.08603	3.0
71.87059	0.4
73.02882	0.8
79.05473	3.4
81.03398	10.5
81.07039	21.2
83.04929	0.8
85.02890	19.5
85.06513	3.0
91.05450	2.0
93.07022	3.9
95.04941	2.5
95.08579	3.0
97.02882	4.5
97.06505	1.8
98.97545	0.8
99.04435	3.3
99.08080	0.9
100.65287	0.5
102.40753	0.4
105.07014	5.7
107.08578	3.6
109.02859	2.0
109.06497	7.4
109.10143	2.1
111.04384	0.6
111.08090	0.5
116.98609	0.5
119.08600	0.7
121.10122	0.8
123.04436	0.7
123.08058	1.0
123.11700	5.1
125.05976	4.9
127.03861	3.8
131.08517	0.7
133.10110	5.3
135.11678	0.6
137.05966	17.6
141.05444	8.8
143.08534	0.8
145.04915	0.9
151.07466	0.7
151.11160	10.2
153.12749	0.6
161.09601	2.9
169.08524	1.7
176.64665	0.5
179.10654	11.6
197.11702	100.0
215.12755	1.0
227.12813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00333	0.8
53.03933	3.0
55.01862	1.1
55.05507	9.3
56.70790	0.7
56.85685	1.0
57.03416	4.7
57.07058	4.2
59.04981	1.2
60.43290	0.7
61.02914	1.8
63.12482	0.9
67.05492	16.2
68.59596	0.7
69.03404	6.1
69.06702	1.1
69.07043	11.6
69.87694	0.7
70.34364	0.6
71.04988	6.2
71.08616	7.4
73.02894	1.3
79.05473	9.3
81.03406	5.9
81.07039	73.5
83.04972	6.4
83.08592	1.1
85.02889	13.7
85.06532	1.6
91.05459	5.2
92.09307	2.8
93.07033	16.8
95.04945	10.5
95.08598	9.2
97.02864	3.8
97.06515	9.4
99.04427	11.8
99.08066	5.0
105.07034	8.5
107.08579	13.5
109.02833	1.2
109.06499	29.4
109.10135	14.9
111.04416	3.6
113.05967	0.9
116.92622	0.7
121.06487	1.6
123.04401	10.2
123.08064	5.3
123.11682	96.6
125.05948	6.9
127.03867	8.2
127.07544	1.2
131.08492	0.8
133.10098	17.6
135.08089	1.2
137.06000	5.9
141.05449	5.4
143.08470	1.7
151.11162	53.9
153.12730	5.2
161.09612	8.8
161.13406	0.7
169.12204	14.8
179.10628	27.7
197.11699	60.0
215.12749	100.0
284.15714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22166	0.1
53.03926	0.3
55.01857	2.7
55.05309	0.2
55.05506	2.9
57.03414	0.8
57.56968	0.2
64.99814	0.2
69.03404	0.2
69.07050	0.2
79.05470	1.1
81.03430	0.2
81.07038	10.8
83.04964	0.3
83.08594	0.3
85.02877	1.2
85.06496	0.3
91.05463	0.3
93.07006	0.8
95.04948	0.4
95.08577	0.3
97.06478	0.3
99.04421	1.0
105.07008	1.6
107.04935	1.1
107.08570	1.2
109.06503	6.1
109.10115	0.3
111.04408	0.2
119.08540	0.8
123.11697	0.3
125.05970	17.8
127.03892	6.9
129.86137	0.2
131.08553	0.2
133.10114	2.5
135.11684	0.4
137.05957	100.0
138.06317	0.3
139.07518	0.4
143.08510	0.9
147.04419	0.2
150.91850	0.2
151.11163	0.8
161.09607	4.3
167.14311	0.3
179.10641	25.6
183.03285	0.2
189.17395	0.2
197.11699	30.4
209.15302	1.0
216.08862	0.3
217.09097	0.3
241.09030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
55.05505	3.6
57.03425	5.8
57.07066	10.6
59.04993	0.9
61.02919	1.0
66.32471	0.7
67.05495	15.6
69.03411	6.3
69.07049	8.6
71.04970	1.4
73.02901	7.3
76.56316	0.8
79.05473	6.6
81.07034	19.8
82.52868	0.7
83.04973	3.5
85.02903	1.9
85.06531	12.0
85.69677	0.8
86.47878	0.7
91.05482	2.0
91.26320	0.7
93.07023	39.2
94.46525	1.0
95.04955	1.7
95.08588	4.6
95.19624	0.9
97.02871	1.3
97.06528	3.5
99.04432	3.7
101.06008	3.3
105.06996	8.9
107.04930	7.0
107.08575	27.6
109.06509	3.9
109.10144	4.0
111.08067	0.9
111.11703	1.0
113.06017	1.3
117.06956	1.0
117.81659	0.8
119.08559	12.7
119.20723	0.9
121.06487	5.0
121.10127	100.0
123.11739	1.7
124.62021	0.8
125.05991	1.1
126.09151	1.5
131.08627	1.1
133.10107	1.0
135.08043	3.5
135.11679	19.8
137.13266	1.0
139.07541	7.8
139.11191	5.2
139.35161	0.8
139.36548	0.9
145.10124	13.3
149.09631	1.9
150.02678	1.2
153.12733	3.3
159.03671	0.8
163.11151	55.5
167.07007	1.2
167.10620	1.6
181.12199	77.1
191.10648	19.5
197.11665	9.7
209.11696	13.1
219.66611	0.9
227.12744	16.1
232.13338	0.9
245.13795	29.8
393.18698	1.8
394.18936	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	394.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87979	0.7
55.01863	1.1
55.05503	4.6
56.96558	25.7
57.07060	2.1
67.05489	4.3
69.07051	7.4
71.14050	0.8
71.95258	1.0
73.87498	0.9
79.05466	7.4
81.07043	13.7
83.08611	1.8
84.96008	4.7
87.42572	0.8
91.05473	10.0
92.09257	1.9
93.07021	13.2
95.04953	2.2
95.08611	8.2
98.97563	100.0
105.07027	10.7
107.08569	15.3
109.06477	1.9
109.10155	8.8
116.98602	98.1
117.06998	3.5
119.08550	9.7
120.08917	0.9
121.06486	4.2
121.10117	7.3
123.08045	1.0
123.11697	2.2
131.08537	7.1
133.10107	5.5
134.99640	65.1
135.08041	2.2
135.11696	6.7
137.13222	1.1
143.08522	1.3
145.01775	1.1
145.10094	15.7
149.02328	1.4
149.09607	1.3
153.00679	15.3
158.01190	1.3
159.11678	9.7
163.11148	1.4
175.14780	1.6
191.17972	5.5
197.08142	0.9
199.02670	1.0
201.16345	8.0
219.17462	2.2
265.11124	1.0
275.13174	3.8
279.08926	0.9
279.12500	1.5
281.14182	4.3
283.12097	1.0
292.09921	1.4
293.10748	1.3
293.14182	8.2
299.15189	1.7
301.52972	1.2
307.16040	1.2
309.13824	3.6
311.11829	1.4
311.15182	12.4
317.14261	1.6
329.16241	6.9
335.15225	27.3
353.16266	70.0
371.17325	60.7
376.17947	1.1
389.18356	4.0
394.18900	1.7
412.53616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50786	0.9
53.44118	0.9
53.60790	1.0
54.81443	1.0
55.05500	6.1
56.96284	1.2
56.96561	28.1
57.07068	2.3
65.80939	1.0
67.05501	7.5
69.07059	8.5
71.08595	0.9
71.95261	1.1
79.05476	6.7
81.07046	16.9
83.04951	1.3
83.08607	4.4
84.96024	5.3
91.05484	7.2
92.08720	1.1
93.07032	17.8
95.04935	2.2
95.08593	16.9
97.02887	1.0
97.06504	1.3
97.10160	2.2
98.97566	99.4
101.60416	1.0
105.07029	15.3
107.08582	21.1
109.06536	3.2
109.10145	11.2
116.98604	100.0
117.06982	5.2
119.08566	12.9
121.06483	6.9
121.10128	13.6
123.08034	3.7
123.11678	6.3
128.06229	1.2
131.08543	5.1
133.10092	6.3
134.99644	73.1
135.07991	10.3
135.11694	13.0
137.05861	1.1
137.09590	1.3
140.00180	1.6
145.10129	18.9
147.11617	1.6
149.02266	1.5
149.09605	1.3
149.13243	2.0
150.02646	1.4
151.02803	1.3
153.00673	15.6
158.01193	1.1
159.11655	7.6
161.13188	1.1
163.11131	1.1
173.13252	1.0
191.17899	10.3
199.02641	1.0
201.16330	5.4
209.04628	1.2
219.17371	2.3
223.06380	2.0
225.04460	1.2
225.07964	4.3
239.09505	1.9
251.05913	1.2
255.08939	1.1
275.13452	1.5
279.12552	1.8
281.14093	2.4
293.14133	5.1
295.12387	1.4
297.13763	1.9
299.15356	2.1
311.15186	8.0
313.13242	1.2
317.14114	2.4
327.14664	1.2
329.16342	4.9
335.15216	33.8
353.11874	1.9
353.16293	58.7
371.17371	47.2
389.18347	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	394.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.96557	50.2
57.07064	2.4
59.04973	0.5
59.81977	0.5
65.05578	0.5
67.05485	3.0
69.03372	0.5
69.07047	3.4
70.06572	2.5
71.95245	2.2
77.15533	0.5
79.05471	3.3
81.07034	6.1
82.07384	0.6
83.08588	0.7
83.98447	0.5
84.96011	0.7
86.28300	0.6
88.07603	2.9
91.05457	6.3
93.07018	7.3
95.04951	1.3
95.08584	5.6
98.97563	93.1
102.09160	1.4
105.07021	8.7
106.07407	0.8
107.08563	6.6
109.06557	1.2
109.10137	2.8
112.99104	0.7
115.00684	0.9
116.98598	85.8
117.07013	1.0
119.08588	4.4
121.06498	2.8
121.10123	3.4
123.11710	0.7
131.08524	3.6
133.01747	1.1
133.10118	3.7
134.99635	54.4
135.11693	3.1
139.03868	0.6
140.00230	1.2
143.08482	0.8
145.10103	7.0
147.11661	2.5
149.01199	1.0
149.02318	15.1
149.03465	0.9
149.13184	0.8
150.02737	0.8
153.00710	9.8
155.08472	0.6
158.01233	0.9
159.11684	5.5
163.11070	0.9
175.14844	2.1
185.01218	2.3
193.04939	16.0
201.04276	0.8
201.16342	5.1
213.07848	0.7
219.05405	0.9
219.17487	0.9
223.06319	0.8
225.07924	2.4
227.05844	0.6
228.23122	5.8
237.18605	0.8
239.09454	1.0
241.11060	0.9
249.11490	5.4
251.05869	3.2
253.11050	3.2
255.08875	0.9
258.17239	0.7
259.12167	0.9
263.09412	0.8
263.13165	1.3
265.11029	2.3
267.12592	12.1
269.07071	0.8
274.16983	0.8
275.13068	0.7
279.08890	0.8
279.12610	5.9
281.11337	0.7
281.14078	4.3
283.12082	1.4
283.17535	1.1
285.13632	4.8
293.10834	1.7
293.14111	17.2
295.12277	1.2
297.13733	7.9
297.16959	1.0
299.15161	5.9
311.11768	1.5
311.15204	23.2
313.13220	3.0
317.14249	2.5
323.15256	6.2
329.16229	4.2
335.11398	1.1
335.15228	22.0
341.16235	9.0
353.16287	100.0
354.16678	1.0
371.17340	47.9
379.42419	0.8
389.18463	0.7
394.18872	3.3
394.26010	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	394.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02422	0.9
55.05485	1.2
56.96279	2.4
56.96556	59.5
57.07068	2.4
67.05484	2.3
69.07058	2.4
71.04995	1.8
71.95261	2.3
75.53153	1.3
79.05470	7.8
81.07044	12.4
83.08608	1.5
84.95985	1.8
91.05464	4.6
93.07008	8.4
95.04935	2.4
95.08579	10.3
98.97564	77.3
103.05458	1.6
105.07019	8.8
107.08569	8.5
109.10145	6.0
110.97575	2.2
111.08109	1.2
112.99100	15.3
113.19767	1.0
114.96876	1.2
115.00689	5.6
116.98598	54.3
119.08581	4.5
121.10146	4.5
123.08022	1.2
128.98572	5.5
129.02275	1.2
131.00148	33.0
131.01053	1.9
131.04922	7.4
131.08513	2.3
133.01762	2.1
133.10089	1.8
134.99640	33.8
139.02734	1.1
145.01706	1.8
145.10085	7.8
146.99699	2.2
149.01215	19.4
149.02335	5.4
149.09656	1.5
151.02679	1.1
151.11206	1.6
153.00694	6.9
159.03363	2.3
159.11694	5.5
173.01181	12.3
173.04773	1.7
173.13243	1.3
183.03204	1.7
185.04889	1.6
187.06361	1.7
188.60580	1.1
191.02245	33.3
193.04976	4.6
199.06415	2.4
201.16417	4.2
209.03244	1.5
209.08337	1.3
215.09447	1.6
219.17303	1.5
221.08551	1.6
222.03963	1.3
223.10004	1.5
225.07916	2.2
239.09404	2.3
241.11043	8.9
249.11475	1.5
251.09489	2.3
253.10934	2.5
255.12662	6.8
257.12277	1.8
259.12161	1.9
263.09381	1.3
267.09558	1.5
267.12625	7.1
275.13116	15.8
277.10971	1.9
279.09555	1.4
279.12720	4.7
281.14261	1.7
285.13715	21.1
287.15326	1.3
288.25452	1.3
291.12653	6.6
293.14182	75.6
297.13684	6.0
299.15408	2.1
303.14767	13.8
309.13687	4.7
311.15225	65.1
327.14792	1.1
329.16315	39.5
335.15189	2.4
336.85434	1.1
353.16327	35.5
353.20316	2.2
371.17346	100.0
372.53461	1.2
389.18506	7.2
394.18689	2.6
394.26501	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65249	0.4
53.03930	0.6
54.80813	0.5
55.01859	0.5
55.05499	1.3
56.96284	1.0
56.96555	24.7
57.07059	2.8
65.00285	0.6
65.00708	0.4
67.05479	3.6
69.03407	0.7
69.07041	2.9
71.04977	0.9
71.95252	0.7
79.05480	4.1
81.07034	8.2
83.04934	1.2
83.08580	1.0
84.96030	4.5
85.06553	0.9
91.05457	4.9
93.07018	10.4
95.04941	1.2
95.08572	5.1
97.06483	0.9
97.10145	1.2
98.97560	42.7
99.04404	0.8
103.05454	2.5
105.07014	6.6
107.04938	1.0
107.08561	7.6
108.08875	0.9
109.06506	1.3
109.10123	5.0
111.08066	0.9
115.18696	0.5
116.98595	47.6
117.06984	0.9
119.08553	5.8
121.06489	1.3
121.10104	5.3
123.08096	0.9
123.11671	2.9
129.06969	0.6
131.04890	5.5
131.08537	3.1
133.10081	3.7
134.99631	38.9
135.08031	1.4
135.11641	4.4
140.00139	0.6
143.00160	0.9
143.08549	0.8
145.01709	1.0
145.10103	5.2
147.03175	0.7
147.08035	0.7
147.11642	0.7
149.02333	2.2
149.09567	1.1
149.13286	0.6
151.11162	1.3
153.00668	7.3
157.10146	0.7
158.01219	1.0
159.11662	3.6
161.01164	0.7
161.13145	0.7
161.64952	0.6
162.99155	1.1
163.11127	2.5
175.11118	0.7
175.14835	0.6
181.05267	0.7
191.17880	2.2
198.02031	1.1
199.02734	3.1
201.16348	1.3
209.04726	0.6
219.06891	0.8
219.17360	1.1
221.08638	1.2
223.06392	3.0
223.10039	0.9
225.07910	0.8
229.07341	1.0
237.04370	1.3
237.07918	3.6
238.05066	0.7
239.05824	0.8
239.09451	4.8
241.07442	1.3
241.10989	3.0
243.08913	0.6
247.13660	0.8
251.13133	2.7
253.07367	1.0
253.10960	0.6
255.08965	3.4
256.14401	0.6
257.10513	2.8
263.13016	3.4
265.11093	5.1
265.14700	2.8
267.12671	1.2
269.07193	0.6
271.08411	1.1
275.09860	0.7
275.12875	4.3
277.10913	1.3
279.09290	1.7
279.12537	12.4
281.10934	1.0
281.14145	14.3
283.12137	4.7
283.15475	1.3
285.14114	0.6
291.12665	1.0
293.10620	2.5
293.14148	11.2
295.12030	4.5
297.10406	1.4
297.13635	11.3
299.15189	15.1
307.15744	0.7
309.13757	3.8
311.11575	3.5
311.15146	29.8
313.13144	9.8
317.14130	1.3
327.14835	2.5
329.16333	14.6
334.16586	0.7
335.15167	12.2
353.16275	100.0
371.17316	45.4
376.17422	0.8
394.18600	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	0.5
67.05491	0.5
68.05009	0.9
79.05480	0.8
81.07030	1.1
83.47668	0.5
85.06522	0.6
91.05463	0.5
93.07036	0.6
95.08559	1.0
107.08562	0.7
121.10098	0.5
126.17381	0.5
133.10075	0.9
135.11652	0.6
137.05956	2.6
149.02341	4.9
149.04640	0.6
150.02682	2.4
151.03955	0.6
155.10606	0.9
166.07187	0.6
188.66277	0.5
199.18660	0.5
201.06493	0.7
202.07254	2.7
203.08043	0.9
204.08800	7.0
207.93739	0.5
215.08005	2.4
216.08789	100.0
217.09592	3.7
218.10358	6.3
225.04414	0.8
225.06425	13.6
226.07188	5.9
227.08075	0.8
228.08778	0.7
229.09558	1.2
230.10313	11.2
240.08772	65.3
241.09514	2.8
242.10329	0.7
246.09814	7.8
258.09802	2.7
260.46924	0.5
268.08313	4.0
272.11389	4.1
283.09335	1.0
300.10861	34.8
333.13034	0.9
343.11279	0.7
350.03030	0.6
361.12360	2.8
375.14032	2.4
393.15079	19.5
393.19904	1.0
397.65524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21386	1.6
53.03930	3.8
55.01873	15.9
55.05511	3.2
57.03422	3.7
57.07066	25.7
64.59099	1.6
64.97928	1.4
69.07049	3.9
71.08612	11.8
71.25901	1.5
78.17673	1.4
81.03389	16.4
83.08595	3.3
85.10171	6.7
89.60774	1.6
109.02872	24.5
115.03920	9.4
123.04514	2.1
127.03904	100.0
127.89726	1.5
141.05472	1.7
149.02379	2.8
155.06985	1.8
183.10060	3.0
211.13319	1.9
225.14963	2.7
239.16479	3.0
253.17876	3.5
267.19342	2.5
295.22833	2.1
309.24298	2.2
339.64603	1.9
376.25745	3.4
393.33511	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	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52971	0.6
53.03942	1.1
55.01868	0.9
55.98201	0.5
57.03435	1.5
61.02916	1.4
61.86837	0.7
69.03419	6.4
71.04968	0.8
73.02888	0.7
79.05481	4.9
81.03411	2.8
83.43137	0.6
85.02895	23.2
91.05459	22.1
95.04986	0.6
97.02872	6.5
99.04425	1.0
103.05499	0.8
107.04942	13.0
109.02907	0.8
119.04920	64.1
120.08077	1.3
121.06483	8.5
122.03648	0.8
123.02230	0.6
123.04405	1.3
127.03915	3.6
135.04396	19.4
137.05956	53.5
137.12930	0.7
145.04967	3.5
147.04393	100.0
149.05963	11.9
151.07512	11.9
164.04703	1.2
167.06998	17.2
176.19766	0.6
177.05421	1.4
179.07007	66.2
191.06976	1.0
197.08040	5.0
275.08923	0.8
311.11099	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	392.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01877	1.5
55.05498	6.0
57.03419	4.1
57.07070	7.4
61.02924	4.0
65.03910	0.9
67.05504	6.9
69.03411	12.3
69.07062	8.4
71.04974	6.2
71.08607	6.4
73.02910	1.3
79.05473	11.3
81.03392	1.9
81.06583	1.7
81.07037	25.4
83.01345	0.9
83.04955	1.5
83.08599	5.9
85.02894	21.9
85.06528	100.0
89.84061	0.8
91.03960	1.1
91.05460	5.5
93.07025	33.1
95.04948	1.8
95.08593	14.2
97.02352	0.8
97.02849	7.5
97.06509	35.4
97.10117	1.1
98.97590	1.1
99.04463	1.5
99.08083	4.0
105.07008	10.4
107.08579	24.8
109.10159	6.5
111.08061	3.7
117.06990	1.2
119.08551	6.9
121.02847	3.4
121.06433	1.3
121.10118	60.9
123.08025	2.0
123.11685	1.8
125.09602	11.4
127.03912	1.5
127.07610	1.2
131.08546	3.8
133.06456	1.3
133.10100	2.0
135.11679	7.4
137.09598	3.9
137.13246	4.1
144.09337	1.1
145.04944	1.5
147.11681	1.7
149.02322	70.5
149.13243	28.0
150.02646	14.6
151.07530	1.5
159.11671	11.9
161.05940	1.2
165.12733	1.8
167.03333	3.5
167.06989	1.7
167.14209	7.0
169.60324	0.9
177.09076	11.9
177.12709	20.7
177.16357	12.5
192.64714	0.8
193.08496	4.3
193.69383	1.1
195.13768	41.8
195.17444	5.0
213.14828	24.1
213.18321	1.5
221.11653	1.3
241.86052	1.1
393.18747	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
54.64694	0.3
55.01873	0.6
55.05499	0.5
56.96561	0.4
57.03433	1.4
57.07072	3.6
59.04977	0.5
60.67741	0.3
61.02914	2.1
63.62910	0.3
65.03915	0.5
67.05505	1.4
69.03417	4.9
70.75377	0.3
71.04978	1.6
71.08620	2.4
79.05476	16.2
80.69653	0.4
81.03397	1.8
81.07050	2.7
83.01327	0.6
85.02890	10.6
85.06520	2.5
91.03941	0.5
91.05458	9.8
93.07028	5.0
95.04931	0.7
95.08582	0.6
97.02888	3.3
97.06492	0.4
98.97549	0.9
99.04443	3.5
105.07022	7.2
107.04950	4.0
107.08580	79.9
107.65156	0.5
109.02853	0.7
109.06532	4.9
109.10183	0.7
111.04469	0.7
111.08079	2.1
113.05978	0.9
115.03931	0.5
115.05440	3.4
116.98577	0.5
117.07008	9.8
119.06060	0.8
121.02810	0.6
121.10123	1.3
127.03889	1.3
127.81077	0.4
132.10683	0.4
133.06528	0.6
135.08032	100.0
135.11630	1.5
139.07506	0.5
139.11147	2.4
145.04922	0.5
149.02325	30.3
150.02647	6.4
153.09064	1.6
163.07515	82.7
164.07816	0.4
167.03345	1.9
167.06944	0.5
181.08566	23.0
195.10092	2.5
195.13756	0.6
207.10902	0.4
213.11198	32.1
267.30322	0.4
290.06900	0.4
311.46039	0.4
346.11243	0.4
392.17203	0.5
407.55063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45420	0.9
52.70380	0.9
55.05503	6.7
57.03415	4.2
57.07072	10.3
57.47911	0.8
60.80310	0.9
61.02909	4.3
67.05491	7.1
67.43998	0.9
69.03417	9.3
69.07053	8.1
71.04967	6.0
71.08619	9.7
71.81839	0.9
71.93914	1.0
72.08950	1.2
73.19547	0.9
76.28886	1.1
78.23762	1.0
79.05470	12.3
81.03384	4.3
81.07042	30.6
83.04969	2.2
83.08607	5.7
85.02895	24.6
85.06532	100.0
91.03976	1.1
91.05459	6.8
93.07026	40.1
95.04969	4.3
95.08581	13.6
97.02876	6.7
97.06513	35.4
97.10143	1.5
98.68037	1.0
98.97598	1.8
99.04443	1.7
99.08060	2.3
105.07029	11.8
107.08578	32.4
109.02905	1.9
109.06461	3.9
109.10133	6.3
111.08053	5.5
119.08566	7.6
121.02835	2.3
121.10120	61.6
123.08025	1.4
123.11690	2.7
125.09617	12.1
127.03848	1.6
131.08502	1.3
133.10091	2.4
135.08061	1.7
135.11658	7.7
137.13220	1.8
145.04939	2.5
147.11687	2.7
149.02327	99.0
149.13231	34.0
149.14349	1.8
150.02672	19.9
151.07545	1.5
151.11221	1.7
159.11668	10.9
165.12770	1.9
167.03386	4.9
167.07059	1.7
167.14261	7.5
168.99319	1.1
177.09138	9.2
177.12727	21.9
177.16318	11.6
180.08720	1.9
193.08611	2.7
195.10074	2.1
195.13773	49.3
195.17413	5.0
213.14851	27.8
213.18509	1.9
221.11671	1.1
226.87708	1.4
393.18649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.6
53.59452	0.5
55.66209	0.5
55.66550	0.5
57.07056	0.5
61.02892	0.7
69.03425	4.5
76.56231	0.6
77.44823	0.5
79.05457	2.8
80.21151	0.6
81.03386	1.1
83.72446	0.6
85.02425	0.7
85.02892	11.4
91.28577	0.7
92.09359	0.7
95.04939	1.1
97.02873	3.2
103.05437	5.6
105.07027	4.0
107.04942	49.1
107.08562	0.6
109.02849	0.8
110.37119	0.7
115.05435	2.5
117.06974	1.0
120.05718	1.3
123.04440	0.8
124.05184	1.4
127.03921	0.7
131.04898	2.6
135.08032	16.3
149.02319	5.8
150.02646	1.0
152.04665	0.8
154.06271	1.2
159.25749	0.7
163.07510	32.9
167.07005	100.0
177.71597	0.6
180.07773	4.0
181.08607	0.9
185.13930	0.6
186.30846	0.6
195.10130	28.3
213.11191	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14968	0.9
54.85685	0.7
55.01864	1.1
56.70513	0.8
57.03410	1.0
57.07066	3.5
58.99926	0.8
60.27254	0.9
61.02939	1.2
63.32627	0.8
69.03425	7.7
71.08636	1.2
79.05484	3.6
81.03436	1.4
85.02899	11.5
91.05486	1.5
91.32362	0.8
92.08607	1.2
95.04940	1.1
97.02855	4.0
103.05462	4.8
105.07021	3.8
107.04941	47.0
107.08570	1.1
109.06578	1.0
111.04443	1.4
115.05457	1.0
119.08671	1.1
120.05695	1.5
123.04447	1.8
124.05208	1.9
126.37784	0.9
129.05417	7.6
131.04910	0.9
135.08023	14.8
147.08023	0.9
149.02321	29.7
149.09618	1.3
150.02684	5.9
154.06200	1.4
157.04980	1.6
163.07512	29.6
167.07005	100.0
169.38432	1.1
180.07793	1.0
195.10153	30.0
213.11198	59.8
274.21463	0.9
332.90271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81313	0.9
55.05507	7.9
55.16960	0.9
57.07061	2.0
59.04983	1.5
67.05495	14.4
69.03425	9.9
69.07050	15.7
71.04964	2.2
71.08567	1.2
77.52245	0.8
81.07037	19.1
83.04971	7.6
83.08604	8.2
85.02879	7.7
85.06519	3.7
91.05425	1.8
93.07012	11.0
95.04926	1.6
95.08584	32.3
97.02854	1.5
97.06478	1.5
97.10182	1.8
99.08053	2.0
105.07026	6.8
106.63221	0.9
107.08588	21.3
109.02868	1.0
109.06509	10.2
109.10143	100.0
111.08020	2.2
113.09646	1.5
119.08558	28.7
121.10123	13.5
123.08040	12.7
123.11650	9.5
133.10114	22.0
135.11668	79.0
137.09589	19.8
139.11165	2.2
149.13242	6.4
151.11154	9.6
151.14833	11.0
153.12733	1.5
165.12781	1.0
165.16388	2.1
175.14801	31.9
192.14616	1.2
193.15852	31.8
209.15358	1.2
211.16911	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
56.05006	0.4
56.96550	2.1
57.07067	12.4
58.06593	3.8
59.83530	0.4
65.09225	0.4
67.05485	1.1
68.05000	1.0
69.07058	1.1
70.06580	32.0
71.08615	6.1
71.82014	0.5
72.08131	3.2
79.05458	2.2
81.07029	3.1
83.04961	0.7
83.08593	0.5
84.08120	2.7
85.10159	1.0
86.09702	5.9
88.07621	7.8
89.06045	0.5
91.05456	2.2
93.07046	5.0
95.04971	0.9
95.08601	1.6
97.06524	0.5
102.09166	3.1
105.06976	3.2
107.08583	3.2
109.06513	0.5
109.10165	0.8
114.09197	0.5
115.11061	0.4
119.08596	1.0
121.02839	0.8
121.06503	0.7
121.10165	1.0
123.08022	0.4
126.57442	0.4
129.07028	0.6
131.04907	2.1
131.08528	0.5
132.10176	11.2
133.10147	1.7
135.08052	0.5
135.11665	1.1
145.10121	2.3
146.11736	13.0
147.11664	0.6
149.02325	19.3
151.11096	0.5
157.10052	0.5
159.11705	0.8
161.05930	0.7
167.03419	0.6
173.09648	0.7
192.66579	0.5
240.26814	3.5
266.28497	2.1
284.29428	11.8
328.32034	65.4
350.12970	0.5
372.34637	0.6
377.04285	0.5
390.35699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62920	0.4
57.03427	0.5
57.06810	0.7
57.07066	10.8
58.07401	0.8
61.02911	5.6
63.78479	0.5
64.33974	0.5
65.03925	2.8
65.25993	0.4
69.03402	0.8
71.08616	10.5
72.08914	0.9
79.05476	4.0
81.03387	1.2
85.02497	0.5
85.02895	7.5
91.05433	1.0
93.03382	3.6
97.02856	2.8
103.68893	0.5
107.04942	12.9
110.03649	8.8
111.04427	4.1
117.03301	0.5
119.04832	0.5
121.02831	6.0
121.06480	5.4
122.03636	0.6
125.05975	33.6
127.03924	0.5
133.02823	5.7
135.04388	15.0
137.05949	1.1
141.05411	1.0
149.02321	100.0
149.05956	14.4
150.02637	18.3
151.03885	45.6
151.04962	2.4
153.05440	12.4
162.03159	0.7
163.03880	3.9
165.05453	20.5
166.04939	5.0
167.03366	6.0
167.05330	2.8
167.07016	10.7
168.03746	1.2
173.47049	0.5
176.03310	0.8
177.05429	12.0
180.04320	0.5
194.04381	2.0
195.04688	2.0
195.06456	12.7
200.98676	0.5
213.07544	49.7
287.08337	0.5
326.09390	0.5
410.30014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01866	0.8
57.03433	1.4
57.07073	6.3
58.34177	0.6
58.67373	0.6
61.02909	2.8
65.03931	3.8
67.05502	1.2
69.03423	5.6
71.08614	4.8
72.31609	0.6
73.02908	1.2
74.83535	0.6
76.55958	0.7
79.05487	4.8
81.03397	3.8
81.07034	7.7
81.80408	0.6
85.02893	19.0
91.05463	5.7
93.03394	2.5
93.07034	2.4
94.04169	2.4
95.04952	1.5
95.08628	0.7
97.02864	5.0
97.06496	0.7
99.04435	1.3
105.07040	2.4
107.04959	3.0
107.08582	1.4
109.02877	2.8
109.06509	17.5
109.07260	0.6
111.04418	6.3
117.84934	0.6
121.02858	7.8
121.06534	0.7
121.10155	0.8
125.06023	1.1
125.09583	0.7
127.03897	1.4
131.08586	0.6
137.05959	9.2
138.03119	1.1
139.03865	8.8
145.04913	2.5
148.01553	1.0
149.02330	60.9
149.09612	4.0
150.02675	10.3
153.05473	2.4
154.06235	68.0
166.02618	4.1
167.03413	2.8
169.08569	3.2
177.09102	2.6
180.08670	3.4
181.04933	100.0
184.03644	2.8
195.10214	1.4
213.07558	68.2
213.11224	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	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
57.03416	0.9
61.02898	3.3
65.27381	0.5
65.73988	0.5
66.93530	0.4
69.03413	5.4
71.04955	0.6
73.02882	0.6
79.05477	7.6
81.03397	2.3
85.02892	19.4
87.03927	0.5
91.03935	0.7
91.05461	6.7
92.64067	0.5
95.04933	1.2
97.02863	6.1
101.46850	0.5
103.05446	9.0
105.03379	0.7
105.07016	74.8
107.04921	3.1
109.06510	1.1
115.05436	14.6
118.04124	5.7
119.04922	8.6
121.06472	1.0
121.10158	0.5
123.08048	0.6
127.03883	3.1
131.04936	1.2
133.06471	63.6
133.17033	0.5
134.06813	0.6
137.05949	0.7
143.04941	0.9
143.05984	5.8
145.04945	2.7
147.04413	1.0
149.05945	3.5
151.07565	3.8
153.05457	3.1
161.05946	100.0
167.06984	3.0
168.07780	3.4
176.96471	0.5
179.07010	1.2
180.08653	1.0
187.77267	0.6
193.08569	49.1
196.07309	1.0
211.09615	12.0
228.12350	0.8
241.04802	0.5
249.63757	0.5
357.94263	0.6
385.21896	0.5
390.17896	1.8
391.79010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05509	11.7
56.96550	3.0
57.07063	1.2
59.04985	1.8
65.17329	0.8
65.38000	0.7
67.05481	5.0
69.03407	1.5
69.07058	20.5
71.04984	1.8
75.13599	0.7
79.05460	6.2
81.07044	15.9
83.08593	5.8
85.02899	3.3
85.06539	10.7
91.05456	12.3
93.07024	8.9
95.04955	4.7
95.08582	9.0
96.08897	1.2
97.02858	1.0
97.06519	1.9
97.10123	0.9
99.08114	2.8
100.11234	0.9
105.07018	22.0
107.08572	13.3
109.06478	1.6
109.10162	5.3
111.04448	1.3
111.08083	1.4
112.99166	1.0
113.06037	1.3
116.98676	1.5
117.07028	1.4
119.08559	69.4
121.10126	10.5
123.04350	1.3
123.08026	3.3
123.11681	12.9
131.08582	3.6
133.10106	65.5
135.11671	4.9
137.05962	1.2
137.09604	1.9
137.13266	2.0
138.13542	1.1
139.07446	1.2
143.59911	0.8
143.94107	0.9
145.10112	6.2
147.08099	1.0
147.11635	9.4
149.02295	7.8
149.13211	1.6
159.11612	1.0
160.08830	0.8
160.12445	1.6
163.02808	1.0
164.15143	0.8
173.13319	1.8
175.11403	3.2
175.14786	100.0
193.12215	4.7
193.15881	10.5
224.86279	1.0
227.16443	1.1
228.16676	3.0
228.43137	0.9
228.63034	0.8
251.81287	0.9
286.07922	1.3
300.10049	1.2
317.78012	0.8
391.93710	0.9
401.30246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69823	0.8
55.05512	11.5
56.83374	0.7
57.07065	1.4
59.04983	0.8
67.05489	2.0
69.07050	15.0
69.75265	0.8
71.04977	2.2
71.08600	1.0
74.20531	0.7
78.09676	0.8
79.05460	4.4
81.03392	0.9
81.07040	10.6
81.24409	0.7
83.04948	1.0
83.08596	2.1
85.02882	3.7
85.06522	1.3
91.05467	5.1
93.07020	5.3
95.04945	5.0
95.08583	6.5
95.88235	0.8
97.06503	2.0
99.04403	0.9
100.11241	1.8
103.05482	1.2
105.07018	15.6
107.08575	7.1
109.10142	5.0
111.08100	1.5
117.07042	1.2
119.08566	61.0
121.10101	8.3
123.08066	1.5
123.11689	16.2
131.08534	2.1
133.10107	56.8
135.11728	1.6
137.05931	1.1
137.09583	1.0
138.81685	0.9
145.10095	5.5
147.11676	7.7
149.02251	6.2
149.13144	0.8
151.11229	1.4
160.12381	1.5
161.05937	4.6
173.13260	1.8
175.07574	0.9
175.14793	100.0
182.18973	1.4
189.09026	3.5
189.80602	0.9
193.12239	2.0
193.15854	8.1
207.10107	1.6
210.15276	0.8
238.08534	4.1
254.08780	1.0
291.46463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
54.81654	0.4
55.01861	1.5
55.05499	0.5
57.03415	1.8
61.02920	3.9
63.30107	0.4
65.84024	0.4
67.05486	0.3
69.03415	8.6
71.04969	1.0
73.02905	1.6
79.05463	0.4
81.03400	3.8
81.07042	0.7
83.04953	0.5
85.02892	35.1
91.03952	0.8
91.05438	4.7
93.07045	0.4
95.04940	2.2
95.77954	0.4
97.02869	9.9
99.04421	2.0
103.05431	1.7
109.02861	2.3
109.06509	0.5
114.61722	0.4
118.04131	0.6
119.04917	6.6
119.08569	0.5
121.06445	0.4
123.04380	0.5
127.03870	4.4
133.10132	0.5
137.05960	0.8
145.04924	5.7
147.04395	11.2
151.03908	0.5
158.97412	0.4
163.05977	0.7
165.05429	2.0
167.06956	0.5
175.07547	0.6
191.10698	1.7
192.10324	0.4
193.04924	100.0
194.45837	0.4
208.84222	0.4
210.11240	0.7
211.06088	3.1
228.12263	1.9
229.06990	5.3
234.98970	2.2
355.10071	0.6
373.10852	0.6
390.18045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82069	0.5
53.03929	1.0
55.01871	4.8
55.05487	0.7
57.03415	1.2
61.02905	3.0
69.03403	4.0
70.40922	0.6
73.02898	1.2
79.05463	7.9
80.49564	0.6
81.03384	2.6
81.07034	0.9
83.04973	0.8
85.02892	12.8
91.05461	6.4
91.62885	0.6
93.07017	1.2
95.04939	1.5
95.08571	1.1
97.02856	5.2
98.97515	0.8
103.05453	8.1
105.03380	1.4
105.07014	77.9
107.04876	1.0
107.08563	3.8
109.02824	1.3
109.06472	0.9
115.05441	15.1
118.04141	6.0
119.04910	4.0
119.08552	0.6
121.06490	0.7
121.10119	1.2
127.03886	3.5
131.04897	4.0
133.06468	75.8
133.10083	1.3
135.08041	0.8
135.77112	0.7
137.05957	29.5
143.05017	1.2
143.05981	6.1
147.04361	7.8
147.08002	0.7
148.04776	0.7
149.13168	0.7
151.07520	1.5
152.08139	1.4
153.05386	0.8
161.05949	100.0
179.07019	2.6
180.08640	0.9
181.27039	0.7
191.14256	1.2
193.08574	46.8
207.03384	0.7
211.09613	17.9
219.01810	0.8
228.16553	1.4
246.99419	0.7
297.72534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24427	0.2
53.03938	0.6
55.01868	2.8
60.55163	0.2
63.04066	0.2
65.03930	0.2
69.03421	0.4
79.05474	7.3
83.04973	0.5
83.17710	0.3
85.02876	1.2
89.03902	0.6
90.04694	0.5
91.05457	3.6
93.07026	0.5
95.04942	2.4
95.08591	0.3
100.04819	0.3
103.05448	9.3
105.07017	86.6
106.07349	0.7
107.04935	1.7
107.08591	1.6
115.05440	16.9
115.06268	0.5
118.04130	7.3
121.10100	0.5
123.08016	0.5
131.04893	2.7
132.05675	0.5
133.06470	81.2
135.08031	1.1
137.05983	0.5
143.04903	1.6
143.06027	6.3
149.02313	0.3
149.05936	0.5
151.11136	0.4
161.05951	100.0
163.07523	1.4
167.07008	1.1
193.08572	41.1
195.10150	0.6
210.15759	0.5
212.86281	0.3
275.62842	0.3
344.13446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.5
55.05279	3.2
55.05512	63.9
57.07073	35.4
67.05503	25.8
69.03431	3.2
69.07057	60.8
79.05475	49.2
81.07056	76.7
81.85931	3.0
83.04967	6.4
83.08607	71.8
83.52519	3.0
83.98560	3.5
87.58018	3.3
91.05476	46.5
93.07032	100.0
95.04960	18.3
95.08584	55.0
95.69672	3.3
97.06542	7.2
97.10171	5.9
101.60891	3.5
105.03727	7.9
105.07017	59.2
107.04919	4.0
107.08585	81.4
109.06526	6.1
109.10157	34.2
111.08051	4.5
117.06998	6.2
119.08564	37.1
121.06502	18.9
121.10149	24.6
123.11691	21.0
129.06976	14.4
131.08580	20.6
133.06549	3.4
133.10114	55.6
135.08057	5.9
135.11682	43.2
137.13278	6.8
143.08548	41.6
145.10110	39.3
147.08046	26.9
147.11673	13.4
149.13280	20.2
151.07437	4.0
151.11203	4.7
157.10027	5.0
159.11703	14.1
161.09612	6.8
161.13242	22.5
163.14807	4.0
165.16013	3.6
171.11682	8.0
173.13208	6.2
175.14845	5.0
185.13293	13.4
187.14845	19.8
189.12735	15.8
201.16347	4.5
203.14349	5.4
219.17467	13.0
223.16937	14.0
231.13756	4.3
298.39075	3.9
301.21530	6.8
325.32901	8.6
371.29431	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01846	1.4
57.03424	2.5
61.02916	3.8
66.14674	0.3
69.03418	7.7
71.04957	1.3
73.02875	0.6
79.05473	0.4
81.03391	3.7
81.07030	0.6
85.02893	30.9
87.04430	0.7
91.03912	1.7
91.05455	4.2
93.07005	0.5
95.04935	1.4
97.02867	8.7
99.04442	2.4
103.05438	1.5
107.08620	0.4
109.02885	2.5
109.06509	0.5
118.04085	0.4
119.04916	7.2
120.07999	0.3
121.06510	0.4
127.03899	5.9
137.05923	0.7
145.04945	5.2
147.04391	12.8
150.09102	0.3
151.11137	0.3
163.03865	0.5
165.05417	1.7
177.05229	0.3
183.06572	0.5
192.10069	0.4
193.04929	100.0
209.15323	0.5
210.11308	1.3
211.05951	2.8
228.12318	1.8
229.07013	4.4
234.98944	1.9
303.05197	0.7
355.10236	0.5
373.11072	0.5
389.17679	1.2
390.17938	1.6
391.15610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01854	0.8
55.05504	6.6
57.07069	5.3
57.65884	0.7
61.92804	0.7
63.14387	0.6
64.33244	0.7
67.05488	6.6
67.27158	0.7
69.03434	1.0
69.07055	6.9
79.05477	28.8
81.07042	13.7
83.04974	1.7
83.08598	1.6
85.06555	0.8
91.05464	17.5
93.07027	100.0
95.04932	6.4
95.08591	16.0
97.06519	20.5
105.04516	1.0
105.07021	15.5
107.04968	1.5
107.08582	84.3
109.06489	5.7
109.10146	6.1
111.08076	3.8
117.07030	1.4
119.08562	8.8
121.06489	14.4
121.10133	15.1
123.08054	4.4
123.11668	2.8
130.42384	0.7
131.08542	6.3
133.10141	7.4
135.08014	6.1
135.11676	42.8
137.09593	1.4
139.07524	87.3
141.83725	0.8
142.07735	0.9
145.10146	5.0
147.11702	3.8
149.09604	1.8
149.13249	25.6
153.09081	18.4
157.10086	1.7
158.75534	0.7
159.08026	1.4
159.11714	7.7
163.07513	1.9
163.14832	5.9
173.13229	5.2
174.12895	1.0
175.11215	3.1
177.09050	0.8
177.12747	5.2
183.11719	1.5
191.14296	9.2
195.13760	6.5
196.63089	0.9
201.12790	3.4
201.16316	1.0
209.15349	17.3
219.13742	10.8
237.14790	17.2
237.50285	0.9
272.23703	1.3
321.09891	0.7
350.60590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
53.43787	0.6
54.81826	0.6
55.05497	3.9
56.22657	0.6
57.07061	3.4
57.17327	0.6
60.95409	0.7
64.11723	0.7
65.03925	0.8
66.36672	0.7
67.05494	8.1
68.97180	0.7
69.03392	1.2
69.07056	7.3
71.04974	1.0
79.05477	24.4
81.07039	13.6
83.04954	1.7
83.08581	1.4
85.06534	1.1
91.05436	15.0
93.07023	100.0
93.33599	0.7
95.04959	7.4
95.08585	18.5
97.06514	19.2
105.04484	0.8
105.07026	17.8
107.08579	85.9
109.06507	5.2
109.10145	6.8
111.08057	3.3
111.42889	0.7
117.07037	2.8
119.08589	7.7
121.06482	11.3
121.10129	12.7
123.08042	1.4
123.11674	2.9
129.06964	1.1
131.08530	7.1
133.10123	8.2
133.83885	0.8
135.08026	4.0
135.10651	1.4
135.11676	42.0
137.09598	1.3
139.07523	72.9
143.08572	1.4
145.10120	4.1
147.08060	0.8
147.11652	4.5
149.09599	3.4
149.13239	24.6
151.11171	1.0
153.09085	16.4
157.10110	3.1
159.08009	1.3
159.11679	8.0
161.13290	0.9
163.07536	1.8
163.14777	6.8
164.65581	0.9
167.05595	0.8
168.09280	0.9
173.13211	5.6
175.11182	1.4
177.09167	1.0
177.12714	4.7
183.11597	1.8
191.14279	9.3
195.13885	6.2
201.12694	3.1
205.18130	0.7
209.15300	11.6
219.13766	8.0
223.06369	3.1
225.04257	10.6
226.04263	0.7
227.02206	2.6
237.14816	17.8
283.02969	1.2
299.06091	3.5
301.87494	0.9
336.15067	0.7
358.88678	0.7
389.25748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03934	0.8
55.01873	1.9
55.05507	5.7
57.03432	1.9
59.04992	1.5
61.02926	4.2
61.89307	0.9
67.05495	7.8
68.35940	0.9
68.69730	0.8
69.03419	13.4
69.07059	6.9
71.04979	41.8
72.64438	0.8
78.29004	1.0
78.97442	0.9
79.05491	6.3
81.03419	7.0
81.07053	11.4
82.44122	0.9
83.04972	1.7
83.08598	2.3
85.02897	27.7
85.06521	9.5
87.90279	0.8
91.05457	5.5
93.07048	14.0
95.04944	10.5
95.08589	11.5
97.02880	8.4
97.06530	5.6
97.10195	1.3
99.04441	100.0
105.07010	13.4
107.08585	28.3
109.02879	1.4
109.06496	9.1
109.10149	9.9
109.37315	0.9
111.08080	3.8
113.09633	3.9
115.07560	1.1
117.06983	1.4
119.08573	6.1
121.06535	2.1
121.10124	16.7
123.08053	13.9
123.11733	10.1
125.09645	7.7
131.08578	5.5
133.10098	17.4
135.08055	4.1
139.11186	2.3
140.04675	2.3
143.08627	1.2
144.09364	1.0
145.04822	1.0
145.10139	5.2
147.11678	7.7
149.09616	1.9
149.13260	6.0
151.11162	11.2
153.09079	1.8
158.10960	1.1
163.11203	4.6
163.14783	1.9
165.12738	4.0
167.10629	3.9
167.14314	1.6
169.08571	1.2
169.12207	9.0
171.06531	1.8
173.13243	7.9
181.04916	25.7
183.13731	13.5
189.65489	0.9
191.10611	1.3
191.14316	7.0
209.15334	16.9
227.12769	4.0
227.16389	56.3
232.05458	1.0
251.76123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
50.64734	1.0
53.03933	1.1
55.05506	13.2
57.03428	11.1
57.05297	1.1
57.07061	4.7
59.04971	2.1
61.02910	1.2
64.51835	1.1
67.05489	9.4
69.03409	10.2
69.07063	16.4
71.04969	6.5
73.02871	1.2
79.05477	9.7
81.03392	2.8
81.07032	23.6
83.04961	5.8
83.08605	14.5
85.02888	24.9
85.06519	6.7
91.05458	11.9
93.07023	18.5
95.04948	56.4
95.08575	14.8
97.02870	5.6
97.06507	66.0
99.04471	9.4
99.08041	2.6
105.07009	38.4
107.08578	34.0
109.02901	1.6
109.06502	100.0
109.10162	15.7
111.08096	8.7
117.05257	1.1
117.06974	2.4
119.08553	28.1
121.10120	28.6
123.08049	14.5
123.11681	6.7
125.09583	5.2
130.47334	1.2
131.08539	10.4
133.10110	54.7
135.08041	12.0
135.11653	8.3
137.05962	1.8
139.11102	2.7
145.10100	7.3
147.11667	67.5
149.09589	1.7
149.13211	7.1
151.11171	5.4
153.09087	34.1
158.10864	4.6
163.14780	9.7
165.12727	6.3
171.10014	1.7
173.13200	21.2
191.14273	29.1
209.15343	98.3
227.16379	46.9
227.18011	1.5
326.52679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
54.81511	1.2
55.01890	1.2
55.05276	1.3
55.05500	14.3
56.75534	1.1
57.03413	1.3
57.07066	3.2
57.94853	1.3
67.05505	9.9
68.05820	1.5
69.03415	24.0
69.07056	11.2
71.04979	3.2
75.80265	1.1
79.05471	3.5
81.07040	10.4
83.04988	13.9
83.08607	8.7
85.02885	5.8
85.06534	2.7
91.05464	3.3
93.07021	11.4
95.04956	6.1
95.08586	26.5
96.08929	7.0
96.96930	1.8
97.02943	1.9
97.06532	2.7
97.10138	10.8
99.08079	12.2
105.07019	5.9
107.08573	28.8
109.06496	7.9
109.10172	7.1
111.08051	15.3
113.06004	7.2
119.08566	6.1
121.06544	2.4
121.10111	20.4
123.08031	7.6
123.11674	5.2
124.08352	1.5
125.06007	2.8
125.09603	92.2
131.08562	2.9
133.10114	7.0
135.08047	11.4
135.11691	3.6
137.09624	6.3
139.07523	7.6
139.11218	2.5
147.11670	3.4
149.09598	100.0
149.13269	7.9
150.09972	2.1
151.11172	26.8
153.09074	29.9
154.09880	3.4
163.14775	11.0
173.13203	9.5
186.34943	1.5
191.14288	25.8
207.13708	2.4
208.14131	2.0
209.15340	85.1
227.16362	13.0
234.34605	1.7
336.55927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03926	1.3
55.05510	8.2
57.03441	8.5
57.07061	4.7
59.04988	2.6
61.02907	2.3
67.05491	5.7
69.03454	8.9
69.07066	9.7
71.04976	15.5
73.02906	1.5
79.05492	9.3
81.03404	4.1
81.07044	32.3
83.04971	2.6
83.08612	8.4
85.02905	23.9
85.06544	8.8
91.05457	11.9
93.07031	19.7
95.04958	38.1
95.08595	19.2
97.02867	5.5
97.06518	29.3
99.04443	25.2
99.07484	1.1
99.08057	9.2
105.07023	39.9
107.08584	33.0
109.06512	74.3
109.10163	16.7
110.98763	1.1
111.08075	6.8
112.81267	0.9
113.09658	1.8
115.07566	4.5
117.07024	4.9
119.08564	21.1
121.09268	1.8
121.10133	42.1
123.08049	10.2
123.11705	5.4
125.09614	5.5
127.03858	1.2
127.07541	1.1
131.08556	25.7
133.10115	100.0
135.08078	11.3
135.11678	2.2
137.09669	1.8
137.13199	1.0
139.11244	3.0
143.08563	1.1
145.10115	10.5
147.11690	39.7
149.09570	1.4
149.13268	10.7
151.03841	1.8
151.11192	4.2
153.09105	19.5
158.10904	7.7
163.14745	8.0
165.12746	4.7
167.14276	1.5
167.66406	1.2
169.12199	1.6
171.10178	4.5
173.13226	42.2
183.13831	1.9
191.14296	43.7
209.15350	47.9
209.17355	1.7
227.16399	53.4
380.98798	1.1
395.20551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09716	0.7
51.55708	0.6
55.01857	6.0
55.05496	6.2
57.03417	1.2
59.72454	0.8
65.03928	6.6
67.05490	6.3
68.95545	0.9
69.03419	5.7
69.07038	3.4
71.04961	4.1
77.24806	0.7
79.05466	6.9
81.03416	1.2
81.07037	10.7
82.04185	1.0
82.53860	0.7
83.04955	4.3
83.08576	1.7
85.02887	4.9
85.06514	1.0
91.05458	13.4
93.07033	6.6
95.04945	13.0
95.08563	4.5
97.10147	0.9
99.04436	1.6
103.05431	7.4
105.07014	9.6
107.04926	5.1
107.08575	24.4
108.08923	2.0
109.06509	9.0
109.10133	8.8
110.03636	4.4
110.06866	2.2
111.04420	5.9
111.07996	1.3
115.05421	2.0
117.06981	4.8
118.07324	1.0
119.04845	1.1
119.08540	7.1
121.02857	1.7
121.06490	2.1
121.10112	11.9
122.07246	4.4
122.10429	1.1
123.04384	3.7
123.08133	3.0
125.05955	4.9
125.09613	1.2
129.06963	7.3
131.04921	12.7
131.08565	8.7
133.10103	100.0
134.10429	38.8
135.08020	13.8
135.11697	1.3
136.08405	4.8
137.05968	8.0
137.09593	78.5
138.09923	26.4
139.03911	1.6
141.06989	5.0
143.08507	1.7
145.06453	1.8
145.10069	1.7
147.11705	4.1
149.02293	1.1
149.13245	10.0
150.13605	1.7
151.07506	4.4
151.11192	3.4
153.05453	1.8
157.06432	6.3
158.07249	2.0
158.10756	1.3
159.08035	5.1
161.05913	1.1
163.07564	3.8
163.14728	2.0
167.07028	5.5
167.14305	3.5
169.06409	1.9
171.06552	1.2
173.13239	5.8
174.06737	15.0
174.13547	3.5
175.07510	13.3
177.05482	1.3
177.38438	1.0
181.04948	9.0
181.06355	1.6
183.06580	1.7
186.06747	2.0
187.07558	5.2
189.09073	17.9
191.14275	25.6
191.15904	1.4
192.14609	17.2
195.08118	1.3
195.10123	1.5
201.09076	8.4
207.06511	4.6
207.08234	1.2
209.06075	1.1
209.08023	2.2
209.15291	14.4
210.06810	1.3
210.15723	4.2
211.07460	1.3
212.08147	1.0
217.06537	1.6
217.08566	1.4
218.07240	2.0
219.08049	3.0
219.10088	31.9
221.06129	1.1
221.09515	1.3
223.07556	1.5
225.09090	1.0
226.93813	1.0
227.06949	1.0
227.61014	0.9
234.06686	4.0
235.07442	3.6
237.08960	1.5
238.09927	1.5
239.07025	2.0
239.10568	1.1
240.07768	4.4
247.07433	1.4
249.09035	5.6
249.38165	0.9
251.06897	1.3
253.08540	6.0
253.12231	1.1
261.09027	4.8
262.09769	1.2
263.06982	1.6
265.08560	1.5
266.09186	1.3
267.10187	1.3
269.08035	1.4
277.08444	5.2
279.09976	1.4
280.07111	1.3
281.08151	1.4
281.11566	2.2
283.09857	1.6
295.09613	1.4
299.12726	1.2
309.11133	4.6
313.10815	1.9
327.12231	8.8
339.12082	7.2
341.13809	1.7
359.14569	7.4
371.14896	8.0
389.15717	5.2
402.08221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05494	0.9
57.07055	0.2
61.33346	0.2
65.03932	0.3
67.05488	1.2
69.03407	0.2
69.07047	0.5
71.04986	0.4
79.05009	0.3
79.05476	12.3
81.07042	19.5
91.05453	1.7
92.08465	0.2
93.07024	2.3
95.04937	1.3
95.08594	1.1
97.06532	0.3
99.04399	0.2
103.05502	0.2
104.66594	0.2
105.07016	1.9
107.08578	2.7
109.06506	100.0
110.06842	0.3
114.95031	0.2
117.07018	0.3
119.08570	1.8
121.06476	0.4
121.10112	0.4
123.08024	0.8
123.11636	0.3
125.06027	0.2
127.07541	1.2
129.06969	0.2
130.10683	0.2
131.08545	1.1
133.10103	1.3
135.08061	0.3
135.11700	1.1
143.08591	0.3
145.06465	0.3
145.10103	0.9
147.08081	0.3
147.11699	0.9
149.09610	0.4
153.09100	0.2
156.09355	0.2
157.10132	0.4
159.11661	0.9
160.46458	0.2
161.09575	0.4
161.13208	0.3
163.07602	0.3
171.11671	0.4
173.13255	0.3
175.11176	0.4
177.09070	1.0
179.07031	1.3
187.11182	0.2
189.12672	0.4
199.11176	0.4
205.12355	0.2
217.15819	0.3
233.11649	1.6
263.12778	0.8
335.12939	0.3
389.23306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46234	0.4
53.03923	0.7
55.01867	5.6
55.05501	1.1
57.03424	1.9
61.02902	2.1
65.03925	3.9
66.08611	0.4
67.05480	2.9
69.03416	5.0
69.07047	2.5
71.04959	2.2
73.02903	34.2
78.13741	0.4
78.71642	0.5
79.05473	3.0
81.03384	2.3
81.07038	2.5
83.04945	0.6
83.08598	0.6
85.02897	14.7
85.06544	1.1
91.03934	0.5
91.05476	4.7
93.03388	1.9
93.07023	8.1
95.04950	23.6
95.08575	0.7
97.02869	3.6
97.06526	5.0
99.04423	3.9
105.04562	0.6
105.06999	2.7
107.04922	0.8
107.08587	7.5
109.02878	0.5
109.06532	3.5
109.10146	0.7
110.03635	2.4
111.04428	0.8
111.08033	0.7
112.50647	0.5
115.07554	4.0
119.04914	1.0
119.08547	2.4
121.06462	1.7
121.10122	14.8
122.94501	0.5
123.04413	9.4
125.02319	1.1
125.05968	1.0
125.09636	0.4
127.03867	0.8
131.08572	0.7
133.02887	0.4
133.10104	4.7
135.08087	0.7
138.03076	0.9
140.04666	49.6
142.02614	1.9
147.04369	1.7
147.11650	0.6
149.13391	0.5
151.11183	1.8
153.05492	3.5
153.09079	4.1
155.07011	49.5
163.14775	3.3
165.12495	0.6
166.06186	0.9
171.06493	5.4
173.08080	4.0
173.13228	1.7
179.06993	2.3
180.03697	0.6
181.04930	100.0
181.08293	3.6
191.14197	0.8
209.08075	16.6
209.15381	6.3
227.09119	61.9
227.12599	3.0
286.43356	0.6
291.10876	0.6
389.17694	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	388.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59279	1.6
53.03922	1.9
55.05510	17.3
57.07067	3.7
65.85342	1.6
67.05503	23.6
69.03403	2.2
69.06727	2.0
69.07058	43.8
75.30566	1.9
79.05476	22.2
81.07048	52.5
82.07342	2.4
83.04959	3.8
83.08602	6.8
91.05465	34.4
93.07028	71.4
94.07324	2.9
95.04933	12.7
95.08592	40.9
97.06519	12.9
105.07021	46.7
106.07328	2.9
107.08582	51.6
108.08907	2.4
109.06530	13.3
109.10155	28.7
117.07001	13.6
119.08567	41.1
121.10101	21.9
123.08054	3.7
123.11691	27.3
129.06950	4.0
130.07745	2.0
131.08543	15.9
133.10117	38.8
133.17052	1.8
134.10425	2.6
135.08022	13.2
135.11659	22.3
137.09595	12.9
141.07008	2.1
143.08553	7.5
145.10101	26.1
146.10442	4.3
147.11661	12.0
148.12073	1.9
149.09622	2.3
149.13245	18.2
150.09109	2.8
151.11180	4.6
157.10083	9.2
159.11696	14.0
160.87289	1.9
161.13243	8.7
163.11163	2.1
167.08539	2.2
171.11694	3.6
173.13251	3.8
175.14835	13.6
177.12677	19.9
177.16414	3.3
181.10121	2.8
187.14862	2.2
192.15173	2.5
193.15843	76.4
195.11678	2.0
201.16295	7.3
202.16750	2.2
203.14258	1.9
203.17932	2.4
209.13248	2.2
213.12993	2.0
217.15837	3.6
219.17476	13.6
222.14922	2.1
241.19603	2.3
251.17911	3.1
325.25220	10.0
335.27301	16.8
353.28342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33633	0.4
55.05488	0.7
60.42539	0.4
61.02891	0.4
67.05478	2.1
69.03412	4.7
69.07043	2.5
71.04947	0.7
71.73425	0.4
72.41765	0.4
79.05450	3.3
81.07031	6.8
83.04939	0.5
83.08619	1.1
85.02884	2.8
91.05466	4.0
92.08614	0.8
93.07018	3.6
95.04938	1.8
95.08563	2.0
97.02896	0.6
97.06470	0.6
99.04424	0.6
105.07004	6.0
105.36414	0.5
107.04932	1.2
107.08581	17.2
109.06518	6.4
109.10136	5.9
115.05441	0.8
117.06996	2.9
119.08565	3.1
121.10114	13.2
122.07256	2.5
123.08018	1.9
131.08557	3.1
133.10104	100.0
135.08040	14.5
135.11668	0.7
137.09592	58.9
143.08569	0.9
145.10095	0.8
147.11676	2.3
149.13235	11.8
151.11166	1.1
158.10832	1.8
163.14827	1.2
172.01538	0.5
173.13255	6.0
191.14268	27.8
201.31047	0.5
209.15314	13.4
242.79588	0.5
302.45377	0.5
306.59921	0.6
355.39328	0.5
371.95670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08030	1.1
53.07380	1.1
55.05502	7.7
57.07058	3.2
59.01171	1.5
59.05014	1.3
59.41892	1.3
67.05492	8.6
69.03414	8.1
69.06713	2.3
69.07058	37.7
69.07414	2.6
70.06574	2.0
71.04977	7.0
74.76988	1.3
79.05478	15.7
81.07032	11.6
83.04959	2.9
83.08619	8.0
85.02879	13.0
85.06519	8.6
91.05476	23.6
92.89318	1.4
93.07027	66.0
95.04954	2.5
95.08602	10.4
97.02867	2.2
97.06501	5.8
105.07014	37.0
107.08583	86.6
109.06524	8.0
109.10136	10.3
117.07002	3.0
119.06066	1.5
119.08579	27.2
121.10121	77.5
123.07995	3.4
123.11703	6.5
127.03886	1.5
129.07019	2.2
131.08557	33.1
133.10112	100.0
135.08040	9.6
135.09009	1.4
135.11679	14.1
137.09633	2.3
143.08549	6.5
145.04977	2.0
145.10072	10.5
147.11656	3.2
149.09634	2.9
149.13196	5.7
158.10892	9.8
163.14784	24.7
173.13231	37.1
180.08774	1.4
191.14294	63.9
200.47296	1.4
204.81892	1.5
215.09160	5.2
353.19562	2.3
353.27380	1.3
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
54.81772	0.8
55.01858	1.8
55.05503	1.4
57.03431	1.4
57.07062	1.7
61.02924	0.8
64.54009	0.8
67.05489	5.7
69.03419	7.8
69.07057	3.6
71.04974	3.2
79.05469	4.4
81.03385	1.4
81.07027	7.4
83.04971	1.8
83.08596	1.0
85.02898	12.1
85.06539	1.3
91.05475	7.6
93.07028	8.8
95.04948	3.4
95.08582	11.6
97.02853	3.2
97.06512	5.8
99.04449	1.0
99.08037	0.8
105.07011	17.2
106.07336	0.8
107.04981	1.0
107.08581	21.4
109.02859	0.7
109.06503	50.9
109.10149	14.4
111.08088	1.6
116.06187	1.0
117.06988	3.0
119.08559	22.5
121.06465	2.9
121.10123	10.3
123.08060	7.0
123.11700	1.6
125.76540	0.7
129.06969	1.3
131.08543	59.8
133.10101	16.0
135.08035	23.7
135.11682	3.4
137.06081	1.0
139.03882	3.3
143.08540	4.9
144.09337	1.4
145.10104	14.6
147.11676	6.7
149.09579	5.1
149.13229	5.3
153.09235	0.9
158.10899	8.7
161.09619	1.6
163.14832	5.4
171.11661	3.8
173.13229	100.0
174.13489	0.9
175.14832	5.3
176.11992	0.7
191.14282	78.6
209.15324	26.1
243.63443	0.8
335.18890	0.8
388.20004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
54.81544	0.7
55.01846	0.8
55.05505	7.4
57.07063	4.3
57.89321	0.8
59.04992	1.0
61.02913	1.1
65.03914	1.1
67.05492	4.7
69.03410	6.2
69.07051	37.3
70.06593	2.1
71.04978	8.1
73.41092	0.9
79.05476	14.7
81.03396	0.9
81.07034	11.5
82.07350	0.8
83.04969	4.2
83.08601	7.9
85.02901	11.2
85.06516	7.4
91.05461	19.8
93.07022	62.9
95.04950	4.8
95.08582	12.0
97.02877	3.4
97.06509	9.7
98.97565	1.3
99.04390	1.4
105.07014	34.3
107.08575	92.1
109.06502	8.3
109.10135	7.5
111.08070	1.3
117.07005	1.4
119.08558	25.9
121.06516	1.5
121.10117	77.2
123.08054	5.1
123.11672	4.6
125.05981	1.0
127.03884	1.6
127.75803	1.0
127.91516	1.0
129.06993	1.6
131.08543	29.5
133.10104	100.0
135.08034	11.9
135.11665	10.3
137.09590	1.9
139.03886	2.0
139.19420	0.9
143.08549	5.3
145.04958	1.0
145.10072	8.7
147.11696	4.5
149.09581	3.9
149.13263	5.7
158.10881	7.7
163.14790	23.0
173.13226	43.3
191.14273	66.1
209.15392	3.6
215.09131	4.0
233.10181	1.8
255.78973	0.9
335.18381	1.0
342.89676	0.9
347.83328	0.9
353.19687	1.3
378.81076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18106	0.1
55.83098	0.1
62.21994	0.1
69.03410	0.2
69.26835	0.2
70.06572	0.2
73.02892	0.1
79.05458	0.7
83.64031	0.1
84.88595	0.1
85.02902	0.5
91.05467	0.6
93.07005	1.3
95.04938	0.5
99.04467	0.1
103.05450	5.7
107.04952	2.0
118.06533	0.3
120.08082	100.0
121.03162	0.1
121.08421	0.3
131.04907	2.6
149.05997	1.6
163.80408	0.1
166.08604	25.0
166.50232	0.1
234.07413	0.1
292.56796	0.1
401.65402	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05495	3.2
55.26162	0.6
57.07049	3.5
61.02913	0.6
67.05482	4.2
69.03412	3.6
69.07057	5.2
79.05466	6.7
81.07038	5.1
83.08587	1.2
85.02891	7.2
91.05467	19.2
93.07024	8.4
95.04919	2.5
95.08578	4.5
95.38479	0.7
97.02856	1.0
97.06490	1.3
98.97542	0.7
103.05441	0.8
103.68497	0.6
105.07014	26.8
107.08572	20.5
109.06496	3.4
109.10135	3.5
115.05436	1.5
116.06179	1.1
117.06999	9.5
119.08559	33.9
121.09254	1.1
121.10123	21.1
123.08023	3.3
123.11683	0.8
127.03860	0.9
128.06180	1.3
129.06989	12.5
130.07751	5.0
131.08553	36.3
132.09351	0.9
133.10104	14.2
135.08015	4.6
135.11620	1.6
143.08546	22.4
144.09308	6.9
145.10110	29.2
147.11661	16.6
149.09538	2.5
149.13251	13.6
156.09352	1.4
157.10138	1.1
158.10878	22.8
160.63338	0.8
171.11613	0.9
173.13228	36.2
175.14810	9.9
191.14278	100.0
234.15205	0.7
281.59201	0.7
354.08777	0.7
403.39734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01881	2.6
55.05499	24.1
57.07072	6.3
63.86787	2.7
64.33365	2.6
66.00837	4.2
67.05500	32.5
68.72886	2.6
69.07053	25.4
71.04971	7.1
74.67690	2.4
79.05481	39.7
81.07040	59.7
83.04980	5.1
91.05474	37.3
93.07024	85.3
95.04923	16.1
95.08564	30.0
97.06533	5.5
99.04458	15.3
105.07018	62.1
107.04793	3.5
107.08585	66.8
109.06512	13.6
109.10143	39.3
117.07001	14.1
118.95618	2.9
119.08565	52.1
121.06488	11.8
121.10117	32.5
123.08073	4.9
123.11680	22.3
129.06984	4.8
131.08568	21.6
133.10120	39.2
135.08044	15.0
135.11693	25.7
137.09608	4.3
138.17365	2.7
143.08546	5.3
145.10106	35.7
147.11659	35.4
149.09633	7.0
149.13260	10.6
151.07547	3.3
151.11171	5.7
155.64006	2.7
157.10117	12.2
159.07979	2.7
159.11636	20.3
161.13258	4.4
164.24702	2.7
169.10071	4.2
173.13197	3.4
175.11218	4.2
175.14806	11.3
177.12779	4.5
179.10669	3.7
181.10001	2.7
185.13135	4.2
187.14784	3.2
189.16365	6.5
199.14951	2.8
201.16368	12.5
203.17921	5.6
215.14247	6.3
216.14873	11.2
217.15627	30.7
219.17441	12.2
223.14774	2.9
235.16803	16.2
259.16641	100.0
260.17389	3.6
311.08133	3.0
334.50153	3.3
341.24451	17.3
351.26810	3.3
369.27759	14.0
387.28928	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	387.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42086	1.2
53.03932	2.3
55.05504	10.5
57.07072	3.0
58.70909	1.1
59.98706	1.3
65.09061	1.2
67.05495	12.5
69.03392	1.9
69.07053	18.8
71.04995	1.5
73.20490	1.1
79.05474	29.0
81.07033	28.2
83.04959	1.9
83.08609	3.2
85.02899	2.2
91.05460	28.5
93.07024	100.0
95.04948	8.5
95.08586	27.3
97.06499	11.9
105.07013	49.0
105.07525	1.4
107.04961	5.7
107.08581	59.8
109.06496	8.8
109.10160	16.6
113.41329	1.4
117.07000	6.3
119.08555	44.3
121.06467	10.6
121.10103	17.9
123.08049	6.5
123.11682	9.4
131.04930	1.3
131.08543	8.4
133.10098	43.8
135.08052	3.4
135.11670	54.7
137.05946	2.1
137.09599	7.8
139.07520	43.9
143.08501	3.0
145.10072	10.3
147.08028	1.4
147.11671	23.6
149.09595	3.4
149.13275	8.9
151.07576	1.9
151.11128	5.9
157.10129	2.8
159.11671	10.2
161.09572	7.1
161.13216	3.4
173.13211	13.3
175.13356	2.2
175.14798	41.6
177.12726	15.6
179.10672	14.2
189.16315	22.8
193.15862	26.2
195.13800	5.4
199.14838	2.0
201.16336	2.3
204.29398	1.5
207.17407	3.0
217.15857	12.6
219.17473	2.1
232.21915	1.4
235.13120	20.5
235.16888	35.2
253.17986	5.6
257.32599	1.4
277.17767	1.8
326.88470	1.7
387.24930	7.7
387.29276	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	387.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74249	0.8
53.03933	0.9
53.15171	0.8
53.25109	0.9
55.05498	6.6
57.07061	4.2
63.17344	1.0
65.54941	1.0
66.87979	1.0
67.05495	10.4
69.03425	1.2
69.07049	14.9
71.04967	2.4
79.05052	1.6
79.05476	28.1
81.07032	23.4
83.04958	4.5
83.08614	2.1
85.02904	5.7
85.06557	1.2
91.05466	24.8
93.07025	100.0
95.04940	6.7
95.08583	24.7
97.06519	14.2
97.10133	1.1
100.31652	1.2
105.06390	1.5
105.07018	39.4
107.04941	1.8
107.07865	2.5
107.08575	61.3
109.06497	6.1
109.10140	13.8
110.12763	1.0
111.08066	1.6
117.07007	2.6
119.08555	34.8
121.06490	8.6
121.10129	15.0
123.08076	4.3
123.11676	10.7
127.73510	1.2
131.08553	6.0
133.10117	38.3
135.08018	4.3
135.11684	56.5
137.09595	4.9
139.07516	39.5
142.07718	1.6
143.08513	1.2
145.10104	7.7
147.11674	18.9
149.09624	2.2
149.13222	6.8
151.11157	4.7
151.14792	1.3
157.10106	2.6
159.11642	9.3
161.09599	4.5
161.13216	2.6
165.09071	1.6
171.11714	1.3
173.13235	9.4
175.14790	37.4
177.12726	15.0
179.10657	9.4
189.16364	24.6
193.15860	28.8
195.13812	6.3
199.14870	1.4
207.17424	5.2
217.15843	10.7
225.49840	1.3
230.87019	1.1
235.16881	36.6
253.17918	7.4
339.91318	1.2
387.24783	5.5
387.29248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.0
57.07072	4.9
62.50811	2.9
67.05500	31.3
69.07053	23.1
71.04954	5.5
74.18464	3.1
79.05470	25.2
79.05872	3.6
79.28483	3.2
79.41038	3.2
81.07042	66.2
83.04966	4.3
83.08621	7.8
85.06565	4.2
91.05472	33.3
92.09241	4.5
93.07019	87.8
95.04926	14.6
95.08590	43.2
97.06519	5.2
97.10139	4.5
105.07015	65.7
107.04943	5.0
107.08586	61.1
109.06509	14.9
109.10129	39.7
111.08081	4.7
114.96500	3.6
117.07005	13.4
119.08572	47.3
121.06487	6.6
121.10129	29.3
123.08044	4.4
123.11671	21.6
129.06984	4.3
131.04849	4.2
131.08571	26.1
133.10110	49.3
135.08054	7.8
135.11681	36.8
137.05925	4.6
143.08542	15.3
145.10107	35.5
147.11650	27.2
149.09625	7.0
149.13239	7.6
151.07315	3.9
151.11179	7.9
155.08578	4.5
156.09436	4.5
157.10080	5.0
158.07213	4.9
159.11659	21.0
161.09459	4.3
161.13243	8.4
167.07045	6.4
171.11681	4.6
173.09630	4.7
173.13171	4.6
175.11235	5.1
175.14740	7.7
187.14763	4.3
189.16406	5.8
189.24812	3.5
193.15985	3.9
201.09073	6.1
201.16382	14.9
205.15808	4.0
213.16252	3.9
215.14122	3.8
216.14786	5.3
217.15616	28.2
219.17424	8.0
233.15343	5.2
235.16913	6.9
253.36685	3.2
259.16663	100.0
260.17221	3.9
265.73547	3.3
267.73132	3.4
341.24271	6.8
351.26770	5.9
369.27850	7.1
387.24893	17.4
387.29443	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81978	0.5
55.05495	2.9
56.84110	0.5
57.03408	0.5
57.07063	1.0
59.04981	0.5
64.33211	0.6
67.05489	2.9
69.07056	4.4
71.04949	0.7
79.05474	6.9
79.24170	0.6
81.07037	8.3
83.08594	0.9
84.14009	0.6
87.04452	0.9
91.05476	6.7
93.07020	16.1
95.04960	1.3
95.08582	6.2
97.06460	0.7
99.66823	0.6
105.06998	10.5
107.04935	0.6
107.08585	17.3
109.06462	1.9
109.10144	3.9
117.07004	1.0
119.08568	8.9
121.06486	1.1
121.10117	4.4
123.08060	0.7
123.11697	2.7
129.07005	0.9
131.08556	3.7
133.10098	6.7
135.11670	11.9
143.08575	2.3
145.10075	3.4
147.08084	1.2
147.11646	5.8
149.09589	2.5
149.13228	0.8
151.11186	0.8
157.10103	2.6
159.11632	3.8
161.09560	3.3
163.11110	0.6
167.06775	0.7
173.13246	0.7
175.11295	1.7
175.14795	1.4
177.12697	0.8
187.14864	0.6
189.16389	0.9
199.14851	1.0
207.17416	0.8
217.15906	2.4
219.17477	0.7
235.13138	6.8
235.16873	3.1
244.84837	0.6
327.19199	0.7
351.26791	0.7
369.23856	1.3
387.24988	100.0
388.25336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13269	1.1
51.67873	1.4
55.05486	8.5
57.15198	1.0
57.39869	1.0
58.87250	1.4
59.04964	1.3
67.05493	13.3
69.03412	1.5
69.07065	11.2
71.04951	1.8
71.16495	1.4
74.44825	1.3
77.46952	1.1
79.05476	16.1
81.07039	26.6
83.08587	3.2
91.05453	17.1
93.07015	38.9
95.04939	8.3
95.08591	19.0
97.06510	3.2
103.05360	1.5
105.07012	32.5
107.04924	2.4
107.08570	32.8
109.06482	5.5
109.10133	10.8
117.06992	6.6
119.08555	18.7
121.06470	2.3
121.10118	15.2
123.08031	2.8
123.11654	6.0
129.06990	4.7
131.04903	2.6
131.08527	10.1
133.10114	19.6
135.08025	5.0
135.11647	21.3
137.09561	2.2
137.13187	1.4
139.07487	2.3
142.07707	1.3
143.08562	2.8
145.10120	13.4
147.11671	9.6
149.09599	2.1
149.13286	4.9
151.11191	2.5
157.10103	4.9
159.11658	8.4
161.09572	2.2
161.13235	2.8
163.11140	2.4
171.11581	1.7
173.13239	5.0
175.11237	1.6
175.14781	8.0
177.12682	1.5
179.10579	2.6
189.16386	5.6
193.15833	5.2
199.14821	1.9
201.16301	5.4
203.17883	1.4
217.15828	2.5
219.17480	2.1
228.59123	1.5
235.13000	100.0
235.16898	7.9
241.19675	1.6
253.45827	1.3
311.49438	1.6
327.22855	5.9
341.24777	1.4
351.26733	1.4
369.27896	2.4
387.24939	11.2
387.69089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
53.03939	1.8
54.81575	0.7
55.01855	0.8
55.05503	4.1
57.03418	1.9
57.07064	1.4
58.88216	0.8
59.45765	0.7
61.02917	2.0
67.05482	6.4
69.03422	10.7
69.07043	2.2
70.06579	18.7
71.04974	3.9
71.06902	4.0
73.02890	1.2
79.05463	2.2
81.03410	4.8
81.07034	19.4
83.04979	1.7
85.02890	100.0
90.08566	0.8
91.05433	6.2
93.07024	6.4
95.04939	3.7
95.08581	7.8
97.02876	4.5
99.04450	4.5
105.07017	14.8
107.08573	9.5
109.02852	1.5
109.06522	4.8
109.10136	14.9
117.07018	1.4
119.08557	18.7
121.06467	4.8
121.10128	16.0
123.04459	1.4
123.08039	6.5
123.11684	74.3
125.05965	11.7
127.03897	4.2
129.06984	1.0
131.08530	5.5
133.06508	1.1
133.10085	1.7
135.08037	1.2
137.09586	1.1
143.08556	1.2
145.04950	0.9
145.10141	7.0
147.04372	1.8
147.07994	6.3
147.11671	22.5
148.04770	1.1
149.05988	1.0
149.09627	9.5
151.07532	5.7
156.09335	6.9
159.07980	1.1
159.11664	4.5
160.08878	1.2
161.13269	4.2
163.11125	1.4
167.06984	1.4
167.10687	3.7
171.11633	1.5
174.10336	1.8
177.05446	10.1
178.05777	8.3
189.12717	18.1
191.10619	1.2
192.52817	0.9
207.13770	55.2
225.10966	28.2
225.14772	25.4
330.10330	1.1
333.16870	1.2
351.18103	1.3
387.16141	25.7
387.20227	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	2.4
55.01869	1.8
55.05503	8.2
56.96562	2.8
57.03431	5.7
59.04999	1.4
61.02917	6.5
65.49530	1.1
67.05494	7.0
69.03420	22.1
69.07050	12.0
71.04974	12.2
73.02886	1.5
74.91341	1.3
78.10632	1.4
79.05479	12.5
81.03410	6.3
81.07041	11.2
83.04988	5.9
85.02898	33.1
85.06537	2.8
87.04468	6.5
91.03889	1.5
91.05471	21.7
92.09328	2.6
93.07028	25.7
93.73264	1.2
95.04961	13.6
95.08585	47.4
97.02869	9.6
97.06506	13.8
98.97566	1.4
99.04454	2.1
103.05511	1.6
105.07021	39.5
107.04945	3.2
107.08583	37.9
109.02843	2.1
109.05827	1.9
109.06503	56.1
109.10156	6.1
117.07034	9.4
119.08573	45.2
119.09393	2.0
121.06490	5.8
121.10121	23.0
122.08939	1.3
123.08046	16.6
125.05999	2.2
127.03866	2.1
127.63857	1.3
128.06195	2.4
129.07004	6.3
130.07782	2.8
131.08551	23.3
133.06456	6.1
133.10117	15.8
134.42081	1.8
135.08034	21.8
135.11674	20.8
137.05984	11.3
137.09604	22.1
137.13216	1.6
139.07535	8.0
139.11121	9.7
143.08556	14.3
144.09395	2.1
145.04990	2.0
145.10107	18.2
147.08032	15.3
147.11674	23.9
149.09605	33.3
151.07538	7.3
151.11145	2.3
156.09302	18.5
159.07918	1.6
159.11685	24.3
160.08928	1.8
161.09641	9.5
161.13245	25.1
163.11153	9.7
165.09091	11.3
165.12759	4.9
167.07019	2.2
167.10681	2.8
171.11662	22.4
174.10396	2.2
176.11900	1.5
177.12753	14.3
179.14354	2.6
181.12238	5.9
189.12717	49.1
195.10143	3.0
207.13785	100.0
225.14838	30.6
232.14197	1.5
262.22461	1.4
400.55399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01857	1.0
55.05498	4.6
57.03416	3.0
57.07062	1.3
59.04992	9.5
61.02905	3.1
67.05479	5.8
69.03415	13.3
69.07047	7.4
71.04967	1.4
79.05472	6.6
81.03400	2.6
81.07032	14.8
83.04935	6.9
83.08602	3.0
85.02891	24.1
85.06533	1.0
87.04449	6.4
91.05460	7.9
92.09328	1.1
92.64173	0.9
93.07018	36.6
95.04947	6.4
95.08580	14.3
97.02851	4.6
97.06484	4.3
97.10123	0.8
99.04418	0.9
101.05996	3.8
103.05416	1.1
105.07011	26.2
107.08569	37.8
107.09296	1.3
109.06497	7.5
109.07150	0.9
109.10128	5.5
111.08052	3.9
114.37115	0.7
117.06936	2.5
119.08549	18.8
121.06499	1.3
121.10115	7.3
123.08022	11.8
123.11665	12.6
125.05978	0.8
127.03872	1.3
131.08540	3.1
133.06473	3.6
133.10088	10.1
137.05939	3.4
137.09572	1.3
139.07587	0.8
139.11111	2.9
141.09058	3.5
143.08513	2.6
145.04951	1.0
145.10120	3.1
147.08038	4.7
147.11667	10.7
149.09575	4.4
151.07483	3.3
151.11154	100.0
156.09338	2.9
159.11655	3.6
161.09583	2.9
161.13220	12.7
163.11201	1.1
165.12727	1.6
171.11635	4.8
177.12706	3.6
179.14252	2.9
181.12125	0.8
189.12685	14.3
207.13756	70.9
225.14803	47.5
259.58383	0.7
379.26694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.27230	0.3
55.05513	2.8
55.05726	0.3
57.03437	0.4
57.07064	4.2
59.04992	0.5
65.03893	0.5
66.42578	0.4
66.52379	0.3
66.85767	0.4
67.05143	0.7
67.05495	20.7
69.03411	2.5
69.07043	0.8
71.04973	0.9
79.05477	2.5
80.49103	0.3
81.07029	3.8
83.04955	0.9
85.02896	1.5
85.06539	9.3
91.05459	2.9
93.07027	7.9
95.04945	2.9
95.08588	100.0
105.07016	4.8
105.19118	0.4
107.08581	8.0
109.06509	2.1
109.10144	2.8
111.08071	0.4
113.05978	6.6
119.08560	14.3
121.06496	0.8
121.10133	6.7
123.08054	29.4
123.11669	2.4
131.08551	0.9
133.10132	2.1
135.08032	0.6
135.11684	11.0
137.09615	1.9
139.07547	0.5
141.09079	0.6
145.10112	0.6
147.08055	0.6
147.11699	3.8
148.87933	0.4
149.09605	19.2
151.07510	1.5
151.14845	2.7
156.09241	0.5
161.13235	6.9
163.11180	4.4
165.09050	0.6
165.12712	5.5
171.11688	0.5
174.10396	0.6
179.14288	2.1
185.90129	0.4
189.12718	6.0
207.13783	29.6
225.14842	0.5
332.08087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01879	2.2
55.05500	4.1
56.96563	1.5
61.12224	0.6
64.89706	0.7
65.03907	1.3
67.05499	6.7
68.99792	0.9
69.03427	1.3
69.07053	8.4
71.04978	1.3
78.04681	1.6
79.05476	30.6
81.03387	1.2
81.06658	0.8
81.07049	13.6
83.04957	3.5
83.08581	1.1
85.06519	0.9
90.63512	0.8
91.05466	29.5
92.09336	0.9
93.03390	1.7
93.07024	26.1
94.07368	0.8
94.40460	0.8
95.04952	13.3
95.08590	6.4
97.06508	7.5
99.04418	3.6
103.05450	11.8
105.03374	1.5
105.04448	1.5
105.07014	12.5
106.04118	1.6
107.04940	43.0
107.08562	9.3
109.06491	4.3
109.10139	4.4
110.03636	0.7
111.04440	6.2
111.08035	1.5
115.05404	3.8
117.06992	7.8
119.04910	6.0
119.08556	8.1
120.05696	3.9
121.06484	23.9
121.10136	6.0
122.03609	0.9
123.04404	16.4
123.08063	1.0
123.11690	1.1
124.05220	7.9
125.05995	5.7
128.06218	4.1
129.06975	4.5
130.07761	9.9
131.04900	5.6
131.08545	4.6
132.05670	1.1
133.02872	1.1
133.06458	1.3
133.10078	6.1
135.04398	3.3
135.08073	3.0
135.11700	1.6
136.05159	1.2
137.05975	4.8
138.06740	1.0
139.03885	94.0
139.07452	1.5
141.07011	1.5
142.07735	3.2
143.08554	20.3
144.05705	1.0
145.06464	5.6
145.10109	36.7
145.11224	1.4
147.04401	4.9
147.08034	1.4
147.11685	2.9
148.05157	4.4
149.05968	6.8
149.09587	1.2
149.13321	0.9
151.03903	6.2
151.11209	2.8
152.04654	4.7
153.05460	0.8
153.06963	3.5
155.08508	9.7
157.06531	0.8
157.10065	1.2
158.07249	37.4
158.08568	1.4
159.04405	1.2
159.08005	1.5
159.11725	1.6
160.05150	3.4
161.05968	3.6
161.09615	1.1
163.03865	1.8
163.07475	0.9
163.11081	1.2
164.04599	1.0
166.06226	15.2
167.06998	69.0
171.07991	3.7
172.08809	1.7
173.09584	52.5
175.07448	1.2
175.11105	1.0
181.08560	100.0
183.09172	1.3
186.06747	6.9
189.05623	1.0
189.09055	1.6
195.10184	5.0
201.09081	67.3
202.09790	1.2
218.09375	1.7
219.10077	1.0
231.10210	1.4
233.11670	32.8
243.10176	1.5
285.11313	1.0
327.08643	3.1
369.13174	9.4
387.17792	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	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55181	0.7
53.03946	1.9
54.75351	0.7
55.01851	0.8
55.05508	1.4
56.96554	0.8
67.05503	2.0
69.07065	1.6
74.61509	0.8
78.04704	1.6
79.05042	1.8
79.05477	26.0
81.07031	7.5
91.05465	27.4
93.07030	25.1
95.04960	12.9
95.08597	4.5
97.06519	1.5
103.05465	10.0
105.04492	1.3
105.07015	15.0
106.04163	1.7
107.04946	45.4
107.08588	6.0
109.06490	1.8
109.10177	1.8
111.08070	0.9
115.05461	4.1
117.07011	7.9
119.04935	5.1
119.08560	2.0
120.05695	3.8
121.06483	25.2
122.03608	1.5
123.04417	8.2
123.08111	1.3
123.11691	1.3
124.05189	10.9
125.05997	7.1
127.07540	1.0
128.06221	6.7
129.06984	3.9
130.07777	15.0
131.04858	1.3
133.10086	1.4
134.10524	1.1
135.08051	4.7
137.06013	4.4
138.06775	2.0
139.03938	1.3
139.07561	1.8
142.07814	1.4
143.08545	34.6
144.05692	1.4
145.06500	4.3
145.10109	63.0
147.04401	2.0
148.05215	3.8
149.05981	5.6
149.09616	1.1
151.03908	5.4
152.04712	4.4
153.07014	1.9
155.08530	16.9
157.06531	1.3
157.10155	1.8
158.07251	68.1
159.08025	1.7
163.07520	3.6
166.06239	17.9
167.07013	94.2
171.08041	4.5
172.08832	2.2
173.09592	94.6
175.07545	2.0
180.07864	1.2
181.08571	100.0
183.09216	3.3
186.06761	12.3
189.09126	2.1
195.10159	12.3
201.09091	92.8
203.07109	1.3
218.09377	6.2
233.11693	49.9
387.17841	8.9
413.01089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01867	1.0
55.05499	1.4
56.96539	1.2
65.03921	1.0
67.05492	1.6
69.07038	1.7
69.27066	0.8
78.04687	1.1
79.05474	15.6
81.07053	6.3
91.05462	27.7
93.07029	22.4
95.04945	12.2
95.08572	3.5
97.06493	0.9
98.59476	0.9
100.90377	0.8
103.05453	15.8
105.04498	1.3
105.07005	13.2
106.04121	1.2
107.04937	34.8
107.08588	4.4
109.06492	3.6
109.10129	1.0
115.05370	3.1
117.07007	6.7
119.04964	2.0
119.08578	1.5
120.05753	3.1
121.06485	26.4
121.10147	1.5
123.04366	7.5
123.08025	0.8
124.05180	8.7
125.05986	2.1
126.76768	0.8
128.06227	5.8
129.07001	4.5
130.07782	15.9
131.04947	1.6
131.06003	1.0
131.08575	1.7
133.10083	1.1
134.03596	1.5
135.08044	3.2
137.05975	3.7
138.06714	1.3
141.06973	2.1
141.67795	0.9
143.08545	25.9
144.05589	0.9
145.06465	1.9
145.10112	49.3
147.04362	1.5
147.11681	1.4
148.05151	0.9
149.05937	7.1
151.03931	5.5
152.04662	4.4
153.06987	1.5
155.08553	10.9
157.06505	1.6
158.07245	57.6
158.08566	2.0
159.07988	1.0
159.11633	1.2
166.06227	15.5
167.07010	100.0
171.08002	3.9
172.08809	1.6
173.09596	75.1
181.08572	95.3
183.09177	5.4
186.06758	7.7
189.09123	1.6
195.10149	9.7
195.11671	1.2
201.09093	73.3
218.09386	2.1
233.11707	33.8
233.14050	1.2
292.67075	1.0
297.57031	1.0
316.09494	1.4
387.17831	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	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
54.81583	0.5
55.01866	7.4
57.03430	17.5
59.04981	2.7
60.05632	0.4
61.02917	10.2
63.57755	0.4
68.56579	0.5
69.03413	22.7
71.01324	2.0
71.04968	2.5
73.02897	16.6
75.98072	0.5
81.03400	5.6
85.02890	100.0
86.72360	0.5
87.04450	3.3
91.03933	5.0
92.08695	0.6
97.02869	27.6
99.04437	3.4
100.87866	0.5
103.03905	1.1
109.02873	7.8
115.03910	8.3
127.03892	21.6
133.04964	8.0
145.04938	27.7
145.06082	0.9
150.07559	1.0
163.05991	16.3
236.98662	0.5
237.13283	5.6
259.07916	0.7
289.95468	0.5
309.89316	0.5
390.23004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.6
57.03432	17.6
58.02947	0.9
59.04979	1.7
61.02917	12.8
69.03069	1.7
69.03416	34.2
69.03761	1.8
70.08971	0.7
71.01345	4.8
71.04984	1.6
73.02904	25.3
81.03396	4.9
85.02892	100.0
85.94310	0.8
87.04451	11.4
91.03931	1.9
97.02872	33.4
97.34876	0.9
99.04451	3.7
103.03944	1.1
109.02866	7.3
115.03911	15.5
127.03879	20.3
132.06578	1.4
133.04941	16.2
145.04932	29.6
148.93655	0.9
163.05962	12.4
237.13377	2.2
241.06921	1.7
259.08279	1.9
277.47800	0.9
295.10327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1282
Annotation	Axitinib
Peak:m/z	Relative Intensity
51.05658	0.2
51.39248	0.2
53.03931	0.2
55.01846	0.3
57.03413	0.3
69.03416	1.2
70.06577	0.3
70.51666	0.2
71.04973	0.4
72.08076	0.2
73.02904	0.3
73.64987	0.3
78.04677	1.7
79.05476	1.7
81.07017	1.0
81.87553	0.2
83.04958	0.3
85.02878	2.6
86.09689	0.2
91.05433	1.7
93.07015	1.7
95.01302	2.2
95.04927	1.3
97.02850	0.9
98.66446	0.2
98.97554	0.5
103.05446	0.4
105.07030	2.1
106.04155	1.2
107.04929	2.5
107.08562	0.4
109.06495	0.3
109.10130	0.4
115.03896	0.3
116.98604	0.2
119.04945	0.3
119.08576	1.5
121.06480	1.7
121.10084	0.4
122.03570	0.3
123.04400	6.9
124.05198	2.9
124.59339	0.3
129.01839	0.2
131.08560	0.3
133.06462	1.3
137.05946	0.4
145.04947	0.2
145.10083	0.2
147.04353	0.3
147.11699	0.3
148.03923	0.3
149.05930	2.0
149.09695	0.2
151.03868	1.7
152.04665	2.0
161.05946	1.0
166.06204	0.5
167.06995	100.0
168.07358	0.3
181.08481	1.8
190.07742	0.3
192.06616	0.4
193.08537	2.3
207.13733	0.5
211.09616	2.0
225.07341	0.9
225.10933	7.7
379.82632	0.2
387.16238	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	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62564	0.7
53.03930	0.8
55.01859	3.4
55.05496	1.4
57.03423	3.1
58.15420	0.7
59.05000	0.7
62.54572	0.7
65.03905	0.9
66.04694	1.3
67.05492	2.8
69.03413	1.3
69.07046	3.1
75.84372	0.8
79.05060	1.0
79.05479	18.9
81.03382	0.9
81.07034	6.2
85.06497	0.8
90.04675	1.2
91.05459	15.3
92.06236	1.0
92.09290	0.9
93.07003	8.7
94.38741	0.8
95.04971	6.0
95.08571	4.1
103.05453	20.2
104.06213	1.1
105.07014	44.2
107.04948	5.7
107.08563	6.2
108.05719	0.9
109.02865	4.0
109.06493	4.4
109.10146	1.3
115.05430	4.6
117.07001	1.7
118.04137	33.4
119.04903	7.2
119.08546	1.7
120.05693	5.1
121.06474	14.1
121.10117	1.6
122.07246	4.5
123.08054	3.6
124.05196	12.1
129.61519	0.7
131.04877	4.2
131.08554	1.9
132.05699	1.3
133.06468	53.1
133.10100	1.3
134.07233	5.4
135.04404	5.6
135.08041	6.5
135.11719	1.3
137.05946	5.0
137.09575	1.0
137.92744	0.8
143.08456	0.9
145.10089	3.0
147.04402	2.9
147.11629	1.5
149.06009	3.2
150.06750	21.5
151.07503	7.0
157.10141	1.5
159.11601	1.0
159.29193	0.7
161.05962	9.9
163.07489	1.8
165.09068	26.0
173.53555	0.8
177.05463	1.3
178.06052	2.4
179.06969	3.6
193.08572	100.0
194.09375	15.1
201.16530	1.2
209.08188	1.1
216.07594	1.5
369.28043	0.9
387.21024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03926	0.2
54.03456	0.4
54.88952	0.2
55.04248	0.3
58.06583	0.6
64.55503	0.2
68.99788	1.4
70.06580	100.0
74.14414	0.3
75.52940	0.3
79.05500	0.7
81.03395	0.4
81.07031	0.4
84.83599	0.3
89.92192	0.3
91.05472	0.7
93.07034	0.6
95.04955	0.4
103.05454	0.3
107.04935	1.7
119.04919	3.4
121.06498	3.5
123.04409	15.0
131.04915	0.7
135.04402	2.7
137.05981	0.4
147.04388	10.7
147.05469	0.5
148.70950	0.3
149.05959	8.2
159.04454	1.4
161.05991	0.7
165.05496	4.6
173.06010	0.3
175.07523	0.5
177.05437	71.4
178.05800	0.3
179.07138	0.4
189.05437	0.5
207.06540	1.9
219.06674	0.3
220.08707	0.3
234.11259	2.6
311.09247	0.3
329.10101	7.4
386.15903	38.1
387.16183	0.3
391.40826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.5
53.03928	3.7
55.01852	3.9
57.03428	6.8
57.07082	1.8
59.04984	0.6
61.02913	13.9
67.05482	3.1
69.03415	22.5
71.01323	0.6
71.04972	4.1
73.02914	6.1
74.90810	0.5
77.03913	0.6
79.05473	38.4
80.17875	0.6
81.03403	11.6
81.07030	1.5
83.01278	0.6
83.04946	0.5
85.02889	100.0
85.06528	32.1
87.04457	2.9
91.03943	5.3
91.05455	1.0
93.07014	3.4
95.04942	4.3
95.08615	1.2
96.47836	0.5
97.02269	1.1
97.02875	26.8
97.97398	0.5
98.97574	0.6
99.04436	6.3
105.03372	38.1
105.07005	1.2
107.04921	0.7
107.08611	1.0
109.02889	7.5
109.06528	1.9
119.08570	0.6
121.06487	0.8
121.10098	0.7
123.04406	84.5
127.03897	19.3
145.04939	29.9
161.46602	0.6
163.05963	6.6
175.25876	0.6
189.09093	4.9
202.49141	0.6
211.09621	0.6
223.16911	3.3
229.10654	2.8
240.11739	0.6
285.09625	1.1
292.68085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72397	1.3
51.14419	1.5
53.00301	1.8
54.81631	1.4
55.05503	21.5
55.54614	1.7
56.96553	7.9
58.22683	1.7
61.11014	1.7
67.05492	37.0
67.90078	1.6
68.71754	1.7
69.03404	4.0
69.07058	24.2
71.04968	2.3
79.05483	26.1
81.06602	2.6
81.07042	64.5
81.07528	2.2
83.08600	4.5
85.02901	2.8
85.06519	2.5
85.53130	1.5
91.05473	28.3
93.07029	44.0
95.04939	10.6
95.08011	4.1
95.08591	100.0
97.06495	2.8
97.10152	2.2
98.97562	8.6
99.08057	2.1
101.27955	2.0
105.06356	3.3
105.07011	47.7
107.08586	60.5
109.06517	7.5
109.10157	29.3
111.08145	2.4
116.98577	8.3
117.07010	7.6
119.01850	2.9
119.06039	2.0
119.08566	46.3
121.06455	1.9
121.10130	29.1
123.08051	4.0
123.11687	9.6
125.09622	7.0
131.08542	13.0
133.10124	28.1
135.08051	3.1
135.11671	12.6
137.09610	2.8
137.89565	2.2
139.11087	2.2
143.08536	7.7
145.10103	17.5
147.11629	20.3
149.13284	3.3
151.11206	3.1
155.08481	2.1
157.10085	11.6
158.10846	2.7
159.11688	18.4
161.13199	8.8
163.11176	2.7
169.10048	2.4
171.11647	3.3
173.13222	10.7
175.14787	8.3
176.12927	2.0
187.14754	4.2
189.16444	2.9
199.14772	2.6
211.14893	2.1
215.17888	7.4
253.19533	2.2
289.21460	2.9
342.88181	2.2
367.29752	2.7
385.30762	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.2
55.01868	1.5
55.05508	65.3
57.03176	1.3
57.03434	26.6
57.07070	46.8
59.04964	1.0
59.29705	0.9
62.69849	1.0
67.05492	23.7
69.03397	1.6
69.07055	75.2
71.04968	5.0
71.08249	1.2
71.08620	21.5
73.06535	1.3
79.05479	17.4
81.06593	1.8
81.07043	33.1
83.04969	5.2
83.08607	43.0
85.06532	1.8
85.10177	12.2
91.05470	7.5
93.07022	29.4
95.04938	2.0
95.08587	29.3
97.06512	7.2
97.10150	26.4
105.07011	11.7
107.08591	17.0
109.06446	1.1
109.10148	12.1
111.08086	5.3
111.11702	4.9
115.07624	1.0
117.06995	1.9
119.08566	6.3
121.06520	1.4
121.10120	12.0
123.11668	5.7
125.09632	4.6
126.48432	1.1
129.06967	1.3
131.08556	4.1
133.10088	5.5
135.11658	11.9
139.07549	1.2
139.11172	2.0
143.08559	1.5
145.10130	6.3
147.11673	2.0
149.09540	1.3
149.13249	6.9
153.12744	1.8
157.10144	1.5
159.11710	2.0
163.14780	4.4
167.14268	1.3
173.09697	1.4
173.13281	1.4
177.16362	1.9
191.17842	2.2
205.19574	1.7
284.62726	1.2
293.28333	9.7
303.71005	1.1
339.30136	1.2
367.26636	1.2
367.31989	11.2
385.33051	100.0
386.33392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.81208	0.2
55.01868	0.3
68.99784	0.8
70.06578	100.0
76.56046	0.3
76.56621	0.3
79.05470	0.5
81.07023	0.4
91.05489	0.7
93.07016	0.5
103.05407	0.4
107.04955	1.4
109.06490	0.6
119.04940	3.2
121.06483	2.5
123.04405	15.5
131.04916	0.5
135.04410	2.7
137.06041	0.4
147.04407	9.2
149.05952	7.5
149.07086	0.5
159.04424	1.6
161.05991	1.4
165.05428	4.5
175.07529	0.6
177.05438	69.7
189.05490	0.4
205.12111	0.4
207.06522	0.6
234.11241	2.4
329.10086	5.7
379.18765	0.5
386.15909	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	385.2372
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03938	1.9
53.09380	1.3
54.81743	1.2
55.01866	2.9
55.05504	14.7
57.03439	2.0
57.07069	3.6
57.90166	1.3
59.04988	3.5
62.97881	1.5
67.05493	24.4
69.03413	3.0
69.07066	18.3
71.04977	7.7
71.21452	1.6
79.05486	29.0
81.07046	87.6
83.04951	7.8
83.08595	7.1
91.05466	32.4
93.07028	60.1
95.04933	8.5
95.08602	32.6
97.06516	14.5
97.10121	2.6
98.06886	2.1
103.05453	46.6
105.02082	1.5
105.06369	2.7
105.07024	58.8
107.08588	47.2
109.06471	12.8
109.10149	45.9
111.08088	3.1
115.05453	1.9
117.07005	13.0
119.08578	43.9
121.06473	7.0
121.10133	48.7
123.08051	7.3
123.11684	16.9
128.06248	2.3
129.06961	6.0
130.07817	2.5
131.04912	100.0
131.08559	26.2
133.09181	2.7
133.10121	45.9
135.08029	2.9
135.11676	17.0
137.09625	2.2
143.08545	10.2
144.09315	1.5
145.10098	37.8
146.10887	1.6
147.11716	16.5
149.09642	7.4
149.13190	2.0
151.11163	14.7
155.08521	2.5
157.10132	9.9
159.11678	34.5
160.95741	1.7
161.13235	12.6
163.11171	7.3
171.11639	3.0
173.09604	2.0
173.13261	6.5
175.14778	2.8
177.12724	1.9
185.13286	2.7
191.17929	3.2
199.14928	2.1
201.16431	22.1
215.14417	1.8
216.07639	11.0
217.15878	2.1
219.17453	21.1
233.15138	2.6
237.18535	1.9
251.20355	1.6
277.94336	1.4
331.08804	1.6
335.21109	1.8
344.22449	2.4
367.26190	3.4
377.91748	1.6
385.19009	2.0
385.23334	5.4
385.27539	5.7
397.40677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71332	1.2
55.01855	1.8
55.05505	6.9
57.07060	1.5
57.29487	1.2
59.04993	3.7
67.05497	9.8
69.03392	1.3
69.07056	8.6
71.04971	2.0
71.08603	1.5
72.41706	1.4
79.05484	15.9
81.07048	38.5
83.08595	1.5
91.05473	11.5
92.09255	2.3
93.07026	27.3
95.04966	1.9
95.08582	19.1
97.06525	27.0
98.06855	3.7
103.05459	19.2
105.07003	25.2
107.08595	19.9
109.06508	4.0
109.10165	20.8
111.08095	2.6
117.07002	3.7
119.08591	16.6
121.10146	16.8
123.08081	2.1
123.11682	3.4
125.09614	2.0
129.35037	1.6
131.04906	40.8
131.08562	7.6
133.10126	17.5
134.17284	1.7
135.11722	3.3
137.09561	1.9
141.01085	1.6
145.10126	18.3
147.11687	6.6
149.09656	2.9
151.11270	2.8
155.08569	2.9
157.10152	3.4
159.11665	11.3
161.13249	3.8
201.05197	8.4
201.16435	6.6
202.05981	2.8
216.07564	100.0
217.08389	12.8
217.15936	1.9
219.17470	3.3
248.30006	1.7
302.08603	1.6
367.18723	2.3
385.19550	3.5
385.23700	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2373
Annotation	Vernoeggersic acid
Peak:m/z	Relative Intensity
53.03915	0.9
55.05492	4.2
57.07059	1.3
57.82656	0.5
60.60792	0.6
67.05502	5.4
69.03413	12.4
69.07040	3.9
70.57691	0.6
71.04971	0.9
79.05470	8.1
81.07036	11.5
82.22517	0.6
82.81954	0.6
83.04955	2.8
83.08585	1.1
91.05466	9.9
93.07019	26.5
95.04940	3.6
95.08572	6.2
103.05450	57.8
105.07014	11.4
107.08578	17.7
109.06483	3.8
109.10138	3.7
117.06963	1.4
119.08552	10.7
121.06474	2.8
121.10123	29.7
123.08017	1.1
123.11693	2.5
125.09592	0.9
129.07002	1.3
131.04903	100.0
131.08513	3.5
133.10097	7.4
135.07994	0.8
135.11671	14.0
136.12033	0.8
139.07513	0.9
143.08597	0.9
145.10089	8.3
147.08000	1.5
147.11633	3.1
149.06006	0.9
149.09671	2.1
149.13168	1.4
151.11169	3.2
156.92938	0.6
157.10080	1.5
159.08035	0.8
159.11676	3.4
161.09584	0.9
161.13242	0.7
163.11179	4.0
171.11671	1.4
173.13237	1.0
175.11154	1.0
175.14848	0.9
199.14842	0.8
201.12898	0.7
201.16382	1.5
219.17520	4.6
233.15302	1.0
316.17361	0.8
367.26257	1.2
385.23236	2.4
385.27386	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71332	1.2
55.01855	1.8
55.05505	6.9
57.07060	1.5
57.29487	1.2
59.04993	3.7
67.05497	9.8
69.03392	1.3
69.07056	8.6
71.04971	2.0
71.08603	1.5
72.41706	1.4
79.05484	15.9
81.07048	38.5
83.08595	1.5
91.05473	11.5
92.09255	2.3
93.07026	27.3
95.04966	1.9
95.08582	19.1
97.06525	27.0
98.06855	3.7
103.05459	19.2
105.07003	25.2
107.08595	19.9
109.06508	4.0
109.10165	20.8
111.08095	2.6
117.07002	3.7
119.08591	16.6
121.10146	16.8
123.08081	2.1
123.11682	3.4
125.09614	2.0
129.35037	1.6
131.04906	40.8
131.08562	7.6
133.10126	17.5
134.17284	1.7
135.11722	3.3
137.09561	1.9
141.01085	1.6
145.10126	18.3
147.11687	6.6
149.09656	2.9
151.11270	2.8
155.08569	2.9
157.10152	3.4
159.11665	11.3
161.13249	3.8
201.05197	8.4
201.16435	6.6
202.05981	2.8
216.07564	100.0
217.08389	12.8
217.15936	1.9
219.17470	3.3
248.30006	1.7
302.08603	1.6
367.18723	2.3
385.19550	3.5
385.23700	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01871	0.8
55.05521	4.3
57.07059	3.0
59.04978	0.8
67.05498	6.6
69.03403	2.5
69.07073	4.7
71.04965	2.2
71.18993	0.5
79.05475	10.1
81.07043	13.8
81.07488	1.1
82.07413	0.6
83.04951	3.8
83.08619	0.9
85.06519	2.4
91.05460	9.8
93.07016	14.1
95.04936	4.7
95.08589	6.5
97.06510	3.6
103.05418	0.6
105.07016	13.7
107.04937	0.6
107.08588	11.5
109.06497	4.6
109.10165	4.8
111.08054	1.0
113.05997	0.7
115.05420	1.3
115.54445	0.6
116.98631	0.7
117.07014	4.2
119.08577	10.8
121.05297	0.6
121.06465	1.2
121.10111	3.7
123.04446	0.6
123.08060	0.9
123.11708	1.2
125.09598	0.6
129.06958	2.5
130.07751	0.7
131.04892	0.9
131.08542	6.3
133.10114	8.2
135.08028	0.9
135.11678	3.6
137.09602	2.3
141.06975	0.8
142.07721	1.3
143.08553	2.9
145.06390	0.8
145.10129	6.3
147.08064	1.4
147.11682	3.3
149.09610	3.8
149.13258	1.3
151.11165	2.5
153.60451	0.6
155.08517	1.1
156.66307	0.6
157.10141	3.2
159.11624	5.1
161.09619	0.8
161.13217	1.2
169.10185	0.7
171.11685	2.5
173.09592	0.7
173.13293	2.5
175.11198	1.1
175.14793	1.0
177.08792	0.6
179.10677	0.9
183.11659	1.0
185.13124	0.8
187.14774	1.0
189.12723	0.7
197.13176	0.8
199.07236	0.6
199.14784	2.4
201.05142	1.3
216.07535	16.4
251.06032	0.6
270.70615	0.6
367.26004	1.8
385.19775	100.0
385.27774	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.53013	0.4
56.96563	0.7
65.03917	0.6
67.05490	3.9
69.03426	0.6
71.04984	3.4
79.05475	1.1
81.07039	3.1
85.02895	0.9
85.06543	1.7
91.05457	4.0
93.07026	4.3
95.04941	2.7
95.08586	53.9
97.06526	0.5
98.97564	2.4
103.05512	0.4
105.07012	7.9
107.04883	0.6
107.08572	4.4
109.06507	0.8
116.98600	1.1
117.06984	6.6
119.07706	0.7
119.08560	16.9
121.06509	0.5
121.10092	1.9
121.75488	0.4
123.08042	0.4
128.06192	0.9
129.06990	2.6
130.07733	0.9
131.04883	0.6
131.08553	12.2
133.10133	2.7
134.99648	0.6
135.08043	1.7
135.10776	0.4
135.11623	4.0
144.09329	5.8
145.10132	1.7
147.08047	0.8
157.06383	0.6
157.10100	2.2
159.11668	100.0
161.05966	6.2
163.02725	1.0
163.11157	2.4
175.07477	2.5
177.12715	98.1
178.13040	0.5
187.02606	0.5
189.09056	1.0
205.12178	6.8
223.13254	9.4
247.07652	0.5
248.08478	0.4
249.09048	0.8
251.10562	0.7
277.08563	0.6
279.10114	0.5
309.10995	0.6
311.12671	1.6
331.63763	0.5
355.15259	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
54.50941	1.0
55.01863	2.6
55.05500	6.4
56.96563	1.5
57.03433	8.5
57.03669	0.9
59.04963	0.9
61.02914	9.6
65.03945	1.7
65.95139	1.0
67.05496	6.1
69.03065	1.8
69.03416	34.8
69.07057	1.6
70.06574	12.3
71.04964	16.5
73.02895	4.6
79.05466	13.6
81.03414	9.2
81.07043	10.7
82.40202	1.1
83.04965	6.4
85.02888	49.7
85.06556	1.1
87.04460	5.0
91.05457	94.7
93.07037	15.9
95.04966	9.0
95.08586	8.8
97.02872	17.8
98.97556	12.7
99.04422	23.0
103.05438	5.1
105.07013	98.7
107.04951	2.4
107.08571	31.8
109.02876	7.1
109.06515	7.2
109.10140	4.5
114.09151	4.7
115.05422	5.5
116.98605	6.2
117.06998	23.6
119.04931	1.7
119.08562	50.8
121.06478	28.6
121.10116	5.7
123.04395	1.1
123.08051	5.3
124.99111	1.3
127.03899	6.3
128.06209	2.6
129.06978	19.0
130.07773	9.2
131.04968	1.8
131.08548	28.6
133.04927	1.1
133.06479	18.4
133.10121	14.2
134.99657	2.4
135.08026	29.9
135.11670	1.8
141.07013	6.1
142.07747	17.3
143.00218	4.6
143.08549	7.6
144.05658	1.7
144.09315	14.8
145.04947	4.8
145.06480	22.4
145.10104	61.5
146.07275	6.9
147.08015	22.3
147.11673	24.3
149.05928	1.1
149.09605	2.4
154.07742	2.1
157.10100	22.0
158.07240	9.4
159.08054	17.8
159.11653	40.4
160.08809	38.0
161.01216	1.8
161.09590	7.3
161.13252	1.5
163.07539	1.1
163.11192	5.0
169.10126	4.4
170.99660	1.5
172.08818	7.3
173.09505	1.8
175.11147	100.0
177.05453	6.4
177.12715	4.9
182.99648	1.5
187.11137	30.4
189.00742	4.1
201.00702	2.6
205.12199	67.8
207.07684	1.7
207.13864	1.4
219.01749	4.8
223.13245	37.6
223.15306	1.7
237.02809	3.9
249.02721	2.2
291.03802	5.1
327.07385	2.4
332.99884	1.1
385.14297	3.1
385.27814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.05486	1.3
62.51555	0.6
63.99995	0.7
64.00325	0.5
64.09807	0.5
64.18867	0.5
67.05492	2.7
69.07046	2.6
71.04955	0.8
73.61948	0.5
77.00720	0.7
78.78525	0.6
79.05466	3.6
81.07040	6.4
91.05448	3.9
93.07021	6.4
95.04933	0.8
95.08570	3.9
97.06507	10.2
98.06844	0.8
105.07012	5.6
106.03891	1.3
107.08557	4.9
109.06467	1.0
109.10150	1.0
111.08053	0.6
117.06995	1.2
119.08566	4.2
121.06513	1.0
121.10101	3.0
125.70621	0.6
129.06947	0.9
131.08524	3.4
133.06322	0.8
133.10100	3.3
135.08109	0.8
135.11662	2.5
143.08577	1.5
144.11362	0.6
145.10085	3.5
147.11673	2.6
149.09682	0.7
151.59599	0.7
157.10101	0.9
159.11624	1.5
161.20160	0.6
176.08049	1.1
191.10413	2.7
201.05191	9.8
202.06021	2.4
216.07539	100.0
217.08318	17.9
234.08522	1.3
270.90115	0.7
339.15674	4.9
343.22549	1.0
344.22812	0.8
351.19748	0.6
353.17145	21.3
367.26074	0.7
385.19540	9.9
385.23544	2.0
385.27429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
53.14470	0.5
55.01867	2.7
55.05500	3.2
56.96533	0.7
57.03434	5.1
59.05006	0.6
59.58958	0.5
61.02917	8.2
65.58615	0.6
65.89388	0.5
67.05505	1.2
69.03416	27.1
71.04982	3.3
73.02898	4.0
79.05483	2.7
81.03408	9.3
81.07034	2.8
83.01319	0.9
83.04996	1.1
85.02891	55.0
86.09697	0.9
87.04461	2.4
87.77622	0.6
87.90564	0.6
91.03944	2.7
91.05460	4.9
93.07019	3.3
94.93044	0.7
95.04963	2.7
95.08588	2.8
97.02878	17.1
97.06493	1.1
99.04473	4.9
105.07014	13.6
107.04954	0.9
107.08562	6.5
109.02853	5.6
109.06511	3.3
109.10137	1.4
117.07014	2.8
119.08546	7.5
121.06493	14.5
121.10103	1.5
123.08050	3.5
127.03884	9.0
128.06229	0.9
129.06947	0.7
131.04970	0.9
131.08568	3.0
133.06491	0.9
133.10110	15.7
135.08034	13.2
135.11691	2.8
137.05960	1.1
137.09618	9.7
141.24910	0.6
143.08578	6.5
144.09328	1.1
145.04948	8.4
145.10124	4.1
146.07230	5.3
147.08037	2.8
147.11671	0.8
149.09598	3.0
151.11189	1.1
159.11659	4.8
161.09578	26.7
163.07486	13.1
163.11189	3.9
165.09100	6.2
169.10170	0.8
172.08830	2.7
175.11070	1.6
177.12718	2.8
179.10640	35.7
187.11119	3.9
205.12213	27.0
223.13258	100.0
289.54977	0.7
341.16022	1.0
345.11694	0.8
385.18640	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	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01855	10.3
55.05490	3.3
57.03421	9.0
61.02898	11.4
63.91159	1.7
65.48530	1.7
67.05489	2.9
67.06260	2.0
69.03410	42.2
69.07040	1.9
70.06574	29.9
71.04961	11.7
73.02893	4.5
79.05460	11.5
81.03401	12.2
81.07029	11.6
81.48433	1.8
85.02419	3.4
85.02888	60.1
87.04453	4.8
91.03907	2.5
91.05449	28.1
93.07002	12.5
95.04913	10.2
95.08557	10.7
97.02862	25.2
99.04420	12.8
103.05441	4.0
105.06366	3.9
105.07011	65.0
107.08573	20.3
109.02874	7.8
109.06486	8.5
109.10159	2.5
111.04438	2.5
111.08092	2.4
115.05425	8.2
117.06980	21.3
118.06523	3.1
119.08561	49.4
121.06471	22.1
121.10073	3.5
123.04411	7.9
123.07973	2.9
123.11669	2.4
127.03888	7.9
128.06152	3.0
129.06984	11.5
130.06441	2.9
130.07701	7.6
131.08548	29.6
133.06406	16.7
133.10089	11.5
135.08022	90.2
141.06995	3.3
142.07753	13.4
143.08530	3.0
144.09340	12.5
145.04962	2.1
145.06488	23.7
145.10110	48.5
146.07240	10.2
146.30032	2.0
147.08017	22.0
147.11632	19.1
149.05893	2.6
151.11122	3.2
157.10089	16.3
158.07179	5.0
159.08064	19.8
159.10440	3.0
159.11668	33.9
160.07619	5.0
160.08815	38.4
161.09573	4.9
163.05824	3.3
163.11203	7.5
169.10060	3.8
172.08789	8.4
175.11156	100.0
177.05408	15.5
187.11127	20.4
187.12878	2.0
188.07071	3.8
205.12202	56.5
206.08052	8.9
223.13281	18.8
370.75586	2.3
386.15997	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	385.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05500	4.4
56.96557	100.0
57.03412	0.7
64.10635	0.7
67.05488	5.4
69.07029	1.0
71.04982	3.7
71.95240	4.9
77.28870	0.7
79.05464	4.9
81.03407	0.8
81.07036	9.9
83.04983	1.8
84.96027	3.1
85.02874	1.1
91.05447	10.2
93.07019	9.8
95.04939	5.1
95.08583	3.9
97.06532	0.9
98.97561	91.1
100.11251	0.7
105.07019	8.3
107.08587	3.6
109.06482	1.8
109.10157	1.7
110.10448	0.8
110.97505	1.0
115.00674	3.0
116.98601	90.3
117.06998	1.3
119.08564	3.8
121.06483	1.0
121.10130	1.1
123.08102	1.7
123.11685	1.2
124.99068	1.5
125.09615	1.1
127.00649	4.1
131.08514	3.5
133.01730	1.7
133.10094	2.0
134.99637	53.8
139.00629	1.2
140.00163	0.9
141.02232	1.8
143.00145	3.2
143.08565	1.1
145.01688	5.9
145.10072	1.1
147.03258	2.0
149.01273	1.4
149.09641	1.0
153.00703	8.8
153.02008	0.8
155.03807	3.1
157.01675	6.6
159.03267	11.3
161.01190	4.3
165.02187	1.8
165.04375	1.1
169.01674	4.5
171.03223	6.5
172.54715	0.8
173.04802	1.2
175.02725	6.0
177.04320	4.2
183.03256	5.7
185.01184	1.0
185.04829	4.8
187.02701	6.6
188.03685	1.0
189.04317	3.5
195.03291	3.2
197.01083	1.2
197.04832	5.4
199.02792	3.3
201.04315	6.1
203.02179	1.0
203.05943	1.8
209.04823	1.2
211.06400	1.0
215.05916	4.8
223.06326	3.0
227.05835	1.9
229.07396	0.8
239.06033	1.0
249.07916	1.3
257.06729	0.8
269.06970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78750	0.6
53.03930	3.3
54.52433	0.6
55.01870	6.8
55.05508	8.0
57.03434	15.1
59.04987	1.7
61.02919	8.8
61.71157	0.7
63.26099	0.7
67.05490	0.7
69.03416	42.9
71.01326	1.0
71.04984	1.9
73.02901	10.4
73.06538	40.7
79.05476	4.2
81.03410	8.3
81.07030	1.5
83.01326	1.2
83.04990	1.1
85.02893	100.0
87.04449	15.7
89.04797	0.8
91.03938	1.7
91.05475	1.9
95.04948	3.7
97.02869	39.0
97.14601	0.8
98.97582	0.9
99.04446	5.5
101.02357	1.0
103.03951	1.3
103.05436	3.6
105.07013	34.0
107.04935	1.1
109.02876	9.3
113.06043	0.8
115.03912	16.4
115.05475	6.4
117.06999	1.5
118.04146	1.8
119.01881	1.6
119.04882	1.0
120.05580	1.2
123.04425	3.8
127.03901	20.3
129.06886	0.9
131.04898	1.6
133.04955	15.5
133.06471	29.9
140.04732	0.9
143.06024	3.1
145.04953	21.4
145.06409	2.9
157.06496	1.2
161.05960	42.9
163.05966	10.0
167.07014	11.3
169.08525	1.1
169.12178	1.1
173.02939	1.0
173.05986	3.1
175.03821	1.2
175.07542	1.2
184.02203	1.0
187.09598	1.1
187.13306	1.2
189.05473	1.3
192.07756	1.4
193.08595	17.8
201.05400	1.0
205.07066	1.1
205.08737	1.8
207.06549	3.4
213.05592	0.9
217.08594	1.3
219.06656	0.9
219.83742	0.9
226.03186	1.1
229.04832	1.2
231.06546	1.0
233.04517	3.1
233.08037	1.3
251.09111	4.8
253.12920	2.8
261.07608	1.8
263.09314	0.9
289.07327	1.1
307.07819	0.9
368.10168	1.4
394.86353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91498	0.9
52.19514	1.1
53.15084	0.9
53.82375	1.1
55.01869	9.0
55.05481	3.1
56.96546	1.3
57.03417	2.4
61.02903	7.9
66.04482	1.2
67.05472	1.2
71.04964	1.2
73.02909	2.4
81.07014	6.0
83.04951	6.1
85.00191	1.3
85.02887	2.7
87.00793	5.3
91.05437	5.7
93.98676	1.2
95.04941	4.9
97.02843	2.8
103.05442	13.2
105.07008	6.4
107.08553	2.3
115.05437	6.5
116.06181	1.9
116.98642	1.2
117.06908	1.4
118.04134	7.3
119.03364	6.6
119.04858	2.0
123.11679	1.8
127.03968	1.4
128.06209	4.7
129.06956	7.2
130.04082	4.9
131.04900	45.3
131.08545	2.2
133.06433	7.8
139.03896	2.8
140.04642	1.4
141.06955	18.0
143.03407	1.6
143.04965	2.4
144.05701	2.1
145.06462	5.8
146.03568	5.3
147.04398	6.6
148.05167	1.7
149.05975	2.0
153.07004	1.2
155.03438	1.4
155.04854	1.9
155.07050	1.4
157.02832	7.2
157.06477	10.2
158.07237	2.8
159.04385	10.8
159.07974	5.0
160.05095	2.5
161.05969	19.7
162.03108	1.6
164.38905	1.2
165.05426	1.8
167.07005	7.9
169.06488	27.1
169.12204	7.0
170.03621	1.6
171.04359	8.1
172.05130	2.3
173.05948	12.5
173.71788	1.2
175.03867	7.0
175.07513	5.0
176.04671	10.7
177.05444	7.8
178.06279	1.9
180.07742	8.5
181.04887	2.3
184.05130	2.5
185.05951	9.4
186.06709	12.4
187.03874	22.3
187.07559	8.6
188.04643	3.1
188.06970	2.8
189.01799	7.1
189.05443	21.9
189.09021	1.5
190.06245	4.8
191.06996	44.4
192.04199	1.6
192.07762	1.6
193.08583	2.9
196.05240	2.3
197.05931	18.6
199.03897	6.0
200.04657	7.3
201.05452	7.6
201.09106	6.6
202.06216	2.2
203.03358	6.0
203.07002	6.9
203.62614	1.4
204.04158	24.9
204.07770	2.3
205.04897	2.0
205.08601	7.1
206.05763	1.7
207.06503	7.0
211.07442	2.4
213.05354	5.5
214.06212	7.9
215.06964	24.2
217.04977	10.4
217.08597	2.2
218.05775	8.8
219.06490	22.1
227.03360	1.9
229.04915	2.6
229.08533	15.9
230.05721	3.0
231.02888	1.5
231.06529	10.1
233.08006	6.6
235.05832	4.1
242.05734	5.8
243.06479	12.9
244.03839	1.8
245.04459	17.7
245.07974	7.5
247.09583	11.4
249.07489	2.0
257.08044	19.5
259.06003	1.9
260.06747	45.7
261.07224	2.0
262.04712	5.4
263.05423	2.8
273.07394	6.2
275.09070	100.0
277.07013	19.5
287.05466	11.5
301.06982	7.8
319.08020	17.2
337.09091	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	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97946	0.4
55.01867	0.4
55.05507	0.8
55.28495	0.4
57.03418	0.5
57.07058	0.4
58.35109	0.4
59.04972	0.5
63.42304	0.4
67.05501	5.2
69.03416	1.1
69.07056	48.3
70.06572	0.7
71.04984	6.4
71.82279	0.4
73.02869	0.6
79.05450	0.5
81.03395	0.5
81.07039	8.6
83.08566	0.5
85.02896	4.2
85.06531	2.6
86.56808	0.5
91.05473	2.6
93.07017	2.4
95.04954	0.6
95.08593	9.8
97.02869	0.5
97.06511	1.1
99.08076	0.6
105.07015	0.7
107.08587	9.0
109.10143	100.0
111.08050	1.1
113.06009	6.2
119.04932	3.5
121.10188	0.7
123.08046	1.1
123.11684	24.0
127.11168	14.8
133.10115	3.1
141.09074	3.9
147.04401	11.5
148.04729	0.9
151.07544	1.9
151.11162	11.9
151.65189	0.4
169.12219	20.7
187.09662	7.8
187.13266	37.8
190.04996	2.2
205.10721	0.7
205.14359	2.2
207.07635	0.5
209.04314	0.5
222.07582	2.6
258.24796	0.6
308.48343	0.6
406.02988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
54.81295	2.8
55.01873	6.1
55.05508	29.6
56.96563	5.2
57.07053	2.6
59.05006	3.5
65.03945	2.4
67.05502	40.5
69.03409	4.9
69.07054	43.1
71.04980	12.0
72.16371	2.4
79.05473	42.1
81.07047	86.3
83.05003	9.0
83.08607	11.5
85.02904	6.5
85.06538	5.9
90.24896	2.2
91.05472	58.0
92.63579	3.0
93.07037	86.1
94.07363	3.2
95.04958	18.7
95.08595	71.3
95.99155	2.6
97.06510	13.7
97.10146	3.6
103.05459	6.1
105.07018	92.9
107.04955	6.5
107.08590	100.0
109.06512	17.4
109.10158	45.4
111.04447	3.2
111.08080	4.6
112.48500	2.4
113.02380	5.6
115.05446	4.4
117.07020	24.3
119.08566	54.0
121.06500	14.5
121.10155	53.9
123.08019	10.0
123.11697	17.0
125.09639	3.1
128.06206	3.0
129.07036	5.2
131.04890	18.8
131.08560	26.7
133.10123	75.2
135.04399	3.4
135.08061	22.3
135.11681	51.2
137.09627	3.5
137.13176	4.2
139.11055	3.4
140.13618	2.8
142.07784	4.4
143.08575	6.6
144.09447	3.1
145.06511	4.8
145.10135	47.4
147.08055	2.9
147.11700	11.2
149.09607	13.8
149.13275	5.5
157.10150	5.0
157.90865	2.6
159.11673	30.9
161.13213	6.5
163.11174	13.2
173.13272	3.4
175.14790	26.5
177.12682	3.1
183.11777	2.7
191.17885	23.2
201.16342	25.8
219.17445	91.1
237.18462	56.6
329.92453	2.9
331.19080	3.3
384.30823	50.6
409.63812	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	385.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14888	1.2
55.01857	9.1
55.05507	11.2
57.03425	2.6
61.02906	8.5
69.03404	2.9
69.40751	1.3
69.69501	1.5
71.04964	9.1
73.02901	2.4
81.07053	7.3
83.04960	7.2
85.02904	6.6
87.00806	3.5
91.03951	1.9
91.05462	6.7
95.04937	1.8
97.02862	2.7
97.06487	1.6
103.05437	12.5
105.07017	3.9
107.04931	1.7
107.08599	2.4
115.05436	8.2
117.07001	1.9
118.04133	8.3
119.03394	7.8
119.04967	5.5
124.11983	2.0
129.06961	3.0
130.04150	2.5
131.04892	59.1
131.08537	2.0
132.05669	3.2
133.06480	3.0
137.95197	1.7
139.03889	2.7
141.06946	23.3
143.03387	6.8
143.04851	2.3
144.05675	6.5
145.06480	9.2
146.03586	8.4
147.04463	7.7
148.05171	2.9
149.06050	2.5
151.11185	2.1
155.03415	1.7
155.04880	3.8
155.06984	1.9
157.02812	6.0
157.06464	13.0
158.07248	3.6
159.04404	9.8
159.07967	3.0
160.05215	3.9
161.05928	20.7
162.03075	2.2
167.07001	8.2
168.05699	2.7
169.06416	20.0
169.12170	12.6
171.04381	9.3
172.05196	1.8
173.05946	11.6
175.03856	6.0
175.07469	2.0
176.04639	8.4
177.05412	3.7
178.06203	2.3
180.07809	6.6
181.05003	2.2
183.04401	1.7
183.08018	2.7
184.05176	2.7
185.05977	9.6
186.06767	13.8
187.03868	24.0
187.07460	13.5
188.04681	5.8
189.01826	3.9
189.05421	19.4
190.06209	6.8
191.06990	58.0
192.04144	2.2
193.08537	6.2
196.05147	2.5
197.05931	19.8
199.03928	6.9
200.04686	6.2
201.05376	3.9
201.09070	7.8
203.03354	6.4
203.07016	8.7
204.04156	25.2
204.07845	2.2
205.05029	2.2
205.08549	6.8
206.05647	2.1
211.07487	2.0
213.05391	2.1
214.06239	10.3
215.07001	22.6
216.04173	6.4
217.04915	12.1
217.08542	2.5
218.05640	7.7
219.06482	27.2
221.08043	2.3
229.04965	3.2
229.08546	15.0
231.06508	10.6
232.07343	2.7
233.08078	6.7
235.05969	3.7
242.05815	6.3
243.06400	12.7
245.04326	21.5
245.08000	7.7
247.09561	15.0
249.07474	3.7
257.07980	17.7
260.06726	45.5
261.07541	2.4
262.04422	5.3
263.05460	2.7
273.07471	3.8
275.09048	100.0
277.06995	17.8
287.05551	13.4
301.07126	3.6
319.08047	16.2
337.09055	9.7
385.14606	2.6
385.94412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15219	0.2
51.34361	0.3
53.00266	0.3
54.88053	0.3
55.05488	0.6
57.03410	0.3
57.07069	0.4
58.22085	0.3
59.04987	0.4
61.02910	0.3
64.11909	0.3
67.05488	6.0
69.03405	1.6
69.07053	49.5
71.04967	5.3
77.96838	0.3
78.23832	0.3
79.05471	0.7
81.07040	6.7
85.02879	2.4
85.06532	1.7
87.04484	0.3
90.66460	0.3
91.05471	0.6
93.06500	0.4
93.07037	1.4
95.04929	0.4
95.08583	8.8
97.02847	0.5
97.06519	0.5
99.04447	0.3
105.06988	0.3
107.08577	8.1
109.10137	100.0
111.08071	1.6
113.05997	6.5
121.10181	0.5
123.08037	2.2
123.11681	17.8
125.09620	0.4
127.11169	16.6
133.10094	3.0
134.05933	0.3
134.72575	0.3
139.11102	0.5
141.09081	3.6
147.04422	0.5
147.81261	0.4
151.07552	2.3
151.11157	11.5
169.08516	0.7
169.12199	20.1
187.09663	5.2
187.13252	39.0
190.05008	1.5
204.07555	0.4
205.10632	0.5
205.14345	2.7
222.07655	1.6
230.82281	0.3
248.33427	0.4
262.81360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59522	0.7
54.81865	0.6
55.01865	2.9
55.05489	4.1
57.03428	14.9
61.02898	4.5
67.05145	1.1
67.05494	30.9
67.20115	0.7
69.03415	6.1
69.07034	1.3
71.04968	1.0
73.02903	26.6
74.09679	0.8
79.05050	1.5
79.05474	23.3
81.03392	1.8
81.07039	12.7
83.04961	3.7
83.08580	1.0
85.02895	11.0
85.06500	1.5
87.04446	9.5
91.05467	9.0
92.09341	1.7
93.07025	40.1
95.04922	1.7
95.08586	1.7
97.02859	4.0
97.06528	0.8
97.10147	3.7
97.65714	0.7
107.04929	0.8
107.08577	47.0
107.09303	1.7
109.06500	7.0
109.10143	33.4
111.08064	21.7
115.03898	7.5
117.06993	8.9
123.08029	2.7
125.09603	26.2
127.07541	4.3
127.11187	1.4
129.09023	0.9
130.06543	0.9
135.04410	1.1
135.08031	55.8
150.07596	0.9
151.07509	1.0
153.09082	100.0
155.06992	18.8
157.08603	3.4
163.03909	1.3
163.07463	1.4
171.10126	45.5
176.07152	0.9
181.08548	22.5
187.09576	1.1
199.09624	23.9
217.10683	36.7
235.11716	51.1
384.13370	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	384.1147
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.53009	0.7
54.14479	0.7
55.01842	1.2
55.05489	1.0
57.03422	5.3
59.04993	0.9
60.40231	0.8
61.02907	1.3
64.33468	0.8
67.05485	1.4
69.03413	4.5
69.07045	1.3
70.06577	14.6
70.54711	0.7
71.01337	1.5
71.04980	1.8
73.02878	1.9
79.05447	0.9
81.03392	1.3
81.07028	3.3
83.04951	1.5
85.02873	7.6
90.20570	0.8
91.05463	1.7
93.07027	1.6
95.04935	0.8
95.08601	3.2
97.02853	1.3
97.06488	1.3
98.97576	1.1
99.04411	0.9
105.07034	1.0
107.08543	6.6
109.06510	3.3
109.10161	1.4
111.08118	1.2
113.05994	0.8
115.03922	1.2
121.05085	0.9
123.11694	2.1
125.09599	1.1
127.03918	0.9
135.06625	1.6
135.26556	0.8
136.06160	30.0
137.05966	5.4
140.23053	0.8
141.09106	1.3
147.52142	0.8
148.06152	9.4
149.09743	0.9
151.11145	2.0
152.13101	0.9
155.05684	0.9
160.06094	1.3
162.07713	62.3
163.08707	1.0
164.08958	0.8
165.05457	11.5
169.08569	1.4
169.12225	4.6
187.09647	1.7
188.05637	18.0
192.05133	33.2
205.05258	0.9
206.06656	8.8
222.07423	1.6
234.06194	18.1
241.93100	0.9
252.07220	100.0
330.10718	0.9
384.11465	24.9
384.16409	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	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25987	0.8
53.03939	1.6
54.37223	0.7
55.01866	11.7
55.05499	2.2
55.88515	0.7
57.03427	18.9
59.04984	1.4
59.46728	0.8
61.02919	12.0
61.20807	0.7
67.05488	2.3
69.03069	1.6
69.03419	32.5
69.07050	2.1
71.01334	5.3
71.04971	7.4
72.04522	1.7
73.02901	23.2
79.05465	1.8
81.03388	9.6
81.07038	13.7
83.04961	6.9
85.02892	100.0
85.06521	1.5
87.04439	5.9
91.03935	4.9
91.05457	1.8
93.07011	3.9
95.04948	1.8
95.08588	3.9
95.43079	0.8
97.02261	1.7
97.02872	36.7
97.06508	4.1
99.04424	6.2
99.93126	0.9
101.02374	1.1
103.03921	2.1
103.05460	1.3
105.07024	2.1
107.08582	4.5
109.02836	8.9
109.06491	2.1
109.10154	2.2
111.08086	1.0
113.05960	1.0
115.03913	12.7
123.11679	5.1
127.03882	17.8
131.04860	6.5
132.06522	1.0
133.04935	13.7
133.06383	0.9
135.08043	0.9
141.08974	0.9
144.99846	1.1
145.04941	30.1
147.26303	0.9
150.07631	1.4
151.07538	1.3
151.11174	5.0
159.04425	1.2
161.05920	2.1
163.05978	9.6
169.06415	1.7
169.12201	10.5
175.04016	1.3
186.06839	1.2
187.03865	1.7
187.09485	1.1
189.05487	1.6
191.06992	4.3
197.05957	2.0
199.09633	2.1
204.04129	2.0
215.06989	2.0
217.04926	1.7
217.10645	1.8
219.06424	1.7
222.11163	1.4
223.06078	1.1
241.07266	1.0
245.04433	1.6
257.07867	1.1
260.06766	4.4
275.09097	7.5
277.07013	1.5
319.08124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40229	0.7
53.03927	4.6
54.81847	0.9
55.01871	1.4
55.05499	8.1
57.07056	1.0
59.04971	0.9
61.54280	0.9
65.03936	1.2
65.35520	0.8
66.62903	0.7
67.05488	13.2
69.03406	5.3
69.07058	6.2
71.04968	1.4
79.05476	32.6
81.07039	100.0
82.07372	5.0
83.04965	4.0
83.08584	1.4
91.05460	22.8
93.07024	38.1
94.07368	1.4
95.04948	7.5
95.08582	16.2
97.06486	4.3
99.53235	0.9
102.99776	0.7
103.05443	17.4
105.07017	27.2
106.07368	3.3
107.08582	20.8
108.08912	1.4
109.06458	6.5
109.10126	10.3
111.04444	4.1
111.08043	3.8
115.05406	1.4
117.07023	5.1
119.08557	21.1
120.08916	1.4
121.06460	3.5
121.10114	7.5
123.08063	4.8
123.11672	1.7
125.09577	1.6
127.07552	0.8
127.10917	0.8
128.06189	1.6
129.06963	3.4
131.04907	38.4
131.08536	8.6
133.10114	16.7
134.10478	1.6
134.88319	0.9
135.08046	3.6
135.11691	5.2
137.09630	13.2
138.52946	1.0
141.06947	9.3
142.07771	4.2
143.08539	6.5
143.75267	0.9
145.06511	1.2
145.10095	8.7
146.07259	1.6
147.08011	3.9
147.11671	4.7
149.09601	3.5
149.13339	1.1
151.11134	1.4
155.08521	6.5
157.10132	6.7
159.11635	6.2
161.09589	8.6
161.13284	1.8
162.09955	3.3
168.09267	2.2
169.10126	1.1
175.11174	1.1
178.07724	1.1
179.10660	6.9
180.11037	5.4
181.10074	1.1
183.11662	18.1
189.16270	1.1
199.14844	2.2
211.11275	1.6
216.54115	1.0
217.15933	1.2
229.12117	1.4
383.21289	4.7
383.25687	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.7
55.05506	4.0
55.50400	0.5
56.96555	3.0
57.07070	1.2
67.05505	6.3
68.64328	0.5
69.03409	1.0
69.07060	5.6
71.08611	0.9
79.05476	3.7
81.07045	11.1
81.08329	0.6
83.08601	1.0
85.02894	2.8
91.05466	9.3
93.07024	8.9
95.04940	0.8
95.08588	23.1
97.06496	0.6
98.97585	0.7
105.07015	56.0
107.08575	9.1
109.10135	12.8
117.06980	1.1
119.08562	32.2
121.10142	5.9
123.11691	2.8
131.08528	5.2
133.10104	31.1
133.11127	0.6
134.99667	0.8
135.11688	1.3
145.10110	4.6
146.10861	0.9
147.11671	100.0
159.11676	1.1
160.12495	2.4
161.13217	10.2
175.14742	1.1
189.62827	0.8
203.17931	80.3
244.84119	0.6
257.90674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49519	1.4
53.03933	10.1
55.01861	6.5
55.05507	14.5
55.52907	1.5
57.07065	3.4
65.03926	2.9
67.05500	23.0
69.03397	2.1
69.07062	16.9
69.07385	2.3
73.98649	1.5
76.56773	1.8
79.05476	56.0
81.07043	100.0
83.08579	6.6
85.06529	27.5
89.85329	1.6
91.05478	40.4
92.44526	1.8
93.07025	93.4
95.04949	13.0
95.08585	29.7
97.06472	2.6
97.10136	2.2
103.05405	2.3
105.06366	3.4
105.07018	64.2
107.08585	37.6
109.06513	13.3
109.10142	24.4
111.08069	23.8
117.06976	4.2
119.08572	68.5
121.06484	11.5
121.10131	18.2
123.07998	2.1
123.11680	15.7
127.07533	7.1
131.08539	7.7
133.10106	29.8
135.08035	22.1
135.11668	15.1
145.10107	22.7
147.11681	39.2
149.09570	2.1
149.13242	10.1
159.11658	9.2
161.13231	10.7
163.11136	3.1
173.13269	1.9
175.14783	3.3
177.12769	8.5
177.16383	3.8
201.16365	14.4
203.17943	38.9
219.17401	26.1
227.43558	1.7
398.83646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17617	0.6
56.96561	13.4
68.20154	0.7
77.67869	0.7
88.20354	0.8
92.64204	0.9
98.97562	100.0
112.09467	0.8
116.98601	88.1
119.01896	3.6
134.98599	1.8
134.99640	48.7
137.02937	1.0
140.00159	1.4
153.00737	6.7
158.01346	1.2
174.97655	1.0
175.97745	1.0
177.00911	3.3
178.00970	1.0
181.03418	1.5
192.98660	1.4
196.99966	0.8
199.04439	9.1
216.98750	1.4
219.02037	7.6
234.99831	5.8
235.99825	1.8
236.99794	1.1
240.98772	3.8
256.96597	6.1
257.96762	0.9
258.99710	36.7
259.99872	1.6
260.99789	4.1
261.02997	11.0
262.03140	1.3
263.03183	1.3
272.94357	1.1
274.94202	0.9
274.97583	5.1
275.97775	4.9
277.00763	88.7
278.01065	3.4
279.00803	6.5
282.99866	1.3
284.99774	11.7
292.98584	0.9
293.98669	1.2
298.97647	1.4
299.97879	1.9
300.02347	1.1
301.00952	5.7
302.01309	3.3
303.00806	27.8
316.98810	2.0
317.98947	6.2
321.01950	1.6
325.26398	0.8
334.18625	1.6
340.98486	1.0
346.94238	0.9
359.99924	4.8
382.96411	0.8
385.77356	0.9
400.97104	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	383.2213
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-farnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
51.40229	0.7
53.03927	4.6
54.81847	0.9
55.01871	1.4
55.05499	8.1
57.07056	1.0
59.04971	0.9
61.54280	0.9
65.03936	1.2
65.35520	0.8
66.62903	0.7
67.05488	13.2
69.03406	5.3
69.07058	6.2
71.04968	1.4
79.05476	32.6
81.07039	100.0
82.07372	5.0
83.04965	4.0
83.08584	1.4
91.05460	22.8
93.07024	38.1
94.07368	1.4
95.04948	7.5
95.08582	16.2
97.06486	4.3
99.53235	0.9
102.99776	0.7
103.05443	17.4
105.07017	27.2
106.07368	3.3
107.08582	20.8
108.08912	1.4
109.06458	6.5
109.10126	10.3
111.04444	4.1
111.08043	3.8
115.05406	1.4
117.07023	5.1
119.08557	21.1
120.08916	1.4
121.06460	3.5
121.10114	7.5
123.08063	4.8
123.11672	1.7
125.09577	1.6
127.07552	0.8
127.10917	0.8
128.06189	1.6
129.06963	3.4
131.04907	38.4
131.08536	8.6
133.10114	16.7
134.10478	1.6
134.88319	0.9
135.08046	3.6
135.11691	5.2
137.09630	13.2
138.52946	1.0
141.06947	9.3
142.07771	4.2
143.08539	6.5
143.75267	0.9
145.06511	1.2
145.10095	8.7
146.07259	1.6
147.08011	3.9
147.11671	4.7
149.09601	3.5
149.13339	1.1
151.11134	1.4
155.08521	6.5
157.10132	6.7
159.11635	6.2
161.09589	8.6
161.13284	1.8
162.09955	3.3
168.09267	2.2
169.10126	1.1
175.11174	1.1
178.07724	1.1
179.10660	6.9
180.11037	5.4
181.10074	1.1
183.11662	18.1
189.16270	1.1
199.14844	2.2
211.11275	1.6
216.54115	1.0
217.15933	1.2
229.12117	1.4
383.21289	4.7
383.25687	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.1
53.03932	4.7
55.01852	7.2
55.05508	10.2
57.07064	1.6
59.24705	1.1
61.20441	0.9
61.31434	1.0
67.05500	12.4
69.07055	16.5
71.04981	1.2
79.05480	21.4
81.07041	31.1
83.04973	1.7
83.08616	5.9
85.06535	1.8
91.05466	24.5
93.07027	100.0
93.86929	1.2
95.04945	11.8
95.08588	23.4
97.06515	13.1
105.07021	23.1
107.08585	36.2
109.06493	1.9
109.10152	19.7
111.08063	21.4
117.06980	2.1
119.08562	16.7
121.10128	24.3
123.11712	1.7
125.09585	2.1
131.08577	5.5
133.10078	8.1
135.08022	2.4
135.11682	29.5
137.09596	1.5
137.13226	1.4
139.07510	15.4
141.28107	1.2
145.10089	12.0
147.11714	7.9
149.09523	1.6
149.13203	2.1
151.07556	1.3
151.11168	1.5
153.09160	4.2
159.11623	8.7
161.13290	12.3
163.14743	2.0
173.13216	1.7
177.16345	7.1
187.14790	2.5
195.13853	11.1
195.80257	1.2
201.16345	2.7
203.17943	4.8
205.15889	1.6
215.17918	1.3
219.17485	5.2
237.18486	1.5
298.54803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03933	7.1
55.01867	8.3
55.05494	11.8
57.07069	1.6
62.80814	0.8
65.03928	1.4
66.85550	0.9
67.05496	15.6
69.07047	16.0
71.04974	1.1
73.56696	0.9
79.05474	39.8
81.07036	69.0
83.04964	1.2
83.08604	5.8
85.06531	18.2
91.05462	31.7
93.07021	100.0
95.04944	12.9
95.08575	20.7
97.06505	1.8
105.04502	1.3
105.07007	43.0
107.08573	21.4
109.06514	7.4
109.10118	19.4
111.08060	28.6
117.06985	5.2
119.08555	47.2
121.06466	6.7
121.10132	12.1
123.08057	1.6
123.11670	8.3
127.07523	3.4
131.08551	6.7
133.10109	22.1
135.08049	6.9
135.11659	10.7
137.09587	1.2
140.94170	1.0
145.10114	13.1
147.10483	0.9
147.11662	29.3
149.09543	1.0
149.13257	5.5
159.11626	7.3
161.13261	10.5
163.11150	1.6
175.14804	3.8
177.12663	4.7
177.16362	1.2
190.43918	0.9
191.17900	4.0
201.16354	8.5
203.17914	42.4
219.17424	10.6
221.79843	1.0
379.79825	1.0
403.40759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01860	3.7
55.05496	3.2
57.07055	1.0
59.04981	0.5
67.05481	3.4
68.17118	0.5
69.07047	5.5
71.04967	1.2
77.44820	0.5
79.05473	16.7
81.07042	7.0
83.08604	5.1
84.47128	0.5
91.05462	10.5
93.07023	100.0
95.04964	3.8
95.08595	14.5
95.77591	0.5
97.06513	12.9
105.07014	4.7
107.08578	43.4
109.06541	2.0
109.10131	6.1
111.08062	10.1
117.07016	0.8
119.08560	3.5
121.06474	9.6
121.10097	2.9
123.11668	3.1
125.09579	0.7
131.08557	0.7
133.10117	3.0
135.08028	10.9
135.11673	77.7
136.11987	0.8
139.07521	98.1
145.10146	0.6
149.13239	5.3
153.09085	23.6
153.12714	0.9
159.11630	0.9
161.09531	0.5
167.14296	2.6
177.12714	3.3
195.13773	85.9
196.14122	0.8
213.14819	10.9
347.25775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.82021	1.0
55.01866	4.2
55.05503	7.9
56.09770	0.9
57.07058	2.2
59.05006	1.0
67.05486	5.2
67.07268	0.9
69.07045	6.6
71.04974	1.8
79.05476	22.4
81.07033	14.6
83.04964	1.8
83.08599	4.5
91.05453	13.7
93.07024	100.0
95.04957	5.6
95.08574	16.4
95.84656	1.1
97.06510	13.7
98.38489	1.0
99.04437	2.5
99.08107	2.2
100.19728	1.0
105.07005	11.5
107.08581	56.9
109.06511	4.5
109.10146	14.8
111.08045	8.1
115.05479	1.3
119.08559	8.1
121.06518	10.6
121.10123	6.0
122.20390	1.2
123.11711	4.5
125.09630	1.0
127.07535	2.7
128.06198	2.5
129.06985	9.3
131.08546	1.8
133.10118	5.3
135.08006	10.2
135.11674	77.7
139.07520	93.4
147.08047	1.3
147.11653	1.5
149.13234	5.7
153.09097	23.0
157.06456	13.9
157.10095	2.1
159.11690	4.5
167.14285	2.5
177.12735	2.6
179.10619	1.4
193.15839	1.2
195.13771	97.5
199.14850	1.3
203.14320	1.4
213.14859	14.0
246.61308	1.0
250.39099	1.0
280.34583	1.1
282.40915	1.1
309.46432	1.2
341.20642	1.3
347.25751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78899	0.2
54.40550	0.2
54.81738	0.2
69.03378	0.2
69.07050	0.4
71.04964	0.4
75.70910	0.2
79.05492	0.3
83.04964	0.3
85.02916	0.5
86.09690	100.0
97.02886	0.3
107.62474	0.2
108.39918	0.3
132.10181	38.8
162.05505	0.5
188.06169	0.2
204.06522	0.5
230.81299	0.2
347.37833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69194	1.0
53.03925	4.8
55.01849	2.1
55.05501	11.9
57.03420	1.2
57.07050	2.5
59.04995	1.3
66.75179	1.1
66.97279	1.0
67.05484	12.5
69.03416	6.8
69.07046	10.9
71.04975	11.1
79.05461	23.5
81.07033	100.0
83.04965	6.1
83.08605	10.9
85.06512	6.2
88.93800	1.1
91.05447	28.0
93.07015	61.9
94.71682	1.2
95.04951	14.4
95.08582	21.0
97.02864	5.3
97.06496	8.7
99.04439	2.0
103.05457	2.8
103.84550	1.1
105.07003	43.6
107.08571	56.1
109.06503	11.1
109.10152	11.6
111.04420	18.0
111.08065	4.7
116.84623	1.3
117.06995	7.1
118.09132	1.4
119.08540	20.6
121.06479	5.7
121.10108	17.8
123.04424	4.7
123.08028	9.5
123.11665	10.9
125.06028	1.3
125.09540	4.1
128.06142	2.6
131.04903	3.1
131.08517	11.2
132.05243	1.3
133.06438	2.0
133.10098	39.9
135.08034	5.1
135.11682	10.5
137.09554	2.0
143.08531	7.3
145.10103	13.5
146.07185	8.7
147.11589	10.1
149.09528	2.5
149.13208	2.5
151.07498	1.9
151.11168	7.3
159.08063	1.3
159.11678	7.8
161.09586	32.2
161.13184	4.7
163.14748	7.9
171.11745	1.7
173.13191	1.8
177.16365	7.1
179.10620	46.9
184.86484	1.2
187.14888	2.5
201.16440	1.3
215.17906	7.0
233.18866	5.1
251.20055	9.9
301.25211	2.8
311.23489	1.7
329.24753	10.9
347.25662	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54737	0.3
55.05522	0.4
57.03414	1.0
59.05000	3.1
61.02911	0.8
62.33414	0.4
67.05489	1.6
69.03420	2.0
69.07047	3.3
71.04976	32.7
71.38151	0.4
79.05473	6.8
79.06798	0.4
81.03351	0.5
81.07041	20.3
83.08610	0.4
85.02888	4.2
85.06526	1.0
87.04422	2.0
91.05443	0.6
93.07012	8.0
95.08591	7.7
96.14588	0.5
97.02869	0.8
97.06533	4.7
97.10175	0.4
104.99171	0.4
105.07003	0.9
107.04932	0.9
107.08585	5.8
109.06566	0.6
111.08082	0.5
114.37072	0.4
115.03899	0.9
121.10122	65.5
123.11693	16.9
125.05968	10.4
125.09590	2.4
127.03803	0.4
137.05942	0.4
139.11157	30.0
143.10724	0.5
149.09624	5.4
152.44156	0.4
153.83463	0.4
157.12190	3.8
164.03171	0.4
167.10637	30.2
185.11699	100.0
186.12016	0.6
202.04993	0.8
203.12788	7.3
256.22449	0.4
304.11548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01846	2.0
55.05502	10.3
56.96531	1.0
57.03418	2.7
59.04987	15.5
60.44103	1.2
61.02907	2.0
63.94343	1.2
67.05477	5.0
69.03412	11.1
69.07059	12.9
71.04613	2.1
71.04976	40.1
79.05480	20.6
81.03419	2.5
81.07037	37.0
83.04954	6.4
83.08611	4.7
85.02895	22.5
87.04459	2.0
87.78647	1.1
90.12302	1.3
91.05462	14.4
93.07023	69.8
95.04952	6.7
95.08596	29.6
97.02879	2.1
97.06495	8.5
99.04412	2.1
105.07014	9.8
107.04937	1.8
107.08578	90.9
109.06502	9.3
109.10126	2.2
111.00798	5.3
111.04452	1.9
111.08066	42.8
111.11757	1.3
113.05964	1.9
119.08572	1.7
121.06496	1.4
121.10123	99.1
123.08047	4.9
123.11702	12.0
123.42811	1.2
125.05986	8.4
125.09629	14.9
127.07530	6.5
131.08543	8.7
139.00237	13.4
139.11159	33.3
148.52942	1.3
149.09610	35.2
153.05322	1.3
157.01320	2.2
167.10652	64.7
171.02837	8.8
185.11696	100.0
203.12756	5.6
397.09540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21568	1.3
55.01863	1.9
55.05503	9.4
56.17987	1.1
57.03423	5.5
59.04977	8.0
61.02913	3.3
67.05486	12.9
67.39162	1.1
68.74825	1.1
69.03419	16.9
69.07054	21.2
70.06570	1.3
71.04974	45.7
71.93745	1.5
73.02879	1.9
79.05473	28.4
81.03385	2.9
81.06604	2.3
81.07040	39.2
82.07385	1.3
83.04957	7.8
85.02884	29.6
85.06507	3.1
87.04453	19.3
91.05480	2.8
93.07020	53.3
93.93703	1.5
95.08582	47.1
97.02856	5.0
97.06511	15.7
98.97567	1.5
99.08072	2.2
101.05989	6.5
105.06998	2.7
107.08582	18.1
109.02849	1.4
109.06509	3.3
109.10150	2.2
111.08044	2.9
113.09621	5.7
115.03911	13.6
121.10117	100.0
123.08029	2.4
123.11670	9.9
125.05956	6.3
125.09599	8.8
127.03896	1.7
127.07551	5.5
129.05452	1.7
131.08539	2.9
135.40317	1.3
139.11163	63.1
143.10789	1.7
145.04979	1.7
149.09555	11.4
157.12207	42.9
167.10635	34.1
185.11690	74.2
203.12759	68.7
233.61450	1.6
292.69504	1.5
292.72891	1.5
390.82535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05493	5.5
57.03418	5.9
59.04975	7.0
61.02906	2.4
65.03929	1.3
65.94508	1.1
67.05481	15.7
69.03411	7.8
69.07043	11.7
71.04972	32.3
79.05475	29.1
81.03413	1.9
81.07034	40.3
83.04955	12.9
83.08585	1.5
84.85717	1.1
85.02885	17.9
85.06519	1.1
91.05441	6.6
93.07023	28.7
95.04922	10.7
95.08585	22.8
97.02847	5.0
97.06503	18.3
97.10152	2.0
99.04427	1.5
105.07002	8.8
107.04950	1.7
107.08569	100.0
109.06493	4.5
109.10130	7.1
111.04430	24.1
111.08033	9.1
111.11707	2.6
119.08541	1.9
120.37883	1.1
121.06506	2.9
121.10114	91.8
123.08042	6.5
123.11669	24.3
125.05948	21.5
125.09607	17.2
127.03847	1.7
131.08560	2.0
135.08020	5.4
135.69267	1.3
137.09636	1.8
139.11156	37.7
141.09055	1.7
143.07011	13.6
149.09583	17.9
153.08058	1.4
153.09076	43.2
167.10629	62.9
171.10106	24.0
185.11688	69.0
188.34132	1.2
203.09167	2.2
203.12727	26.3
260.52832	1.4
339.95355	1.2
346.69034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22366	0.9
53.03946	1.1
55.01875	8.8
55.05508	12.4
57.03420	2.3
61.02922	2.5
67.05482	9.8
69.03413	8.3
69.07055	14.9
71.04980	21.3
72.32202	0.9
73.02890	1.1
78.74669	1.0
79.05053	1.3
79.05479	20.8
81.03373	1.9
81.07053	14.2
83.04950	7.0
83.08615	1.1
85.02897	21.4
85.06532	8.6
87.04452	19.4
91.05463	4.5
92.08698	2.0
93.07026	31.8
95.04939	5.0
95.08572	13.0
97.02866	5.3
97.06519	34.0
99.04440	7.4
101.01260	1.2
105.07016	6.6
107.04291	1.4
107.04947	25.2
107.08584	50.6
109.02833	1.4
109.06497	6.3
109.10143	1.4
111.04463	8.8
111.08053	2.4
113.05991	64.7
115.03897	7.7
119.08583	1.4
121.06483	36.0
121.07317	2.0
121.10118	45.6
123.08054	6.9
125.05981	23.5
125.09608	59.7
127.03918	2.1
127.07508	8.1
131.08546	14.3
135.08028	39.6
137.09592	1.2
139.07530	4.8
139.11151	29.4
143.07025	5.4
149.05942	15.7
149.08516	2.0
149.09616	38.0
153.09096	9.2
167.07010	6.9
167.10646	69.2
185.08153	8.6
185.11702	75.1
203.09094	2.4
203.12758	100.0
210.31485	1.0
271.19315	1.2
323.22629	1.5
409.35995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86789	0.6
53.03941	1.3
55.01863	3.9
55.05490	3.9
57.03429	3.5
58.38923	0.7
59.04958	0.7
61.02892	1.1
67.05477	5.0
68.99788	0.9
69.03419	8.5
69.06757	0.7
69.07062	11.0
71.04962	5.2
73.02902	0.8
76.56074	0.8
79.05467	11.3
81.03387	3.4
81.07034	14.8
83.04955	9.0
85.02895	18.4
85.06522	3.5
85.86892	0.7
87.04436	0.9
91.05461	9.8
93.07022	58.3
95.04945	8.1
95.08577	8.2
97.02882	9.8
97.06517	17.4
98.97572	1.1
99.04432	26.3
103.05445	4.6
104.52419	0.9
105.06998	2.0
107.04937	10.1
107.08582	19.5
109.06494	3.7
111.04421	1.7
111.08080	8.1
113.05990	8.1
115.03930	1.5
119.08521	1.3
121.06480	100.0
121.10118	13.2
123.04389	1.7
123.08041	6.5
125.05967	11.5
125.09612	6.2
127.03884	1.4
127.07543	3.0
131.04863	0.8
131.08496	3.9
139.03871	1.4
139.07507	20.2
139.11148	8.9
143.07001	14.7
149.05959	90.5
149.09579	10.1
167.06999	45.0
167.10663	21.5
185.08069	53.3
185.11659	17.2
186.05081	0.9
203.09109	21.2
203.12778	9.9
236.82314	0.9
243.97194	0.9
285.56284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02317	1.0
51.02654	0.8
54.81091	0.9
55.01873	13.8
55.05503	10.5
55.67728	0.9
57.03428	5.5
60.09175	1.0
61.02887	1.3
66.61394	1.0
67.05489	12.8
69.03403	8.7
69.07059	18.9
71.04983	21.6
73.02935	1.0
79.05472	23.8
81.03408	1.5
81.07034	9.2
83.04971	10.3
85.02888	25.8
85.06526	8.7
87.04462	20.3
91.05458	6.1
93.07027	41.8
95.04948	4.7
95.08594	11.3
97.02891	4.3
97.06509	36.9
99.04441	12.2
101.02378	2.7
105.07053	7.9
107.04932	6.5
107.08575	55.3
109.06513	2.2
109.10155	2.7
111.04420	10.9
113.05990	88.1
115.03916	6.3
119.08522	1.4
121.06490	33.9
121.10123	53.0
123.08038	8.8
125.05980	31.7
125.09605	76.1
127.07581	1.7
131.08540	17.3
135.08044	8.3
135.25227	1.1
137.09592	1.4
139.07541	5.7
139.11159	37.1
143.07056	5.1
149.05966	23.8
149.09607	36.1
150.17030	1.1
167.06956	15.9
167.10652	66.5
176.43140	1.3
185.08141	13.2
185.11700	92.6
203.09116	5.5
203.12761	100.0
226.62341	1.1
230.34807	1.1
278.44168	1.3
310.85217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.23120	0.8
50.38481	0.9
55.01862	1.4
55.05497	2.5
56.96552	1.0
57.03417	1.9
57.07057	5.8
59.04984	5.0
61.02911	4.1
64.33637	1.0
67.05490	4.7
69.03407	6.1
69.07055	7.9
70.02937	2.6
71.04969	2.2
72.04499	18.8
73.02897	5.8
74.02386	1.8
78.50314	1.1
79.05471	3.9
81.03401	3.7
81.07038	4.6
83.04970	2.4
85.02888	15.0
85.06528	9.9
86.09691	1.9
87.08105	1.2
88.15200	1.0
90.05534	100.0
91.05444	2.0
93.07027	6.0
95.04934	11.2
95.08590	1.4
97.02898	4.6
97.06501	1.7
98.02393	14.2
99.04440	1.2
100.03944	2.4
103.07546	6.4
105.06984	4.5
107.08575	5.2
109.06490	1.9
111.04408	3.8
113.05982	4.1
116.03439	14.3
116.98531	1.4
119.08569	1.3
121.06449	1.9
121.10114	6.5
123.08047	1.8
124.07566	18.5
125.05947	2.5
127.03902	1.5
127.07510	2.6
137.09586	1.7
142.08629	10.8
143.06978	1.9
149.09583	5.1
157.12100	1.0
160.09578	1.3
166.08649	2.4
167.10603	7.8
174.11246	1.3
177.00720	1.1
184.09641	19.2
185.08060	1.8
185.11751	2.6
187.04233	1.7
187.09619	1.8
202.10704	32.3
202.12433	2.0
203.12816	1.4
220.11763	93.7
326.80759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.23808	0.7
55.01864	2.0
55.05492	5.1
57.07068	17.9
57.97839	0.9
58.93074	0.9
65.20475	0.9
65.51850	0.9
67.05475	4.3
69.03409	1.1
69.07049	3.7
77.39909	0.8
79.05483	7.9
80.25189	0.9
81.07034	14.4
85.06539	8.3
88.49113	1.0
91.05467	11.7
93.07028	18.9
94.07310	1.1
95.04932	4.9
95.08589	6.1
97.06480	1.2
105.07005	8.5
105.46205	0.9
107.08579	9.7
109.06519	4.0
109.10143	4.8
109.62425	1.0
111.08057	3.8
112.26247	0.9
117.07036	1.1
119.08556	6.0
120.08862	0.9
121.06482	2.2
121.10144	4.7
129.07024	1.3
130.22220	0.9
131.04913	1.9
131.08527	3.8
133.10110	4.9
135.07977	1.1
135.11711	2.2
143.08572	3.9
144.30559	1.0
145.10117	4.0
147.11656	1.4
151.11176	1.2
157.10078	1.6
159.11736	4.4
163.68011	0.9
167.08470	0.9
185.13283	0.9
259.16669	12.0
373.10571	1.1
381.20251	100.0
382.20547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
54.81480	0.9
55.01870	8.5
55.05511	14.9
57.03443	1.0
57.07078	1.2
59.04989	1.9
63.22621	0.9
67.05499	13.4
67.63723	0.8
69.03429	1.8
69.07059	11.2
69.28514	1.1
71.04980	2.3
74.54475	1.0
79.05482	19.0
80.05774	0.9
81.07046	35.7
81.07537	1.3
83.04969	6.6
83.08611	4.8
85.06539	2.4
91.05467	46.8
93.07030	100.0
93.17825	1.0
94.07388	1.7
95.04952	19.1
95.08585	13.9
97.06533	6.1
103.05447	7.9
105.04553	1.8
105.07018	27.2
107.04934	1.5
107.08589	24.0
109.06503	7.6
109.10145	9.9
111.08069	21.7
115.05371	1.4
117.07019	8.9
119.08578	13.7
121.06490	3.8
121.10110	5.3
123.08059	1.7
123.11637	1.1
125.06007	1.2
125.09624	1.2
128.06219	1.1
129.06950	2.3
131.04930	9.6
131.08551	14.2
132.08829	0.9
133.10121	8.8
135.11714	2.1
137.09576	1.9
143.08559	3.9
145.10127	14.7
147.08018	1.2
147.11693	1.8
149.09659	1.5
151.11171	1.3
157.10118	1.9
159.11702	8.0
161.13243	2.4
163.11143	1.7
173.13197	1.5
175.11015	1.2
176.56183	0.8
190.53981	1.1
201.16414	5.1
219.17468	4.5
259.16650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05502	1.2
59.51304	0.9
67.05487	2.2
69.03412	4.1
69.07053	1.8
70.06525	0.8
71.04974	10.8
76.56277	1.4
79.05472	4.6
81.07034	8.0
85.02889	6.2
91.05484	2.3
93.07030	6.2
95.08580	7.8
96.08920	1.2
97.02830	1.3
105.07027	7.3
106.07341	1.1
107.08577	5.1
109.10152	2.5
119.08578	5.8
121.10136	1.9
123.08063	1.7
123.11675	1.7
127.03902	1.0
128.06197	1.0
133.06546	1.0
137.01607	0.9
137.09604	2.2
145.10074	1.8
146.06004	1.1
147.11674	2.1
165.12743	8.2
166.13115	1.8
170.61180	1.2
172.07553	2.0
173.07082	1.8
174.05475	2.0
183.10327	1.4
183.13788	4.3
184.07414	3.3
184.14070	1.2
187.08662	4.2
188.07057	3.7
196.06212	1.1
197.07013	1.2
199.08630	1.3
200.07188	1.5
201.06540	5.4
201.11211	2.0
203.10349	2.2
210.07700	1.3
211.08559	10.9
214.08597	1.2
215.08118	20.5
217.09691	1.8
221.07175	1.4
224.05653	1.4
225.06563	4.4
227.04446	1.6
229.06096	1.7
229.09686	4.8
233.09242	5.5
239.08115	34.6
241.09723	1.8
243.07603	27.8
245.09116	2.4
247.10704	1.9
248.05424	1.8
253.06194	2.4
257.09171	12.9
261.08774	8.7
261.11581	1.1
267.07611	100.0
269.09158	2.1
271.07007	8.1
275.06577	1.0
275.10287	2.3
285.08658	75.6
287.10141	2.2
289.08185	13.1
289.11261	1.7
295.06952	11.0
303.09735	8.3
303.12994	1.5
307.09171	2.0
313.08167	40.6
321.10788	6.2
321.14215	3.6
331.09207	56.7
339.11755	6.7
349.10028	2.0
349.13965	2.3
363.11786	8.7
381.12314	20.7
399.49521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
53.03937	5.6
55.01860	8.6
55.05505	10.6
57.07063	1.3
59.04969	0.5
67.05490	8.1
69.07050	6.5
71.04985	1.3
78.45866	0.6
78.74872	0.5
79.05468	12.1
81.03381	0.7
81.07037	19.3
83.04952	1.2
83.08598	4.1
85.06527	0.7
89.06029	1.3
91.05462	44.6
93.07022	100.0
94.07362	0.7
95.04942	13.7
95.08590	8.6
97.06519	1.0
103.05381	0.9
105.04510	1.4
105.06359	1.2
105.07016	21.8
106.07282	0.6
107.08573	12.8
109.06506	7.7
109.10162	5.6
111.08064	25.3
115.05404	0.8
117.06976	6.5
119.08553	12.9
121.06501	2.5
121.10127	4.6
123.11684	1.5
128.06203	4.2
129.06960	5.1
131.08542	8.8
133.03763	0.6
133.10124	10.3
135.08041	1.4
135.11642	5.7
139.07495	1.1
142.07735	6.9
143.08551	4.7
145.10094	6.4
147.08072	1.2
147.11676	4.0
149.09671	1.1
151.07512	0.8
151.11122	2.6
155.08473	0.7
157.10092	6.2
159.07979	0.8
159.11658	2.8
160.08398	0.8
161.09659	1.4
161.13264	3.5
171.11597	0.8
195.13777	1.1
199.14861	1.5
203.17894	0.7
210.11295	0.7
399.31070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24675	3.9
54.33714	3.9
56.80410	3.8
62.18468	4.1
63.96933	4.5
81.18584	4.2
87.03307	3.9
89.15800	4.8
92.09148	5.3
107.60364	4.3
283.13605	5.3
381.03864	6.4
381.07947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18101	0.4
51.94344	0.4
55.01857	1.4
55.05492	0.9
56.47558	0.6
56.96546	0.6
57.03419	2.6
61.02902	1.2
64.33521	0.6
67.05487	3.1
69.03411	4.7
69.07064	5.5
70.03744	0.5
70.52466	0.6
71.01323	0.6
71.04995	2.1
73.02901	1.4
79.05459	2.8
81.03401	1.4
81.07026	3.3
85.02894	9.3
85.06521	1.1
87.04421	1.1
91.05445	3.6
93.07018	5.9
95.04937	2.4
95.08588	4.8
95.80805	0.5
96.08927	0.6
97.02863	2.4
97.06513	1.0
98.97558	1.2
99.04415	3.6
105.07034	1.3
107.08566	1.3
109.10132	2.8
110.10477	0.9
111.08033	0.8
116.98633	0.7
117.06954	1.1
119.04907	1.3
119.08548	3.9
121.06421	1.4
121.10102	0.6
123.04437	1.3
123.08045	1.1
127.03871	3.1
132.95807	0.7
135.08014	0.7
136.95372	0.6
137.09589	3.6
145.04990	0.7
147.04384	2.9
147.08058	1.0
150.96855	0.6
165.09105	2.8
166.09367	0.9
175.07608	0.7
177.00801	0.8
181.08545	2.3
182.08966	1.1
183.10162	3.7
184.10492	0.9
191.07080	0.8
219.06471	1.2
234.98903	1.2
333.87253	0.5
381.11450	100.0
397.41110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01873	3.8
55.05510	12.0
57.07066	2.0
60.99322	0.8
61.19672	0.8
67.05499	4.7
69.07050	4.9
71.04984	14.4
71.08616	1.0
79.05479	39.5
80.26961	0.8
81.07050	24.3
83.08611	4.9
89.06020	36.9
89.74140	0.9
91.05468	18.9
93.07032	37.7
95.04964	5.1
95.08603	5.8
97.10164	5.1
97.73611	0.8
105.07009	8.8
107.08588	100.0
109.06519	5.1
109.10175	3.8
111.08092	7.6
117.07005	2.0
119.08620	1.7
121.10103	1.4
125.09612	35.5
129.06972	1.1
131.08574	1.0
133.08589	8.0
133.10139	5.9
135.11688	4.4
139.07536	1.8
139.95601	1.0
143.08495	1.2
145.10141	2.2
147.11729	1.4
151.09653	1.7
167.91435	1.2
177.11194	1.5
195.12254	25.0
195.13875	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01855	1.7
55.05504	11.8
57.07049	1.0
59.63228	0.6
62.11430	0.6
65.03936	0.7
67.05489	4.2
69.03400	1.7
69.07046	3.4
71.04976	12.4
73.44271	0.7
79.05476	44.7
81.07039	25.3
83.05015	0.8
83.08596	4.4
89.05978	1.1
89.55465	0.7
91.05463	22.3
92.09252	1.1
93.07024	66.4
94.07311	1.0
95.04946	10.0
95.08564	4.1
96.71160	0.7
97.06499	1.1
97.10127	4.8
104.55346	0.8
105.04493	1.1
105.07008	12.0
107.08578	100.0
109.06516	6.4
109.10137	4.5
111.08047	4.8
119.08543	4.9
121.10089	1.1
125.09608	38.9
126.47818	0.8
127.07523	1.3
131.08501	1.6
133.10109	5.9
135.11653	4.1
145.10132	5.7
151.11192	1.4
159.11670	3.9
201.16342	5.0
219.17358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
53.24617	2.8
54.31522	2.6
55.05500	16.8
67.05492	33.6
69.07063	6.9
75.04456	8.0
76.39057	3.2
79.05467	25.7
80.06239	3.3
80.93368	3.3
81.07052	42.6
83.04991	4.8
91.05475	43.0
91.06015	5.4
93.07024	100.0
93.07568	5.4
95.04960	15.3
95.08569	7.8
97.06546	8.4
98.07294	5.1
99.95966	3.0
103.05416	7.1
105.07027	20.3
107.04905	3.6
107.08561	77.7
109.06515	7.3
109.10138	66.4
116.99100	3.4
119.08556	12.0
123.11672	5.1
135.08006	5.0
135.11688	70.7
151.11198	6.9
154.06245	17.7
163.07533	7.5
165.37488	4.0
169.12331	3.9
195.10121	21.6
224.14568	3.5
239.11880	3.3
263.64871	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	380.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.9
55.01869	5.0
55.05513	21.9
55.58027	2.4
57.07061	2.3
59.05000	14.0
62.36813	2.1
65.03941	2.0
65.30974	2.4
67.05499	30.5
67.45567	2.0
69.07051	5.7
71.05022	3.3
75.04457	3.7
79.05481	40.8
81.03355	2.7
81.07047	50.0
82.31981	2.3
85.14532	2.2
91.05477	68.5
93.07031	100.0
94.07819	3.0
95.04942	38.1
95.08572	14.3
97.06516	4.1
97.10150	2.5
103.05453	4.4
105.04483	4.5
105.07013	21.8
105.35321	2.3
107.04951	23.0
107.08579	61.1
108.09370	5.9
109.06519	10.0
109.10155	30.1
111.08031	2.9
115.05389	3.2
117.82001	2.3
119.04935	6.0
121.06473	3.3
135.08089	5.9
135.11691	24.3
137.09660	3.0
139.03972	2.7
151.52628	2.3
154.06221	29.9
163.07515	23.3
167.07014	27.6
179.07097	3.0
193.08607	4.1
195.10158	31.9
200.03525	2.4
220.92967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.6
53.03916	0.6
55.01854	1.6
55.05503	5.5
57.03415	2.2
57.07062	2.4
57.71433	0.4
59.04987	0.6
67.05494	22.0
69.03411	0.7
69.07053	7.1
71.04977	28.7
71.08616	34.0
72.69200	0.3
76.56508	0.3
79.05470	5.4
80.49909	0.3
81.03375	0.7
81.07043	26.2
83.04944	1.9
83.08596	0.9
85.02884	4.8
85.06530	3.0
85.10155	2.1
89.05998	0.5
91.05470	9.1
93.06483	0.6
93.07021	9.8
95.04959	2.9
95.08595	3.3
95.60415	0.4
97.06511	0.8
97.10112	0.3
99.04446	0.4
99.08076	25.0
103.05459	2.8
105.07014	13.8
105.08076	0.4
107.04923	2.6
107.08573	8.3
109.06480	2.8
109.09386	0.6
109.10143	17.5
111.08039	1.4
113.05964	0.4
113.09669	0.5
119.08543	0.7
123.11689	4.1
125.05957	0.4
125.09606	0.5
127.07597	0.4
131.04881	0.4
131.08510	0.9
133.10120	12.6
135.08058	1.9
135.11649	0.7
139.03926	1.7
141.12726	100.0
145.10097	0.4
145.29861	0.4
151.11168	4.7
154.06224	10.5
158.28456	0.3
163.07533	4.7
165.05443	0.4
169.12207	34.0
180.07794	1.9
195.10123	6.0
363.31998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.5
53.03946	1.7
55.01861	2.6
55.05516	11.4
55.05722	1.3
56.96563	3.1
57.03442	1.8
57.07072	7.8
59.04991	5.4
59.80795	1.2
60.53902	1.2
65.82343	1.2
67.05495	32.9
69.03426	12.4
69.07055	50.8
71.04984	21.1
79.05483	24.8
81.07041	100.0
81.07526	3.4
83.04972	5.8
84.08136	2.0
85.06522	2.3
91.05464	29.2
92.09200	1.8
93.07024	37.1
95.04961	20.0
95.08591	20.9
97.06534	10.8
98.97585	1.6
103.05468	11.1
105.07021	55.9
107.04945	8.4
107.08581	20.1
109.02966	1.5
109.06505	42.8
109.10146	42.8
109.80418	1.4
111.08052	5.4
111.50237	1.5
115.05431	6.2
116.98613	1.5
117.07001	2.3
118.04152	25.3
119.04966	5.3
119.08588	2.3
119.23160	1.5
120.05721	2.1
121.06487	7.5
121.10131	7.1
122.62405	1.6
123.08054	6.5
123.11678	38.2
124.05208	10.6
129.07005	2.0
131.04973	2.6
131.08607	2.1
133.06470	40.7
133.10118	38.8
134.07253	5.2
135.04417	2.6
135.08017	10.0
135.11639	2.5
135.58235	1.6
136.08850	1.8
137.06015	5.0
137.09599	1.8
147.04439	2.6
147.08076	2.7
149.09607	2.2
150.06741	16.0
151.07558	2.4
151.11174	34.9
154.06216	15.1
155.04489	1.4
161.05957	6.6
162.06911	1.7
163.07558	8.7
165.05357	1.6
165.09099	22.7
169.12291	2.7
169.18480	1.7
175.07492	1.8
178.58545	1.5
180.07829	9.5
192.07790	3.5
193.08575	89.6
195.10112	17.5
207.10164	5.7
211.93553	1.5
271.84464	1.5
296.44931	1.5
309.13757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	5.1
53.03922	6.3
53.14141	3.1
53.46417	3.2
54.81179	3.2
55.01868	7.2
55.05509	50.2
56.96570	4.0
57.07063	4.6
59.04986	4.6
67.05505	28.2
69.07060	100.0
71.04976	35.8
73.06551	6.3
79.05481	31.2
81.07049	92.4
82.74998	3.9
83.04968	6.3
83.08622	4.8
85.06528	5.0
91.05467	54.8
93.07030	68.9
94.07407	4.3
95.04952	26.4
95.08582	22.6
97.06516	41.9
103.05464	13.7
105.07024	72.2
107.04945	64.6
107.08607	37.2
109.06512	27.9
109.10146	46.1
111.08117	6.2
115.05446	4.9
117.07010	8.0
117.80802	3.5
118.04152	6.0
119.08575	20.5
121.01696	5.1
121.06501	14.0
121.10100	6.7
123.11697	26.5
129.06987	6.8
131.04970	4.0
131.08549	15.0
133.06456	26.2
133.10120	44.5
135.08020	19.0
135.11664	4.4
137.05988	6.8
145.10130	17.8
147.04356	4.6
147.08012	7.7
147.11646	3.9
149.09625	5.3
150.06769	4.3
151.11189	49.2
157.10101	7.0
159.11694	5.6
163.07558	43.8
165.05414	4.4
165.09137	4.9
167.05832	3.7
167.06976	31.2
169.12192	7.6
175.07460	4.1
180.07790	38.0
188.05658	4.1
192.07745	5.5
193.08586	47.0
195.10153	55.3
207.10187	13.4
306.06784	4.2
339.14755	7.4
380.14499	5.0
381.20392	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	380.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75686	0.9
51.02374	1.4
51.05740	0.8
51.08117	0.8
51.64423	0.8
53.00298	1.3
53.03940	15.5
55.01873	14.0
55.05506	21.8
57.03407	1.8
57.07060	1.7
59.04996	23.0
63.83558	0.9
65.03917	6.4
67.05495	23.6
67.44713	1.1
69.03402	4.0
69.07050	8.3
71.04984	9.5
76.56452	0.9
77.03918	2.3
79.05052	1.8
79.05478	38.3
79.44479	0.9
81.03401	4.4
81.07041	45.9
82.07833	1.5
82.35100	1.0
83.04964	2.1
83.08614	2.0
85.06503	1.3
91.05465	85.6
93.07028	100.0
94.07815	2.2
95.04343	1.1
95.04952	42.5
95.08592	13.7
97.06486	4.5
103.05444	7.2
105.04496	8.7
105.07014	28.9
107.04943	53.5
107.08573	26.4
108.05721	1.1
108.09403	8.8
108.09969	1.0
109.06487	11.2
109.10141	13.2
110.07298	1.3
110.09612	1.1
111.08067	14.3
115.05445	5.9
117.07015	2.5
119.04951	8.2
119.05702	0.8
119.08552	5.4
120.05692	1.3
121.06482	1.9
122.03561	1.2
123.04413	4.7
123.08032	4.6
123.11681	2.6
125.09539	1.0
131.04866	1.5
131.08546	2.2
131.53285	1.1
133.06494	5.8
133.10110	5.4
135.04314	1.2
135.08049	15.2
135.11673	7.1
137.05942	4.8
137.09578	2.3
145.10106	5.6
147.04393	19.6
149.09592	1.2
151.07570	7.4
151.11174	7.2
152.12048	1.4
157.85831	1.1
159.11665	1.2
161.09537	2.1
163.07513	32.8
165.09036	2.0
167.07014	12.1
168.11952	1.1
169.12195	1.8
179.07014	8.9
180.07736	1.6
192.07880	1.5
193.08577	2.2
193.12291	1.1
194.09351	1.9
195.10138	37.4
195.13846	1.6
201.16383	2.2
243.39125	1.1
256.09100	1.2
389.20679	1.3
393.89606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
54.81945	1.2
55.01855	1.7
55.05505	10.1
56.96546	2.2
57.03412	1.6
57.07053	5.2
59.04979	1.7
60.46041	1.4
65.03912	2.8
67.05497	25.8
69.03402	8.9
69.07056	22.0
70.99319	1.2
71.04974	21.0
73.21331	1.4
79.05481	23.4
81.07037	89.0
83.04942	1.9
83.08549	1.4
85.06528	6.2
91.04893	1.7
91.05457	46.5
93.07024	34.8
95.04943	61.0
95.08588	15.7
100.60726	1.3
103.05420	14.7
105.07013	96.2
105.47354	1.4
107.04926	6.6
107.08578	21.8
108.05724	2.0
108.87463	1.4
109.06503	43.8
109.10140	31.0
115.05400	2.4
117.06995	3.0
118.04135	34.3
118.55814	1.4
119.05000	2.2
119.08517	3.0
120.05711	2.7
121.06474	7.0
121.10165	2.0
122.07267	3.3
123.08057	3.1
123.11678	30.7
124.05191	17.1
127.07468	1.6
129.07043	1.9
131.04886	4.8
131.08556	9.4
133.06465	47.6
133.10104	77.2
134.07309	2.9
135.04367	1.8
135.08020	10.9
135.11646	2.6
137.05975	3.4
145.10124	1.9
147.04356	1.7
147.07996	1.8
149.05949	2.4
149.09639	1.6
150.06767	16.5
151.07478	8.9
151.11163	34.9
154.06200	7.3
157.10110	1.5
159.11584	1.8
161.05934	11.9
162.06674	1.8
163.07503	3.1
165.09068	27.4
165.27823	1.5
175.07484	3.3
190.34032	1.4
192.07793	8.3
193.08563	100.0
195.10039	8.0
207.10164	2.9
225.72737	1.3
237.61981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01862	2.3
55.05485	0.9
57.03416	2.6
61.02900	3.0
63.97314	0.5
67.05492	15.2
69.03418	6.6
69.07051	0.6
71.04980	1.2
73.02904	0.7
81.03387	2.0
81.07039	11.5
85.02892	12.1
91.03924	0.7
91.05452	0.8
92.09296	0.6
93.07011	2.6
95.04942	2.6
95.08582	9.1
97.02875	4.4
97.06520	0.9
99.04438	3.7
99.08077	2.1
107.08571	2.2
109.02883	0.5
109.06487	2.0
109.10141	68.9
119.08535	2.9
121.10125	2.5
125.05965	8.5
127.03888	2.1
137.09596	100.0
139.23790	0.5
145.04874	0.8
155.10652	27.2
165.09074	38.3
166.54475	0.5
172.61081	0.5
183.10127	15.4
201.11183	53.1
219.12297	1.2
221.98141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41433	0.8
55.01869	10.2
55.05494	2.6
56.96556	6.8
57.03430	5.0
61.02913	2.3
67.05491	28.7
69.03429	7.9
69.07054	8.7
71.04977	58.0
73.02895	4.9
79.05477	8.0
81.03394	6.8
81.07043	9.7
83.04962	9.1
85.02889	33.9
85.03371	1.9
85.06532	16.4
87.04449	43.8
91.05464	26.6
92.09370	1.2
93.07027	27.2
95.04940	14.6
95.08591	18.7
97.02876	4.4
97.06510	7.1
98.97576	1.6
99.04427	10.3
101.02348	8.0
105.07014	21.5
107.04950	2.2
107.08595	7.0
109.06522	6.1
109.10131	15.9
111.04427	5.6
111.08054	1.7
113.05988	43.2
115.03938	15.1
116.98602	1.3
117.07034	2.5
119.08562	30.1
121.06441	9.4
121.40474	1.1
123.04429	2.4
123.08040	55.5
125.09599	1.2
127.03896	2.0
129.06955	7.6
133.04869	1.3
134.99670	1.5
135.08044	5.3
137.05960	9.1
137.09598	60.7
138.06319	4.6
139.07486	1.6
141.05458	4.3
143.07048	1.5
147.08035	23.8
149.70024	1.3
153.09123	6.2
155.10661	5.9
163.03893	1.8
165.09090	67.5
173.02995	1.2
177.02235	4.4
183.10132	100.0
195.03259	4.5
201.11188	91.8
203.03835	1.1
206.37112	1.1
268.86365	1.1
293.08994	1.8
336.10593	2.2
380.09488	1.3
381.73376	1.4
398.14148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
53.43839	2.1
55.01862	12.0
55.05500	10.0
57.03406	4.1
57.07070	4.2
61.02910	4.3
65.03930	2.4
67.05500	19.1
69.03413	18.2
69.07059	21.5
71.04977	100.0
71.17101	2.3
73.02878	5.7
79.05476	52.3
81.03400	10.3
81.07040	53.4
83.04977	3.3
85.02909	29.3
85.06525	11.1
91.05454	29.6
93.07024	63.9
95.04956	16.8
95.08588	62.0
97.02861	3.1
97.06503	20.8
98.97589	3.0
99.04456	2.6
99.08073	10.6
105.07016	41.8
107.08564	43.2
109.02872	2.6
109.06508	11.4
109.10157	10.8
111.08079	5.3
117.06986	3.9
119.04932	10.1
119.08561	23.9
121.10110	37.1
123.08031	34.5
123.11671	9.0
137.09641	19.4
137.13226	3.8
139.11189	5.8
141.09084	5.5
145.10043	3.6
147.04396	23.5
147.11679	25.6
165.09061	9.4
165.12724	96.8
179.59157	2.5
183.10178	19.4
183.13762	49.3
201.11194	13.7
201.14861	23.0
211.08592	3.8
215.08113	12.5
229.09573	4.2
239.08217	21.9
243.07782	18.5
245.09204	3.1
253.05954	3.0
257.09116	4.5
261.08591	5.2
267.07571	67.3
285.08603	40.9
289.08115	4.3
295.07098	4.3
313.08041	20.4
331.09082	31.5
339.12115	3.6
363.11884	5.1
381.12811	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	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01860	0.8
57.03421	1.4
57.52772	0.8
58.64520	0.7
61.02912	1.1
63.76311	0.8
67.05482	1.0
69.03403	4.9
74.67751	0.8
79.05440	1.9
81.03420	1.3
81.07030	2.0
85.02888	11.5
91.03894	1.0
91.05478	16.3
92.05797	3.4
93.07027	20.8
94.07353	4.5
95.04940	5.4
97.02861	3.7
99.04457	1.5
103.05477	10.3
104.05782	1.7
105.07056	0.9
105.75903	0.9
107.04944	1.3
107.08581	4.9
110.03665	0.8
113.02492	0.8
117.06966	1.4
119.04894	1.7
120.05683	1.6
121.06490	22.1
121.10101	0.8
122.06821	5.1
123.04414	0.9
124.07535	1.2
125.05968	1.6
125.09601	1.8
127.03841	1.7
133.02818	1.0
135.08031	5.5
137.05962	3.8
138.06680	1.4
139.07358	1.6
142.75499	0.9
145.04987	0.9
147.04437	0.9
148.05151	1.6
149.05986	8.6
150.06363	1.7
151.92822	0.9
153.05453	3.7
153.09105	5.8
163.03964	1.0
163.07552	1.5
166.06238	16.2
167.06628	5.2
171.10124	1.5
175.07516	1.3
177.09094	20.3
178.09435	6.6
179.09628	1.3
181.08562	100.0
182.07295	1.4
182.08917	35.7
193.08926	0.9
199.09636	34.5
200.10004	13.6
217.10739	1.3
221.11604	0.9
237.02864	1.0
379.09912	83.5
400.04868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00613	0.6
50.37542	0.6
53.03929	1.2
53.06949	0.6
55.01869	1.2
55.05506	2.9
57.03430	30.3
60.14862	0.6
61.02904	1.6
67.05485	2.9
69.03413	4.3
69.07056	3.2
71.04963	0.9
71.69418	0.8
73.06519	1.4
76.55784	0.8
77.08205	0.7
79.05473	12.2
80.26803	0.6
81.03397	2.7
81.07039	17.6
83.04974	3.9
83.08584	1.3
85.02895	17.6
85.06526	5.5
91.05473	4.9
93.07027	23.2
95.04939	1.4
95.08585	12.1
96.56014	0.6
97.02883	7.3
97.06524	3.7
99.04414	0.8
105.07013	5.5
107.08576	22.1
109.02837	1.1
109.06503	31.9
109.10152	1.2
111.04438	1.2
111.82514	0.7
115.37569	0.7
117.06976	1.0
119.08567	16.6
121.06496	2.9
121.10127	75.2
123.08055	3.5
125.09644	0.9
127.03864	1.8
127.07522	1.8
135.11670	28.7
137.05939	1.1
138.23215	0.7
139.07530	1.3
145.04958	1.4
145.10110	9.1
146.58894	0.8
153.12727	7.0
163.09793	1.5
163.11154	46.2
174.22981	0.7
180.08516	1.4
181.12204	100.0
199.13264	30.8
211.53613	0.7
380.73883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83764	0.2
51.02370	0.3
53.03940	3.3
55.01866	10.3
55.05503	5.8
56.50920	0.2
57.07058	0.3
67.05497	2.3
67.22588	0.3
68.26455	0.2
69.03418	0.5
69.07050	2.0
71.04965	0.3
75.30849	0.2
77.03886	0.6
79.05483	2.8
81.07041	6.5
83.04955	1.1
83.08599	4.3
85.06526	0.6
91.05463	29.7
93.07023	100.0
94.07337	0.6
95.04944	10.1
95.05514	0.4
95.08586	1.2
105.04510	2.8
105.07020	4.4
107.08560	2.0
109.06529	1.0
109.10132	0.3
111.08066	38.8
117.07019	1.3
119.08551	2.8
121.06497	0.6
121.10114	1.0
128.06212	0.4
128.10678	0.4
129.01904	0.3
129.07007	1.2
131.08525	2.5
133.10144	1.1
135.11685	0.4
141.07057	0.3
142.07730	0.5
143.08557	0.6
145.10109	2.4
147.11694	1.2
149.09592	0.4
150.61794	0.3
155.08611	0.4
157.10138	1.0
159.11723	0.6
169.10091	0.5
171.11691	0.4
173.13248	0.5
189.12807	0.3
199.14691	0.3
217.16068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80450	0.8
52.11320	0.9
53.03933	5.5
54.66262	1.0
55.01867	1.8
55.05506	10.3
57.03426	2.6
59.04996	1.1
61.02912	2.3
64.08305	0.8
67.05488	6.6
69.03418	9.7
69.07053	18.9
71.04985	12.4
71.57597	0.8
72.08129	1.5
79.05476	93.6
81.03386	2.1
81.07039	100.0
83.04960	6.6
83.08596	1.5
85.02897	15.2
85.06485	1.0
91.05456	9.7
92.64326	1.3
93.07026	48.5
95.04947	9.6
95.08589	21.1
97.02872	5.6
97.06514	35.9
99.04453	1.3
99.08080	1.3
105.06998	8.8
106.99117	1.0
107.04950	16.3
107.08576	70.3
109.06500	9.5
109.10138	5.4
111.04438	10.9
111.08056	9.4
113.05966	2.0
117.06995	1.8
119.08511	2.4
120.08097	2.2
121.06481	18.4
121.10107	18.6
123.08051	10.2
125.05972	35.9
125.09630	1.3
127.07464	1.1
135.08032	2.1
135.10641	2.4
135.11670	59.7
137.13246	5.0
139.07520	2.1
145.10101	16.1
153.12701	10.0
163.11145	33.8
181.06882	1.6
181.12204	52.7
199.13231	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	378.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
53.81189	0.7
55.01877	0.8
55.05499	3.1
56.29542	0.7
57.03432	1.6
57.07067	1.7
57.86495	0.6
58.02312	0.6
61.02927	1.6
65.56602	0.7
67.05488	1.6
69.03417	16.6
69.07055	16.4
71.04964	3.5
73.06525	1.0
79.05468	10.0
81.03388	1.6
81.07040	38.0
85.02894	17.2
85.06501	5.8
90.86621	0.7
91.05463	3.6
93.07027	22.7
95.08575	4.4
97.02872	5.3
97.06524	5.9
99.04404	0.9
100.47820	0.8
105.07014	13.5
107.08583	91.7
109.02909	1.4
109.06505	27.2
109.10135	3.7
111.08070	1.4
111.11681	4.3
119.08542	3.7
121.06490	0.9
121.10117	19.8
123.08024	5.8
126.00507	0.7
127.03854	1.9
130.07735	1.2
135.11673	49.2
137.09653	6.4
137.13229	1.5
138.34940	0.7
139.11151	22.9
141.91068	0.8
143.08528	0.8
145.04929	1.2
145.10127	21.0
153.12727	4.2
163.11163	76.4
180.08562	1.0
181.12202	100.0
183.88005	1.0
199.13268	79.8
366.78177	1.0
372.76572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38918	0.5
55.05506	1.2
55.14217	0.4
56.96319	0.7
56.96563	11.8
60.34010	0.5
65.45032	0.5
67.05495	2.1
69.03400	0.7
69.07043	1.1
71.95264	0.7
79.05472	2.0
81.07041	5.3
91.05439	4.3
93.07013	4.5
94.07367	0.7
95.04978	0.6
95.08585	4.8
98.97565	100.0
105.07017	11.7
107.08571	3.2
109.10143	4.5
116.98602	80.4
118.04181	1.1
119.08556	9.3
121.10138	2.5
123.11689	2.0
123.53936	0.6
131.08575	0.6
133.06479	2.9
133.10110	4.7
134.99643	40.0
135.08023	1.1
140.00208	1.2
145.10078	1.2
147.11649	6.6
149.09607	10.4
150.06758	1.0
153.00682	6.7
158.01251	0.7
159.11752	1.0
161.13214	1.2
170.70071	0.6
179.37418	0.6
193.08546	5.9
203.17943	7.0
206.13016	0.5
273.09357	0.5
274.86441	0.6
295.15591	1.2
313.16800	0.9
319.15714	13.3
337.16800	46.0
355.17868	32.9
360.18182	0.6
373.19022	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81583	1.1
55.01865	0.9
55.05503	0.9
57.03429	1.7
57.07048	1.5
61.02897	1.0
67.05497	4.6
69.03420	12.4
69.07054	6.7
70.71777	1.0
71.04987	1.5
76.56176	1.1
78.58387	1.0
79.05476	9.1
79.27493	0.8
81.03427	1.5
81.07037	79.7
85.02886	15.7
85.06528	19.8
91.05441	4.6
93.07033	13.0
95.08594	10.0
97.02875	4.0
97.06503	3.7
99.04408	1.0
105.07019	10.0
107.08585	23.2
109.06519	5.2
109.10144	4.0
117.06986	5.8
119.08562	1.6
121.10133	6.3
123.08106	1.2
127.03918	1.3
130.07774	6.4
135.11670	24.0
137.13226	14.9
143.08636	1.3
145.04974	1.7
145.10107	100.0
153.12718	42.0
163.11154	67.2
180.08644	1.1
181.12187	22.4
191.52290	1.3
199.13257	45.6
204.15620	1.1
236.06943	1.0
283.97620	1.1
305.13229	1.0
325.39319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01868	0.2
57.03418	0.3
57.76754	0.1
59.06108	0.4
61.02900	0.4
68.31660	0.2
69.03412	1.0
73.02896	0.2
76.40115	0.2
79.69277	0.1
81.03412	0.7
84.78313	0.2
85.02413	0.3
85.02887	4.0
85.29314	0.1
91.03952	0.2
91.05440	0.2
92.09390	0.2
94.04153	0.4
95.04971	0.2
97.02876	1.4
100.58144	0.1
103.05463	0.6
109.02837	0.2
114.37096	0.2
120.95184	0.2
122.03624	2.2
127.03897	0.3
131.04886	0.9
137.05957	100.0
138.06305	0.4
139.03946	0.3
140.04668	0.7
145.04947	0.3
151.07565	0.3
160.05261	0.2
163.07498	1.8
175.07593	0.8
181.08575	5.7
199.06006	0.7
202.27467	0.2
302.50345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05499	2.3
56.96548	2.0
67.05491	2.5
69.07059	2.8
71.04967	1.3
79.05487	4.8
81.07049	13.2
81.28809	1.2
85.57542	1.0
91.05463	28.0
92.09369	1.2
93.07016	7.0
95.04956	9.2
95.08591	7.8
97.65630	1.0
98.97551	2.2
100.71898	1.4
103.05446	2.4
105.07017	11.2
107.04939	6.1
107.08577	5.6
109.06475	6.1
109.10130	1.6
111.08020	1.2
117.07027	1.8
119.04921	26.7
119.08572	1.8
121.06528	7.7
121.10119	3.7
122.03623	7.2
123.08011	1.9
123.11678	1.4
124.27866	1.1
128.06230	2.4
129.06987	16.6
131.04926	8.2
131.08562	1.7
133.06483	1.8
133.10126	8.0
135.08049	5.5
135.11694	1.6
136.05179	1.6
137.05960	100.0
137.13264	1.3
141.06975	1.2
143.04947	1.1
145.06462	5.3
147.08063	1.1
149.05962	12.6
151.03954	2.3
151.07533	99.7
157.06494	12.3
160.05054	1.6
161.05931	13.2
161.09628	2.6
163.07521	20.8
165.06944	7.7
165.09079	6.8
166.07845	1.2
167.08530	21.1
174.06781	9.3
175.07524	6.9
177.09114	2.1
178.07756	4.5
179.08499	1.1
181.06380	1.7
182.07257	1.8
184.08780	1.7
189.09103	31.2
192.07520	1.1
193.06445	6.3
193.10101	7.2
194.07275	2.0
195.08026	29.0
197.05991	4.6
197.09644	1.3
203.08530	2.4
207.08060	1.7
207.10080	2.5
209.06023	2.0
209.09567	2.4
210.06744	7.8
211.07492	5.1
212.08273	6.4
221.06023	13.8
221.09550	15.9
223.07506	15.0
225.05544	1.5
225.09082	12.1
227.10626	43.1
231.07870	1.5
234.06715	1.5
237.09145	4.7
238.06267	6.1
238.09746	2.2
239.07132	1.9
239.10480	1.2
240.07785	1.9
241.12247	1.3
249.09068	7.8
252.07732	1.8
253.08537	17.3
253.12210	19.5
255.10112	29.7
267.10138	7.5
269.08026	6.3
269.11691	2.0
270.08478	1.5
272.10339	2.2
281.11734	8.3
284.10507	1.9
285.11151	17.7
287.12741	50.3
299.12827	1.9
313.14294	38.8
331.15338	69.6
343.21732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.0
56.96555	30.4
57.07066	2.9
58.07403	1.9
61.90696	1.4
62.99090	1.0
67.05492	11.2
69.07058	11.9
79.05483	8.2
81.07037	24.4
83.04946	1.7
83.08601	2.7
91.05451	12.7
93.07021	17.5
95.04965	2.0
95.08575	17.8
97.06521	1.2
97.10139	1.7
98.97567	100.0
103.05420	1.5
105.07014	50.4
106.07307	1.8
107.04951	9.0
107.08571	17.4
108.08933	1.4
109.06540	2.0
109.10136	15.8
116.98597	92.5
117.06999	2.1
119.08554	70.4
119.09392	2.9
120.08895	2.7
121.06481	5.4
121.10126	13.2
123.08018	1.9
123.11686	7.3
131.08585	5.4
133.10106	16.7
134.99634	59.4
135.08044	1.5
135.11671	5.3
145.10110	6.3
147.11667	18.8
149.09604	1.8
153.00700	8.4
159.11618	1.4
161.13269	6.6
165.12645	1.7
175.06346	1.5
187.14830	1.5
203.17932	17.4
225.11435	1.4
251.13214	2.2
263.42511	1.5
277.14767	3.1
295.12402	1.7
295.15762	6.2
296.16122	2.0
297.13586	2.0
319.15646	19.0
337.10904	16.5
337.16751	57.6
355.17877	44.9
370.98038	1.6
372.36591	1.5
373.19101	1.4
377.26511	1.5
378.32062	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	0.9
55.05491	0.4
57.03432	0.7
57.60783	0.4
61.02897	1.8
67.05507	2.9
67.05796	0.4
67.16082	0.3
69.03425	4.1
69.07046	0.5
71.04974	1.4
73.02890	0.5
74.09724	0.4
79.05479	8.9
81.03397	1.3
81.07052	3.4
83.04977	0.7
85.02890	9.5
85.06541	0.8
89.27733	0.4
91.05453	5.9
93.07030	5.2
95.04959	0.7
95.08582	2.5
97.02855	3.6
97.06499	3.2
105.07005	5.9
107.04941	3.2
107.08579	40.3
109.06506	4.9
109.10143	2.5
109.49128	0.4
111.04432	0.7
115.05432	4.1
117.07006	7.7
119.06082	0.7
119.08582	0.6
120.23834	0.4
121.06438	0.5
121.10130	4.8
123.04408	0.7
123.11677	0.4
125.09640	2.2
127.03854	0.4
131.08551	0.4
133.10123	1.6
135.08032	100.0
135.11671	1.8
137.05951	0.6
145.04955	1.3
145.10110	0.8
153.09088	4.4
155.10675	0.4
163.07516	34.9
163.11153	2.4
164.53502	0.4
171.26012	0.4
181.08557	30.3
181.12126	2.7
199.09673	6.0
199.13351	0.8
208.62976	0.3
216.12239	0.7
256.04483	0.4
274.30093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01846	1.4
57.03410	1.8
61.02894	1.5
69.03411	3.0
71.04951	0.3
73.02896	1.1
79.05466	0.6
81.03391	1.9
85.02888	13.0
87.04433	0.5
91.05457	11.9
92.06248	0.4
93.07016	13.5
95.04946	2.5
97.02861	3.4
97.06510	0.3
99.04433	0.3
103.05437	6.7
105.04430	0.3
105.06996	0.4
107.04930	0.5
107.08553	1.2
108.60793	0.2
109.02865	0.7
109.06471	0.6
109.10159	0.3
111.04421	0.5
116.98425	0.3
117.06958	0.3
119.04907	2.8
120.05684	1.5
120.54192	0.3
121.06474	19.1
123.04379	1.2
123.08055	0.3
124.05080	0.3
125.05954	1.2
127.03879	1.3
131.04922	0.3
131.08493	0.4
133.02843	0.5
133.06459	0.3
135.08017	1.8
137.05931	3.4
138.06731	2.6
139.07498	0.6
145.04895	0.6
147.04382	1.9
148.05217	2.4
149.05939	6.6
151.03857	2.2
151.07553	0.6
153.05414	2.1
163.07539	0.5
166.06212	13.0
167.06981	1.4
179.06963	0.4
181.08553	100.0
184.07210	1.4
191.06970	0.5
194.71423	0.3
199.09622	39.6
211.09653	0.5
219.09996	0.3
223.09645	0.3
325.12842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	4.4
56.96555	0.7
57.03423	0.8
58.06597	1.1
58.97919	0.6
60.05637	57.2
60.05946	1.9
67.05508	0.8
69.00906	6.3
69.03433	0.9
70.06570	4.1
72.08138	0.9
79.05463	1.0
81.07034	1.1
83.06070	1.2
84.04533	1.6
85.02889	3.6
86.03538	100.0
91.05451	2.0
93.07043	0.9
95.08541	1.0
97.02876	0.9
98.97603	0.9
99.05540	1.9
103.22292	0.8
107.08607	1.7
111.05554	11.9
113.07131	5.6
118.06542	1.3
119.04931	1.1
120.04453	7.8
120.08141	1.3
130.06522	1.4
131.07312	1.4
133.05276	1.0
133.10159	0.8
137.05978	1.9
141.06577	13.2
146.09764	1.1
158.06017	3.7
162.05463	7.7
164.07014	11.8
175.08662	4.3
179.10657	3.4
180.11012	1.3
188.06999	1.4
190.08659	4.4
197.11699	1.5
214.04652	1.1
215.05112	1.0
219.11543	1.1
232.10751	13.7
233.09218	1.6
245.09105	2.0
246.12247	1.6
247.43449	1.0
252.95042	0.9
258.08774	3.2
260.10220	19.3
274.11893	1.6
278.11310	64.5
292.12854	53.0
318.10760	50.9
325.26541	0.9
377.08243	0.9
377.16025	3.9
399.16199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01854	2.0
56.77083	0.4
57.03422	2.2
61.02912	3.3
65.03912	0.8
67.05500	1.8
69.03411	5.6
71.04945	0.6
73.02880	1.0
79.05471	0.7
81.03388	3.1
85.02423	0.8
85.02892	15.9
87.04455	0.7
90.93569	0.4
91.03936	0.9
91.05466	0.4
95.04944	20.8
97.02886	5.0
99.04400	0.7
103.05424	1.0
105.04516	1.8
105.07033	0.9
107.04942	4.4
109.02827	1.2
110.03620	0.5
110.04846	0.5
111.04389	0.6
121.02842	1.0
121.06483	1.8
123.04404	15.7
125.02332	4.1
127.03883	1.8
135.08076	0.5
137.05948	0.7
139.03889	0.5
140.04662	100.0
141.05000	0.7
145.04935	2.6
149.06021	0.9
155.07004	34.1
163.07538	1.0
165.40724	0.5
167.03316	2.1
173.08072	4.1
180.08670	3.1
181.04933	11.1
181.08545	6.1
185.55162	0.5
186.86803	0.6
199.05992	41.2
385.64523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10621	0.3
52.37565	0.3
53.03923	0.6
55.01854	2.1
57.03412	0.8
61.02898	1.6
67.05484	0.8
69.03420	4.1
69.09732	0.4
70.06566	0.4
71.04932	0.3
73.02875	0.8
74.09708	0.5
79.05466	2.1
79.89706	0.3
80.54656	0.3
81.03388	2.5
85.02888	13.5
89.51516	0.3
91.05440	3.1
93.07023	3.9
94.04144	0.4
95.04930	2.5
95.08594	0.7
97.02882	4.8
97.06502	0.4
99.04463	0.4
103.05447	4.1
105.07008	1.8
107.04938	3.9
107.08571	0.9
109.02886	0.8
109.06509	0.5
109.10130	0.9
110.03690	0.7
111.04403	0.4
114.36594	0.4
117.06988	0.7
119.04847	0.5
121.06480	18.8
122.03618	2.3
124.07581	0.5
125.06026	0.4
127.03903	0.7
131.04958	1.4
135.08035	3.4
135.11661	2.1
136.12041	0.6
137.05960	20.2
138.03098	2.6
138.05345	0.6
138.06296	8.7
139.03845	0.5
140.04663	2.3
144.08073	0.8
145.04913	1.5
145.06517	0.6
149.05957	36.5
153.05444	100.0
153.12688	0.5
155.06982	0.4
159.98407	0.4
163.07516	2.7
167.07068	0.5
180.08607	0.5
181.04967	7.5
181.06296	0.6
181.06638	0.5
181.08556	24.5
199.09627	43.2
205.08585	0.7
212.08011	0.5
242.08890	0.5
258.08875	0.5
259.09445	0.4
273.10669	1.8
274.11710	0.8
289.10696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21256	0.2
55.01863	0.4
57.03429	0.4
60.54437	0.2
61.02879	0.2
62.77612	0.2
64.32992	0.2
69.03407	0.3
79.05461	0.9
81.07039	0.4
85.02878	0.5
91.05451	3.0
93.07043	0.5
95.04972	0.3
95.08601	0.2
103.05428	0.4
105.07045	0.7
107.04945	1.0
107.08602	0.3
109.06500	0.4
115.05421	1.6
117.07000	5.6
119.04919	1.9
119.08497	0.4
121.06481	1.3
122.03621	1.1
123.08051	1.5
126.51511	0.2
128.06224	3.0
128.24635	0.2
129.07008	0.3
131.04900	0.9
131.08559	0.5
131.58836	0.2
133.06459	1.2
134.07211	0.5
135.08046	1.1
137.05956	12.7
143.08551	3.6
144.05708	0.4
145.06474	2.1
146.07205	0.4
147.04419	2.7
147.08026	1.5
148.04744	1.4
149.05949	0.9
149.09619	0.5
151.07523	6.1
160.05223	0.5
161.05913	0.4
161.09572	0.3
162.05453	0.5
162.06702	4.9
163.03902	0.4
163.07550	1.6
164.99962	0.3
165.09056	0.9
171.08005	2.0
175.07501	6.2
175.11406	0.2
177.09074	100.0
178.09700	2.1
179.06998	0.9
180.07457	0.4
181.06407	0.4
188.08315	0.4
193.08589	0.4
195.10167	1.6
203.10608	1.6
209.11743	0.2
221.11703	3.3
222.12480	2.7
223.20859	0.2
258.08841	0.3
272.10272	1.1
273.11227	0.2
331.26120	0.2
359.11539	3.7
377.08212	1.4
377.12643	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	377.1414
Annotation	Lactacystin
Peak:m/z	Relative Intensity
54.82057	0.7
55.60246	0.4
57.03426	0.5
74.38373	0.4
80.18574	0.4
85.02888	0.7
137.05960	2.5
139.38925	0.5
157.09917	0.5
179.03426	0.5
180.03708	0.8
236.94189	0.4
245.09985	1.8
271.40591	0.5
276.23544	0.5
298.39536	0.5
351.73691	0.5
377.14130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.42717	0.4
55.01864	0.8
55.05500	0.7
56.09172	0.4
57.03428	0.7
59.04987	0.7
60.04498	0.3
61.02906	1.7
61.57843	0.3
69.03394	1.9
71.04958	0.7
73.02907	0.5
74.74477	0.4
79.05458	0.9
81.03381	1.9
81.07037	0.9
81.63946	0.4
83.04985	0.8
85.02422	0.7
85.02896	14.7
91.03942	0.5
91.05466	3.3
91.47110	0.4
93.07018	8.4
95.04943	2.8
95.08593	0.7
97.02887	4.5
99.04427	0.5
101.82255	0.5
105.07016	6.2
107.07869	1.0
107.08580	27.3
108.50385	0.4
109.02859	0.8
109.06488	1.8
109.10120	2.2
119.08569	3.2
121.06461	2.3
123.04391	0.8
123.11707	0.6
125.05943	0.4
126.98212	0.4
127.03886	1.6
133.10106	26.9
135.11674	27.5
137.05939	1.7
137.09592	2.2
145.04927	0.6
151.11127	2.0
161.09598	14.3
168.38960	0.5
172.13310	0.5
179.10637	48.4
197.11703	100.0
206.70735	0.5
247.31065	0.4
359.16907	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	376.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20283	0.4
51.46980	0.4
55.01849	0.5
55.05501	0.8
57.03423	1.2
67.05479	0.7
69.03418	9.1
69.07055	3.8
71.04984	1.0
75.93128	0.4
76.56255	0.4
79.05476	4.3
81.07036	13.0
83.04962	3.5
85.02892	2.7
87.04436	0.6
88.01260	0.6
91.05465	6.7
93.07027	9.0
95.04961	1.0
95.08575	0.8
97.02869	13.8
97.06520	0.9
98.97557	0.5
99.04440	0.7
105.07017	19.9
107.08573	12.0
109.06511	2.4
109.10163	1.1
111.04428	100.0
117.07017	0.5
119.08559	3.4
121.06490	2.8
121.10110	2.3
123.04404	0.7
123.11714	0.7
125.05996	0.9
128.06189	2.4
131.08536	0.9
133.06516	0.7
133.10107	30.3
135.08043	0.7
135.11670	1.1
137.06010	1.0
143.08540	6.3
145.06383	0.7
146.07239	7.8
151.11183	2.6
161.09593	34.0
179.10640	49.6
197.11743	4.4
215.77966	0.5
341.64148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83488	0.5
53.03930	3.8
54.55624	0.5
55.01856	1.2
55.05496	4.6
57.03418	1.5
58.73816	0.5
61.02918	1.4
63.03984	0.6
64.34492	0.6
67.05487	5.6
69.03420	4.7
69.07053	6.6
71.04972	2.7
76.57416	0.6
79.05471	12.7
81.03391	3.8
81.07037	16.5
83.04950	2.2
85.02905	10.1
91.05447	6.6
93.07014	17.1
95.04945	11.4
95.08583	4.2
97.02868	3.2
97.06499	1.4
99.04412	0.7
105.07023	8.3
106.11205	0.6
107.04951	0.7
107.08578	17.9
109.06504	39.4
109.10135	9.3
119.08557	2.7
121.06474	4.4
121.10102	1.5
123.04416	12.8
123.08054	13.6
123.11691	7.8
125.05980	3.5
127.03896	0.7
131.08517	0.8
133.10097	15.1
135.08017	3.9
137.05940	2.5
137.09625	1.4
141.05432	19.0
151.11157	100.0
152.11490	1.1
161.09589	8.3
179.10640	52.8
197.11702	28.5
228.34901	0.7
289.85117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
55.01859	0.4
55.05510	1.9
56.75777	0.3
56.96566	0.6
57.07067	100.0
59.51299	0.3
59.85866	0.3
67.05495	4.5
69.07054	2.2
71.04984	0.8
79.05479	3.2
81.07036	6.4
82.86683	0.3
83.04973	0.4
84.42275	0.4
85.06529	51.7
91.05462	7.8
91.05994	0.5
92.09357	0.7
93.07024	8.9
95.04984	2.1
95.08585	11.0
96.31474	0.4
97.06511	0.6
98.97559	0.8
99.03654	0.3
105.03371	4.5
105.07011	7.5
107.08585	5.6
109.06524	1.6
109.10176	1.7
116.98606	0.5
117.07006	3.1
119.08553	28.9
120.08982	0.4
121.06499	0.4
121.10159	0.8
123.11775	0.5
125.09646	0.7
127.11192	0.5
131.08551	3.8
133.10114	3.1
135.11676	3.0
137.09560	3.2
145.10104	4.5
151.11182	3.9
152.76216	0.4
158.49792	0.4
159.11710	0.9
163.11143	3.0
173.13152	0.4
177.12843	0.5
201.16444	2.4
201.27698	0.4
219.17410	22.3
225.07880	0.3
321.18896	0.5
358.80566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.01857	4.8
57.03419	6.9
61.02921	12.6
67.12495	1.0
67.12902	0.9
69.03413	19.3
71.04979	1.8
73.02898	4.5
75.85831	0.9
79.05475	10.2
81.03407	8.5
85.02890	69.7
87.04439	1.8
91.03934	2.1
91.05468	25.2
97.02876	20.9
99.04442	1.8
101.30873	1.2
105.07015	1.9
107.04931	23.9
109.02865	5.5
115.05412	1.8
117.06992	4.7
119.04914	69.4
121.06471	12.0
125.05954	1.3
127.03875	17.3
131.04851	1.3
131.22842	1.0
133.06441	1.9
135.04396	33.8
135.07986	2.3
137.05957	39.1
138.06328	1.2
145.04900	9.3
147.04388	94.6
149.05959	20.7
151.03874	2.7
151.07539	11.1
152.04225	1.0
161.05925	6.6
162.23174	1.0
163.03944	1.2
164.04538	1.3
165.05409	1.6
167.07013	43.7
167.78325	1.0
169.06584	1.5
177.05400	1.4
179.06993	100.0
191.07036	1.4
197.08037	2.2
198.05544	1.1
227.46085	1.2
261.59039	1.5
311.11182	2.3
328.75204	1.2
364.02280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
54.89767	0.2
55.01857	1.0
55.05499	1.4
57.03415	1.2
61.02919	2.4
64.73389	0.2
69.03416	3.8
70.06651	0.2
71.04974	0.3
73.02898	0.8
81.03399	1.8
81.07008	0.2
85.02891	13.5
87.04440	0.4
91.03925	0.9
91.05463	1.9
92.09283	0.3
94.04171	0.3
95.04909	0.2
97.02866	4.3
99.04417	0.4
105.82663	0.2
107.04928	0.7
109.02861	1.2
110.03673	0.2
119.07825	0.3
119.08575	4.8
122.03593	2.3
123.04372	0.3
124.07595	0.3
124.32113	0.2
125.05960	0.9
127.03905	2.3
129.06914	0.2
133.10153	0.2
135.81915	0.2
136.64012	0.2
137.05956	100.0
138.06306	0.3
138.09140	0.3
145.04930	1.8
147.08028	10.0
150.12776	0.2
153.01791	0.2
153.05362	0.2
162.25108	0.3
179.07115	0.7
179.10635	12.0
180.08659	0.8
197.11745	0.9
214.14409	1.1
252.94211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Platanionoside J
Peak:m/z	Relative Intensity
52.95007	1.2
53.00298	1.4
53.03937	7.7
55.01859	8.6
55.05503	32.2
57.03432	15.9
57.07063	7.7
59.04977	8.0
61.02913	18.9
67.05492	15.3
67.47041	1.3
69.03066	2.6
69.03416	52.0
69.07052	62.5
71.04980	11.2
73.02898	8.9
76.56786	1.6
79.05466	9.0
81.03405	21.6
81.07040	36.4
83.04961	17.3
83.08599	13.5
85.02888	100.0
85.06529	27.0
87.04458	6.8
91.03915	5.6
91.05480	5.3
93.07022	19.4
95.08586	52.6
96.17891	1.3
97.02867	36.2
97.06509	6.4
97.10154	14.5
99.04435	8.8
99.08063	24.2
105.07015	7.2
107.08575	36.3
108.63555	1.3
109.02886	12.9
109.10136	21.0
111.08070	5.8
111.11697	7.3
113.09651	9.9
119.08583	3.0
121.10132	42.0
123.11692	8.4
125.09595	8.0
127.03907	20.9
134.48135	1.5
135.11674	20.8
137.05998	1.7
137.09599	2.8
137.13260	18.2
139.11176	8.3
145.04927	10.4
149.13248	6.1
151.14844	3.5
153.12750	9.1
175.07471	2.9
177.16345	68.9
179.10690	5.7
195.17384	25.0
213.18457	56.9
375.23663	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	375.2375
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
52.54504	1.2
53.03931	3.4
55.01863	9.3
55.05268	2.0
55.05509	36.0
57.03425	8.9
57.07061	9.0
59.04985	3.3
61.02919	17.4
63.87872	1.2
64.33347	1.3
67.05497	15.9
69.03064	2.8
69.03420	47.0
69.07060	63.4
71.04984	8.9
73.02902	8.6
79.05486	9.1
81.03398	17.8
81.07043	36.5
83.04964	9.6
83.08591	11.8
83.57172	1.5
85.02893	100.0
85.06531	22.4
87.04453	10.2
91.03930	3.8
91.05451	2.9
93.07022	21.2
95.04961	2.2
95.08591	52.7
97.02879	36.5
97.06516	6.6
97.10170	13.9
99.04450	7.1
99.08074	29.9
105.07049	7.1
107.04932	2.0
107.08584	30.7
109.02871	9.0
109.10143	21.7
111.08046	3.6
111.11704	8.5
113.09645	9.7
113.28088	2.0
121.10123	42.6
123.11697	9.7
125.09627	9.9
127.03876	20.1
133.10185	1.6
135.11665	15.8
137.09637	2.5
137.13234	18.6
139.11134	3.2
144.51404	1.6
145.04980	9.0
149.13222	3.7
151.07478	2.2
151.14796	6.1
153.12715	13.5
175.07495	3.6
177.09077	2.2
177.16354	70.4
179.10674	3.2
195.17390	32.5
203.10632	1.8
213.18475	54.9
289.72211	1.8
375.23798	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	375.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23801	0.2
53.03918	0.2
55.01858	0.8
55.05499	1.5
57.03406	0.3
57.07067	0.4
61.10685	0.2
65.03917	0.2
67.05494	2.0
69.03066	0.2
69.03412	3.9
69.06709	0.3
69.07054	3.9
71.04958	1.1
78.04689	0.9
79.05473	3.4
80.12027	0.2
81.07036	5.9
83.04946	0.3
83.08585	2.2
85.02886	1.5
85.06529	2.3
91.05457	4.4
93.07016	5.4
95.04925	0.8
95.08578	8.6
97.02849	0.3
97.06474	0.3
97.10155	1.0
99.08066	2.7
103.05441	1.5
104.06242	0.7
105.07012	12.8
106.04129	0.7
107.04938	0.9
107.07858	0.4
107.08575	9.3
108.05717	0.7
109.06467	1.0
109.10134	2.8
111.08074	0.4
111.11638	0.3
115.05424	3.4
116.06207	0.3
117.06986	4.0
118.04169	0.3
119.04921	2.7
119.08529	0.8
121.06472	2.5
121.10114	12.3
123.04400	1.8
123.08041	3.5
123.11662	0.6
124.05174	0.8
125.09602	12.6
128.06198	0.7
131.04869	0.4
131.08485	0.3
132.05698	1.1
133.06465	11.1
134.03592	0.2
134.07243	0.4
135.08011	1.5
135.11693	2.8
136.05215	0.4
137.05920	1.1
137.13239	3.6
143.06013	0.9
143.08528	1.4
145.06456	1.0
147.04353	0.3
149.05957	0.8
149.09576	0.9
149.13231	1.2
151.03874	0.3
151.07520	14.8
152.04642	0.7
160.05173	0.9
161.05952	9.7
162.06718	3.7
163.07491	0.3
167.06998	16.1
171.07957	0.4
175.07503	2.5
177.09074	100.0
177.16342	17.7
177.17915	0.4
178.06204	1.1
178.09380	0.6
193.08568	31.9
195.10127	5.5
195.17398	8.5
203.10651	0.8
213.18462	8.0
221.11684	5.6
265.81357	0.2
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
55.01857	0.5
55.05489	0.7
56.18887	0.3
57.07073	0.4
58.81974	0.2
60.96264	0.3
67.05482	1.3
69.03413	2.1
69.07056	2.5
71.04962	0.5
75.94683	0.3
78.04683	0.4
79.05460	2.7
81.03397	0.3
81.07041	5.3
83.08609	0.7
85.02882	1.4
85.06525	1.9
91.05453	4.4
92.08773	0.4
93.03391	0.3
93.07021	4.3
95.04951	0.6
95.08583	7.8
97.06512	0.3
97.10161	0.5
99.08078	2.1
102.48768	0.3
103.05430	1.4
104.06242	0.4
105.07011	13.5
106.04189	0.4
107.04917	0.4
107.08583	7.6
108.05682	0.4
109.06472	0.5
109.10145	2.2
115.05413	3.4
116.63824	0.3
117.02001	0.3
117.07020	4.4
118.04147	0.5
119.04900	2.2
119.08526	0.6
121.06461	2.1
121.10126	11.1
121.10975	0.6
123.04401	1.4
123.08024	3.1
124.05074	0.4
125.09595	7.0
128.06258	0.6
131.04938	0.7
132.05702	0.6
133.06468	11.0
133.86923	0.3
134.07294	0.5
135.08009	1.6
135.11679	2.8
137.05930	0.4
137.13232	3.4
139.11353	0.3
143.05992	0.7
143.08527	1.8
145.06485	0.7
149.05927	0.6
149.09595	1.3
149.13266	0.5
151.07518	14.2
152.04674	0.5
160.05119	0.7
161.05951	9.6
162.06734	3.9
163.07451	0.4
167.07005	17.5
171.08012	0.5
173.67859	0.3
175.07550	2.8
177.09076	100.0
177.16342	14.0
178.06190	0.5
179.06747	0.3
193.08568	29.4
195.10114	5.7
195.17377	5.4
203.10814	0.5
212.83929	0.3
213.18501	3.3
221.11705	4.6
227.36641	0.3
259.97971	0.4
332.32257	0.3
395.00061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1799
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03944	3.2
53.06209	1.5
55.01871	2.3
55.05506	7.0
56.96552	12.3
59.04992	1.8
62.98229	2.8
65.03911	11.6
67.05492	7.9
69.03428	2.0
69.07056	10.1
74.10420	1.4
77.96911	2.7
78.04715	1.8
78.97731	1.6
79.05473	28.5
81.03398	1.4
81.07039	18.1
83.04972	3.9
85.06551	2.3
91.05457	32.4
93.03370	7.9
93.07031	31.9
94.04155	1.9
95.04951	28.6
95.08579	6.4
97.06500	2.1
100.50883	1.5
103.05440	7.9
105.03322	1.9
105.04490	1.6
105.07008	28.8
107.04285	2.8
107.04952	42.2
107.08572	11.8
109.06516	7.0
109.10143	3.1
109.75927	1.5
111.04420	21.8
115.05459	2.5
117.07014	9.0
119.04931	8.7
119.08566	12.7
120.05689	2.0
121.06488	9.5
121.10121	7.2
122.03636	6.1
123.04390	21.7
124.05201	3.3
125.05971	19.7
128.06200	9.5
129.06979	2.9
131.08546	6.5
133.06468	10.9
133.10120	3.9
135.08038	7.8
135.11604	2.2
137.05959	100.0
140.04649	2.4
142.07764	3.5
143.08553	31.9
145.06453	8.6
145.10132	9.9
147.04416	3.6
147.11603	1.8
149.05980	3.1
149.09624	3.4
151.03915	19.5
151.07527	16.9
153.05450	21.5
154.06204	1.9
155.07022	8.3
157.10085	2.3
158.07251	2.9
159.08055	2.2
159.11630	2.4
162.06720	3.1
163.07489	6.5
165.09033	8.1
166.06226	6.8
167.06996	74.7
171.03351	1.9
171.08012	28.7
173.09615	7.6
177.09171	2.3
179.06955	1.8
181.04996	6.3
181.08582	51.3
183.06519	13.6
188.08240	26.3
189.08957	2.3
191.10699	1.8
192.57838	1.7
195.10083	12.9
201.09148	3.5
203.10628	50.5
219.10178	2.7
221.11682	18.5
223.13176	2.2
229.30360	1.5
251.12735	8.1
311.15442	2.1
315.15506	3.0
357.16992	10.4
375.17392	2.2
375.21469	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	375.18
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03950	1.0
54.81590	0.8
55.01860	2.3
55.05498	1.5
56.96556	1.4
57.03412	1.1
65.03924	5.9
67.05482	4.2
67.95721	0.9
69.03421	1.2
69.07047	5.7
79.05475	12.9
81.07037	6.5
83.04958	1.5
89.25327	0.9
91.05458	17.7
93.03387	6.9
93.07029	8.4
94.04147	1.2
95.04946	19.1
95.08564	1.7
103.05436	5.2
105.04518	1.7
105.07017	19.4
106.04163	1.1
107.04944	40.4
107.08585	2.3
109.06505	2.1
109.10106	1.1
110.03659	1.1
111.04433	11.7
115.05389	1.9
117.06997	4.3
119.04921	7.1
119.08533	1.8
120.05658	1.2
121.06521	9.3
121.10088	1.1
122.03590	9.2
123.04398	20.9
123.08038	1.2
124.05197	6.0
125.05965	12.5
128.06218	4.5
129.06953	3.8
131.04938	1.6
131.08553	1.3
133.06438	7.9
133.10083	1.3
135.08018	8.0
135.11707	1.5
137.05951	100.0
140.04684	5.3
143.08533	21.2
145.06479	6.8
145.10085	5.3
147.04390	2.0
147.08014	1.2
149.05968	2.3
151.03883	35.0
151.04984	2.9
151.07494	13.5
151.21907	1.0
152.04698	1.6
153.05472	13.7
154.06206	1.4
155.07034	6.8
157.06477	1.1
158.07246	4.4
159.03331	1.3
159.07988	3.7
161.09576	1.2
162.06757	1.3
163.07527	8.7
163.11130	1.1
165.09113	9.1
166.06232	2.3
167.06998	81.1
171.07985	14.8
172.08792	1.7
173.09633	5.4
174.06598	1.1
175.07574	1.1
177.09102	1.7
179.07010	1.2
180.07735	1.3
181.04951	11.2
181.08559	33.1
183.06546	8.3
188.08267	18.4
189.56702	1.1
191.10602	4.2
193.00146	1.2
195.10103	16.5
201.09122	5.1
203.10641	37.8
218.61925	1.1
219.10118	5.2
221.11679	23.0
242.65729	1.2
251.12769	18.0
293.11862	1.0
293.17239	1.2
325.14142	1.1
357.16779	4.6
375.17822	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	375.1798
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03937	0.8
54.47453	0.3
57.30218	0.4
67.05496	0.7
69.07052	0.5
79.05489	3.9
81.07029	2.8
91.05460	4.3
92.09382	0.5
93.07024	0.9
94.04153	3.5
95.04945	2.4
95.08603	1.7
103.05453	11.2
104.65217	0.4
105.03344	0.5
105.07005	7.5
107.04948	5.9
107.08599	0.9
109.06559	0.5
109.10125	1.0
115.05425	2.3
117.06991	0.9
119.04902	0.9
119.08597	0.8
121.06460	1.1
121.10176	0.7
122.03625	11.4
123.04405	3.2
124.05185	1.8
128.06178	0.7
129.06975	1.0
131.04907	16.1
133.06483	5.7
135.08052	6.1
137.05956	100.0
138.06328	0.6
141.06938	0.5
143.08516	0.5
147.04379	0.6
147.07991	1.8
151.03870	0.9
151.07495	4.2
152.04678	0.6
159.08003	0.6
161.05951	2.6
163.07518	22.7
167.07002	35.1
171.08046	0.5
173.05930	0.5
173.09700	0.6
174.06747	0.6
175.07518	3.5
177.08981	0.5
181.08505	0.7
187.07440	0.6
189.09158	0.5
193.08621	2.6
195.27277	0.5
219.10115	1.0
233.09573	0.7
242.63184	0.4
293.11572	0.9
323.86758	0.5
325.14365	3.0
357.17029	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	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05492	0.8
56.96548	0.6
65.03918	1.9
67.05491	0.9
69.07045	0.5
78.04702	0.8
79.05464	4.6
81.07043	3.3
83.04970	0.8
85.06553	0.6
88.09000	0.5
91.05460	24.5
93.07056	1.6
94.04166	4.2
95.04941	2.1
95.08612	1.8
103.05456	12.6
105.07012	6.7
106.04163	0.7
107.04931	7.5
107.08573	2.0
109.06492	1.0
109.10149	0.9
111.04487	0.5
115.05405	2.0
117.06944	0.5
119.04920	32.1
121.06535	0.6
121.10130	0.8
122.03641	11.7
123.04472	3.3
124.05191	2.0
128.06209	0.5
129.06941	0.9
131.04910	12.7
131.08556	0.6
133.06477	6.0
133.10104	0.6
135.08041	7.1
135.11592	0.6
137.05956	100.0
143.08464	0.6
145.06551	0.7
147.04391	79.0
147.08005	1.0
149.05988	0.7
151.07523	4.7
152.04694	0.9
153.05508	0.6
159.07957	0.6
160.05220	0.6
161.05984	1.9
163.07513	22.1
167.06999	34.6
175.07495	2.8
177.09134	1.1
178.12209	2.5
179.00108	0.9
184.00534	0.7
187.07544	0.7
189.09079	1.7
193.01653	0.6
193.08537	3.3
197.01176	2.3
197.46754	0.5
198.01810	0.5
203.10661	0.6
211.02805	2.9
219.10103	2.0
223.02757	0.9
224.03596	0.8
229.03844	0.7
233.09686	0.6
233.11768	0.6
237.04424	0.9
241.04001	0.5
255.05408	1.1
256.06287	3.6
268.06232	1.9
274.07169	2.5
281.06726	0.5
286.07263	1.9
325.14322	2.4
340.06332	0.7
341.07205	0.6
343.08588	1.0
355.11417	1.1
356.09219	0.7
357.16891	2.6
370.58414	0.5
373.09531	4.5
374.10321	7.1
386.10162	2.7
389.12695	2.5
392.11505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.40472	0.1
54.06850	0.1
55.01860	1.0
56.96550	0.2
57.03421	0.8
58.21682	0.2
61.02913	0.4
69.03417	3.5
71.04930	0.2
73.02900	0.4
81.03396	4.0
85.02886	5.6
87.00806	2.5
89.03902	0.9
97.02873	2.1
99.04430	0.9
105.01845	1.0
107.04918	0.3
109.02859	2.7
117.01840	0.4
117.03365	2.0
118.03670	0.7
118.41050	0.2
127.03893	100.0
128.04247	0.3
134.76892	0.2
135.04407	1.2
136.04774	0.2
140.04663	0.4
145.02818	5.2
145.04913	1.1
146.03175	2.1
146.99423	0.2
149.05963	0.4
150.06357	0.3
155.07031	0.2
159.02837	1.3
163.03882	3.1
164.04245	0.8
170.50117	0.2
177.05421	6.8
178.05789	4.7
186.02011	0.2
187.05791	0.2
195.06509	2.3
196.06789	1.3
231.05063	0.3
237.02748	0.2
286.54559	0.2
287.04416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32759	0.5
54.43295	0.5
60.05473	0.5
62.63340	0.6
67.98521	0.5
69.07049	1.0
71.04980	0.6
81.03372	0.8
93.07008	1.0
95.08601	0.6
97.02940	0.6
99.04356	0.7
116.95194	0.6
121.06464	0.6
121.10112	0.9
131.08417	0.7
137.05940	1.3
153.01808	0.9
153.05386	0.7
185.04181	1.5
188.09598	0.6
192.93465	0.7
213.07297	100.0
222.93257	0.6
270.02084	0.7
309.11182	1.2
332.64142	0.8
374.18716	1.5
375.12527	37.8
375.18524	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	375.1283
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
51.69499	0.2
53.03944	0.3
55.01850	0.4
55.05497	0.3
57.03416	0.7
61.02901	1.9
63.05533	0.2
67.01841	0.6
67.05486	0.5
67.22229	0.3
68.99769	0.5
69.03418	4.3
69.07044	0.4
71.04979	0.5
73.02888	0.4
79.05460	0.6
81.03390	2.4
81.07030	0.5
85.02426	0.5
85.02892	9.5
87.04439	1.2
91.05460	0.6
93.06991	0.4
95.04942	1.2
95.08581	0.4
97.02882	3.1
97.03384	0.4
99.04430	0.5
107.04925	0.5
109.02841	0.8
109.10133	0.4
119.39161	0.3
123.04411	1.6
127.03891	16.2
137.05942	1.5
139.03806	0.4
145.04907	0.7
149.09555	0.7
151.03876	2.4
153.01808	100.0
163.03886	0.6
165.01814	1.5
169.04938	1.9
171.02864	2.9
175.07611	0.3
177.01782	1.2
177.05479	0.4
177.09068	2.0
178.09450	1.3
183.02788	0.5
191.03365	1.4
193.04965	1.4
195.02844	2.7
195.06494	10.7
207.06369	0.5
213.07547	12.9
213.74954	0.3
219.02856	1.2
219.06520	0.5
231.02754	0.7
237.07565	0.6
253.07227	0.3
273.07697	0.6
279.08374	0.4
375.19833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1284
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
51.81889	1.3
52.57961	1.3
53.03932	2.5
55.01860	2.0
57.03416	2.0
61.02911	14.0
65.03917	3.9
67.05488	1.5
69.03395	5.4
73.02900	2.8
79.05482	16.0
81.03389	2.4
85.02876	15.6
91.05450	7.6
93.03368	3.9
95.04944	3.3
95.08621	2.2
97.02872	2.4
105.03322	1.7
105.06943	1.6
105.63726	1.7
106.14923	1.4
107.04932	39.9
110.03632	22.4
111.04417	18.2
115.05495	1.9
119.04932	3.2
120.04398	3.0
121.06469	14.1
122.03616	11.9
123.04447	2.2
125.05968	64.5
125.06846	3.1
127.03899	68.5
131.04872	3.2
133.02846	13.7
135.04385	31.9
137.05960	74.2
137.06973	4.5
137.73978	1.9
141.05437	3.5
143.01891	2.0
147.04321	2.0
148.69521	1.6
149.05930	28.6
150.03096	15.2
151.03888	100.0
151.05003	8.4
153.05443	12.4
161.02953	2.5
161.05922	24.6
163.03830	12.4
163.07364	1.9
165.05447	42.1
167.07004	18.1
175.07506	8.7
177.05420	19.1
191.07014	2.3
195.06506	18.8
197.01257	1.8
203.06966	15.6
213.07542	64.7
219.48532	1.5
221.05049	3.4
221.07921	5.6
226.08600	2.5
243.11438	6.8
249.69308	1.5
253.08711	2.2
254.89107	1.7
270.24420	1.8
297.11191	1.9
375.16034	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	374.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49377	0.4
54.81626	0.4
55.05494	0.9
56.05017	0.5
56.15405	0.4
56.54754	0.4
56.60683	0.3
57.07064	17.3
58.06575	2.5
60.66501	0.5
63.25480	0.4
67.05480	0.5
68.05012	0.5
69.07052	2.0
70.06577	33.5
71.08614	6.3
72.08129	0.6
79.05453	0.5
81.07034	2.1
84.08107	0.5
84.25027	0.4
85.10161	2.2
86.09671	0.4
88.07614	36.2
93.07010	1.8
95.08521	0.5
102.09164	20.6
105.07015	0.7
107.08563	0.9
119.08571	0.6
119.68431	0.6
128.80330	0.4
131.08545	0.7
132.10178	1.1
146.11659	0.7
150.11232	0.6
268.29871	0.8
268.71402	0.5
292.72974	0.5
297.82904	0.5
312.32553	64.2
313.32806	0.6
333.11301	0.6
356.35236	3.7
374.36218	100.0
375.36639	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61898	0.1
53.03922	0.2
55.01862	0.3
57.03413	0.9
59.26055	0.1
59.56573	0.1
61.02909	1.4
61.50335	0.1
65.23541	0.1
69.03412	2.5
71.04969	0.4
73.02886	0.4
78.52921	0.1
79.05457	0.2
81.03407	1.6
81.07053	0.2
85.02885	9.3
91.03931	0.7
91.05454	0.3
94.04153	0.3
97.02866	2.9
99.04423	0.3
99.08073	0.4
105.07063	0.1
109.02869	0.7
122.03616	2.0
127.03883	1.3
133.10085	0.2
134.10429	0.2
137.05954	100.0
138.06279	1.0
139.21111	0.2
145.04953	1.2
151.98790	0.2
161.07179	0.2
163.64661	0.2
177.05414	0.2
177.09064	0.2
180.08640	0.4
195.10123	3.6
211.08463	0.2
211.16901	0.2
212.12816	0.3
229.88541	0.2
279.15179	0.2
374.18506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.7
53.03945	4.4
55.01866	4.1
55.05509	23.1
56.96560	8.8
57.03427	5.3
57.07071	4.4
59.04991	10.8
65.03915	3.6
67.05495	54.2
69.03425	3.7
69.07052	41.4
71.04980	14.3
75.04472	3.1
79.05480	54.0
81.03415	5.2
81.07039	98.1
83.04971	28.7
83.08597	8.5
85.06544	4.7
90.79279	1.8
91.05460	76.2
92.05795	2.1
93.07024	90.7
95.04946	25.7
95.08588	48.0
97.06524	4.9
97.10159	2.2
98.97569	3.8
99.04459	2.7
103.05453	4.3
105.07014	100.0
107.04945	2.8
107.08579	53.9
109.06516	14.6
109.10141	36.2
111.08084	8.7
115.05427	8.9
116.98608	3.6
117.06999	44.2
119.08568	54.2
121.06483	5.0
121.10128	28.0
123.08052	11.9
128.06183	2.8
129.06950	16.7
130.07762	10.1
131.01788	2.4
131.08540	84.2
133.10110	47.2
133.11057	3.4
134.99640	4.4
135.08078	4.7
135.11613	16.7
137.09583	12.8
142.07745	3.9
143.08549	13.6
144.09355	11.3
145.10114	76.3
147.08040	2.5
147.11676	12.1
149.09615	9.5
149.13290	2.7
151.11223	4.0
157.10107	14.4
159.11668	46.0
161.01303	2.5
161.09627	2.4
161.13261	2.6
163.11145	3.6
165.12700	2.4
171.11638	8.3
173.13223	10.9
175.14720	6.3
201.16380	39.5
219.17401	11.0
374.27551	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	373.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00121	1.0
51.55807	1.1
53.00309	1.2
54.15481	1.1
54.68642	1.0
55.01860	1.6
55.05502	19.9
56.96566	1.3
57.03434	1.4
57.07073	4.9
59.04986	2.9
61.74645	1.1
63.91887	1.1
67.05492	22.0
69.03423	1.7
69.07054	50.8
71.04980	2.5
71.08582	1.2
71.44114	1.1
71.44589	1.1
78.73940	1.0
79.05473	15.3
79.66504	1.3
80.12177	1.1
81.07042	100.0
82.07407	1.2
83.04968	6.2
83.08607	10.3
85.06525	11.1
88.86575	1.1
91.05468	10.6
93.07029	42.7
95.04931	5.2
95.08585	55.3
97.06516	8.5
97.10169	2.6
99.04421	1.8
99.08082	5.0
105.07014	33.2
107.08582	34.3
109.06522	10.8
109.10146	28.6
111.08104	2.9
111.11705	5.3
117.06995	2.2
119.08573	16.8
121.10134	18.4
123.08050	8.9
123.11678	18.1
127.07549	5.6
131.08568	2.6
133.10095	15.8
135.08055	2.1
135.11673	24.9
137.09647	1.5
137.13203	13.6
139.07570	1.3
139.11240	2.8
143.08421	1.7
145.10124	8.8
147.11668	31.4
149.09589	2.2
149.13252	16.0
151.11165	10.0
153.12749	2.4
157.10168	2.1
159.11707	5.4
161.13225	11.3
163.11208	1.6
163.14809	3.0
165.12698	10.6
175.10988	1.4
175.14778	2.1
177.12755	6.0
189.07335	1.4
193.12251	6.1
195.13739	11.0
203.17938	2.2
213.14815	2.8
225.13713	1.3
227.17848	1.6
229.14355	2.6
255.08844	1.4
282.10709	1.3
296.45459	1.2
301.25281	1.7
319.26190	26.3
337.27295	17.8
355.28241	3.2
373.15381	1.6
374.51205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68746	0.4
51.75743	0.5
52.71695	0.4
55.01867	0.8
56.41863	0.4
57.03408	1.0
61.02905	2.5
69.03419	4.8
73.02876	1.1
81.03397	2.3
85.02891	20.3
89.03897	5.5
91.03934	0.6
92.07132	0.5
95.45367	0.5
97.02867	6.3
99.04298	0.5
109.02853	0.6
117.03364	20.6
127.03918	2.1
134.03612	1.0
135.04384	3.0
145.02827	67.4
145.04906	2.8
149.05968	10.8
153.05414	1.0
162.03177	0.6
163.03862	7.4
164.04230	2.3
170.52483	0.5
177.05432	100.0
178.05899	0.6
180.08632	0.8
195.06499	30.1
212.09109	0.5
219.53387	0.6
229.60667	0.5
298.63635	0.6
317.00760	0.5
393.47125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48766	0.4
53.03925	0.9
57.03418	1.0
61.02905	1.7
61.63469	0.4
69.03416	4.4
70.26314	0.4
75.73701	0.4
81.03410	1.0
85.02892	14.5
87.12172	0.4
89.03905	5.4
91.05438	0.4
97.02870	5.0
99.04433	0.6
103.03345	0.4
103.05450	0.5
109.02831	1.0
115.94577	0.4
117.03357	19.9
120.08123	1.4
121.06428	0.6
127.03857	1.9
134.03607	2.6
135.04379	3.5
138.09123	0.8
145.02831	61.8
145.04865	2.4
149.05969	13.2
162.03053	0.5
163.03879	7.0
166.08612	0.6
171.21750	0.4
177.05435	100.0
195.06497	28.8
195.08296	0.7
212.09164	1.0
222.07716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75515	0.8
53.03924	1.6
55.01854	7.2
55.05509	13.7
57.03419	2.3
57.07065	1.4
60.26453	0.9
60.50385	0.9
61.02906	4.7
65.03913	1.3
66.57748	1.0
67.05499	14.6
69.03412	10.3
69.07056	10.7
71.04972	4.6
71.97319	0.9
73.02874	1.2
79.05479	10.7
81.03396	8.2
81.07043	16.6
83.04970	14.2
83.08601	2.6
85.02880	17.8
85.06541	9.7
91.05457	15.8
92.09302	1.3
93.07026	30.4
95.04942	41.5
95.08582	20.9
97.02862	7.4
97.06519	1.2
99.04449	6.1
99.08073	58.4
100.07587	4.7
100.11253	4.4
101.05968	1.2
101.11559	1.0
103.05459	1.9
105.07005	16.1
107.04939	4.4
107.08572	26.9
109.02860	1.5
109.06471	8.1
109.10146	33.3
111.04428	5.2
111.08025	1.2
113.09644	1.7
115.05394	2.5
117.07000	6.3
119.04940	2.1
119.08567	32.1
121.06483	2.5
121.10101	11.8
123.08015	2.3
123.11678	5.0
127.03866	1.6
129.07034	1.5
131.08539	5.2
133.06503	2.3
133.10107	82.7
135.08060	10.1
135.11676	18.1
137.05956	45.2
137.06749	1.1
137.09595	37.3
145.10127	4.0
147.07986	2.2
147.11642	4.6
149.02287	13.8
149.09549	2.2
149.13271	7.6
151.03850	4.3
153.09074	2.0
155.08478	1.2
155.10652	8.6
157.10062	1.1
159.08069	2.0
159.11685	1.9
161.05876	1.6
161.09566	1.8
163.07533	1.9
163.14816	4.4
173.13203	1.5
175.14784	24.4
179.03365	100.0
182.15381	6.9
183.15720	5.9
193.15851	34.1
195.10133	1.3
199.11134	1.3
210.14934	6.2
211.15140	2.9
211.16911	31.2
263.12561	3.8
299.14850	6.2
317.15863	4.1
337.20135	1.2
338.21396	2.1
355.24161	1.3
373.18341	9.0
373.22214	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	373.222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05506	8.7
57.07062	2.6
59.04993	1.7
67.05487	20.4
69.03419	7.9
69.07063	14.2
69.25745	1.3
71.04991	2.0
81.07036	16.9
83.04964	13.0
83.08609	6.4
85.02893	3.1
85.06499	1.2
85.51901	1.3
91.05453	1.9
93.07012	10.9
95.04945	2.2
95.08582	35.8
97.10186	1.8
105.07006	2.9
107.08572	22.3
109.06498	10.6
109.10143	100.0
114.79050	1.2
119.08559	22.2
121.10125	9.1
123.08064	13.1
123.11682	8.2
133.10120	18.6
135.11667	70.6
137.09595	19.5
139.11165	2.9
149.13297	1.9
151.11172	7.3
151.14754	11.1
165.16341	1.6
175.14778	24.1
193.15868	26.1
211.16908	49.0
211.18800	2.1
213.28223	1.4
227.21120	1.3
256.13028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01887	3.1
55.05510	23.3
56.96560	4.4
57.07066	10.0
64.22983	2.0
65.20884	1.9
67.05500	26.6
69.03403	4.2
69.07056	52.0
71.04988	9.3
79.05492	22.8
81.07043	100.0
83.04964	4.3
83.08609	23.2
85.06527	15.8
91.05470	19.4
92.08753	2.4
92.09304	2.9
93.07030	51.5
95.04947	11.9
95.08587	56.3
97.06513	10.9
97.10142	3.5
99.04432	14.6
105.07005	43.6
107.08588	51.9
109.06499	16.1
109.10140	42.5
111.08037	4.3
117.06970	3.3
119.08583	23.9
121.06543	2.5
121.10135	32.4
123.08070	11.6
123.11691	23.0
125.09614	3.4
126.19251	2.3
127.07552	4.3
129.06964	2.8
131.08577	9.5
133.10107	24.9
135.08034	3.7
135.11661	32.0
137.13295	4.4
142.07829	2.9
143.08583	3.9
145.10146	10.2
145.79611	2.3
147.11688	34.4
149.09624	3.1
149.13266	9.5
151.11182	40.7
157.10117	3.3
159.08174	2.4
159.11711	9.3
161.13261	2.7
163.11176	2.7
165.12730	8.8
166.39438	2.5
171.11690	2.3
175.14833	2.8
177.12738	4.5
181.12093	3.6
193.12350	3.7
195.13834	2.8
207.13831	2.6
225.05861	2.6
301.25192	3.7
319.26263	32.0
337.27341	37.7
339.15625	2.5
373.19724	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	372.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.82150	0.6
55.01865	1.2
55.05510	10.7
56.50721	0.5
56.96556	3.0
57.07068	3.4
59.05003	1.0
61.02914	1.3
67.05492	9.3
69.07057	3.4
71.04971	6.4
79.05487	7.2
81.07042	30.0
82.07384	0.6
83.04987	1.4
83.08610	21.4
85.06531	1.1
88.48553	0.5
91.05466	13.6
93.07027	35.8
95.04958	8.9
95.08591	8.2
95.17159	0.6
97.06532	2.3
98.97575	5.5
105.04543	0.6
105.07011	10.7
107.08584	97.5
109.06515	4.9
109.10146	14.0
111.08064	6.7
116.98653	5.6
117.07016	1.1
119.08573	3.3
121.10111	1.4
123.08073	2.6
123.11687	100.0
124.12080	0.7
125.09622	0.6
129.06969	0.8
131.04887	1.1
131.08548	1.4
133.10110	12.1
134.99652	1.5
135.08073	1.1
135.11694	3.8
137.09621	1.0
145.10149	2.4
147.11761	0.9
151.11169	16.1
157.10037	0.7
159.08012	0.8
159.11681	1.2
169.08701	0.8
169.12209	34.2
289.10980	1.0
331.12064	1.4
349.13269	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57165	0.9
53.03912	1.3
55.01858	5.1
55.05501	16.1
57.03414	5.0
57.07081	1.0
58.59062	0.9
59.04994	1.3
61.02900	5.3
63.60493	1.0
64.10343	0.8
67.05495	15.1
69.03421	8.2
69.07048	9.3
71.04955	2.2
73.02911	4.2
73.24934	1.0
79.05482	9.9
81.03391	9.0
81.07027	16.5
83.04962	14.2
83.08590	5.6
85.02883	20.3
85.06528	7.2
90.10088	1.3
91.05450	14.1
93.07018	30.3
95.04948	40.7
95.08582	23.8
97.02887	9.1
97.06510	2.0
99.04415	7.0
99.08070	65.2
99.94643	1.0
100.07565	2.1
100.11219	5.0
103.05430	1.2
105.07005	16.3
107.04926	5.4
107.08568	25.4
109.02849	1.5
109.06527	7.4
109.10137	34.4
111.04402	4.0
111.08015	1.5
113.09593	2.0
115.03854	1.0
117.06985	5.3
119.04884	1.8
119.08563	33.5
121.02838	1.4
121.06489	2.3
121.10130	11.4
123.08024	2.1
123.11694	2.4
125.09594	1.9
127.07549	1.1
128.07069	1.5
131.04863	1.6
131.08545	4.5
133.06467	6.8
133.10106	91.3
135.04430	1.8
135.08054	8.3
135.11650	17.5
137.05957	47.3
137.09579	36.2
137.10559	1.6
145.04979	1.5
145.06392	2.3
145.10115	5.3
147.08008	1.4
147.11658	5.1
149.02283	13.7
149.05905	3.9
149.13214	8.0
151.03854	5.8
151.11163	1.9
153.09067	4.0
155.10660	7.8
157.10059	1.9
159.11714	1.9
161.05983	1.7
161.09595	1.7
163.14801	2.6
173.13171	1.5
175.14783	19.7
179.03363	100.0
181.16060	1.2
182.15356	6.3
183.15756	5.3
193.12154	1.2
193.15854	35.7
210.14865	4.9
211.15102	3.1
211.16891	31.7
214.60226	1.3
222.92075	1.2
247.16869	1.2
263.72751	1.5
281.13760	1.5
288.70996	1.0
299.14749	6.1
317.15717	4.3
337.20123	1.8
341.84430	1.2
356.22757	1.6
373.18167	10.2
373.22272	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	372.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92730	0.6
53.03937	1.2
55.01869	9.5
55.05523	1.0
57.03431	18.6
59.04979	1.8
60.04510	0.9
61.02915	13.1
63.07807	0.7
67.05506	1.3
69.03420	37.6
71.01340	3.8
71.04974	3.8
71.86265	0.7
72.04494	0.9
72.08135	4.5
73.02495	0.9
73.02901	21.4
78.15157	0.8
78.51134	0.7
81.03400	12.1
81.07000	0.7
83.04962	5.5
84.04499	10.4
85.02893	100.0
85.06525	3.7
87.04459	10.5
91.03939	4.9
93.46892	0.7
95.04933	5.3
97.02874	43.0
98.97565	0.7
99.04440	8.0
101.02355	1.3
102.05537	3.3
103.03916	1.9
109.02868	12.6
111.04430	9.7
115.03915	13.1
118.08679	1.5
119.01815	0.8
121.02856	1.4
123.04431	1.6
127.03904	26.3
129.05447	9.2
130.04984	1.5
133.04939	11.8
139.03920	4.0
141.05537	1.1
145.04941	35.9
147.06485	6.2
148.06049	4.9
150.07640	1.1
151.04007	0.9
157.04977	4.7
159.06531	4.3
163.03899	1.0
163.05977	15.7
175.06071	0.8
193.07040	9.6
205.37585	0.9
223.08308	2.9
223.11742	4.5
241.07175	1.5
333.07300	0.8
341.49741	0.7
387.48627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01878	2.3
57.03139	1.3
57.03426	38.6
59.04974	0.8
61.02919	13.3
68.99791	0.7
69.03415	46.0
69.18153	0.6
71.01342	4.3
71.04980	3.0
73.02898	62.5
73.63820	0.8
81.03391	8.2
81.44805	0.7
85.02886	100.0
87.04464	9.4
89.03899	0.9
91.03936	4.7
92.28796	0.7
95.04947	1.0
97.02866	48.8
99.04431	5.0
103.03925	1.1
109.02870	7.3
115.03908	22.9
127.03900	20.5
132.06503	0.8
133.04956	11.1
135.04353	3.1
144.74974	0.8
145.03073	1.0
145.04935	32.8
150.07626	1.8
163.03894	9.3
163.05981	18.5
175.34920	0.7
193.05022	0.9
207.75911	0.8
221.05626	3.4
223.05994	1.3
223.11729	7.3
241.07051	1.8
259.08133	3.2
295.10168	4.1
307.62582	1.0
318.32266	0.8
355.11035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35361	0.1
52.47435	0.1
53.03916	0.2
53.75058	0.1
55.05497	0.6
55.46700	0.1
58.30275	0.1
63.05537	0.1
67.05482	0.3
69.03395	0.3
69.07049	0.3
73.32072	0.1
79.05483	1.2
83.04954	0.7
84.06450	0.2
85.02876	0.9
89.03894	4.8
91.05457	0.6
92.09308	0.2
93.07015	0.8
95.04945	2.6
96.05260	0.6
99.04418	0.2
100.07583	0.3
100.11222	0.3
107.04935	2.5
107.08566	0.7
111.04421	1.3
117.03356	10.1
121.10119	2.1
122.10439	0.3
129.05486	0.3
133.02748	0.2
133.10121	0.2
135.04393	22.9
136.12016	0.1
140.07091	0.2
145.02824	17.6
146.05980	0.9
147.06308	0.3
153.09100	0.2
161.02383	0.2
163.03871	100.0
179.03545	0.2
180.03836	0.2
182.15353	0.8
183.15811	0.2
193.07063	0.7
209.15199	0.2
210.14961	0.6
212.38951	0.2
223.70648	0.2
295.98657	0.2
330.93845	0.2
337.21185	0.2
355.09998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.35966	0.5
55.01865	9.4
57.03173	0.9
57.03429	15.2
59.04991	2.3
61.02920	13.1
63.82711	0.6
69.03415	24.3
71.01340	2.4
71.04976	2.6
73.02900	18.2
73.88519	0.6
81.03416	5.5
85.02893	100.0
87.04443	2.8
91.03944	5.5
97.02876	29.5
99.04425	3.1
101.02386	0.7
103.03915	2.6
109.02888	8.2
115.03914	8.7
127.03899	19.3
127.55670	0.6
132.06540	1.2
133.04942	10.4
145.04941	35.4
163.05991	18.7
163.21829	0.7
223.11697	5.2
241.06946	0.6
259.08133	1.1
302.50107	0.7
397.23901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03939	1.8
55.01863	5.9
55.05505	1.9
56.96553	3.9
57.03428	3.2
57.07070	1.1
60.57394	0.7
61.02914	4.0
61.35711	0.7
67.05486	4.5
69.03417	9.9
69.07056	15.8
71.04965	4.1
73.02899	1.2
79.05482	6.5
81.03394	3.8
81.07030	8.7
83.04964	3.4
83.08608	1.5
85.02426	1.0
85.02898	19.1
91.05460	8.7
93.07025	27.2
95.04929	4.1
95.08600	6.1
97.02866	6.4
97.06506	3.0
98.97538	2.0
99.04417	1.7
105.07015	11.6
107.04913	0.7
107.08584	20.4
108.13055	0.8
109.02900	1.1
109.06512	4.5
109.10149	6.0
111.08061	1.2
111.57656	0.9
116.98586	1.6
117.07030	2.0
119.08552	11.5
121.06487	16.2
121.10129	15.9
122.07156	0.8
123.08055	5.3
123.11700	0.9
127.03942	1.8
129.06949	1.7
131.08548	12.9
133.10123	18.3
135.08026	12.3
135.11662	4.7
137.05943	1.7
137.09595	5.1
143.08556	1.3
145.10106	6.3
147.08063	1.0
147.11670	45.7
149.08487	1.0
149.09615	11.6
149.13243	15.1
151.11220	1.5
158.10883	1.8
161.09604	4.9
161.13243	1.3
163.11176	1.4
163.14822	4.5
173.13235	16.5
177.00688	1.1
191.14284	100.0
209.15369	24.6
311.15497	1.2
315.37619	0.8
371.17181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
53.38876	0.4
55.01864	0.6
55.05490	3.3
57.07050	0.6
62.84289	0.5
67.05486	5.9
69.03397	0.8
69.07060	4.9
71.04980	2.5
79.05472	9.1
81.07047	10.6
83.04961	1.0
83.08592	0.8
85.06506	0.5
91.05461	16.8
93.07030	15.8
94.07320	0.6
95.04936	3.7
95.08584	7.3
100.83647	0.4
103.05452	40.6
105.07011	17.9
107.08583	12.1
108.08900	1.2
109.06486	2.0
109.10162	4.3
117.07001	4.1
119.08569	13.4
119.40283	0.5
121.06415	0.6
121.10137	4.1
123.08022	0.8
123.11691	0.9
129.06984	2.6
130.07765	1.1
131.04907	100.0
131.08545	10.5
133.10123	7.3
134.10544	0.8
135.08067	0.9
135.11676	4.2
137.09598	0.6
142.07773	0.7
143.08542	3.2
145.10107	14.9
147.08037	1.0
147.11647	2.4
149.09641	2.1
149.13239	0.8
151.11217	1.0
152.10667	0.9
157.10143	2.2
159.11670	7.9
161.13274	3.5
163.11157	0.6
163.14761	1.0
171.11674	1.0
173.13269	1.7
175.11160	0.6
177.12825	0.7
187.14778	3.2
191.32939	0.5
199.14841	0.7
201.16351	18.9
203.17952	0.7
205.15874	5.6
226.97946	0.5
228.20872	0.5
264.14209	0.7
314.15942	0.5
353.21021	6.0
371.21570	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25372	0.4
55.01855	0.7
55.05496	2.2
57.03423	0.9
61.02909	1.8
64.12727	0.4
64.32917	0.5
65.03922	0.5
67.05494	1.1
69.03410	5.2
71.04975	5.3
75.54711	0.4
79.05462	0.8
81.03396	2.9
81.07032	2.7
83.04970	2.5
83.08618	0.8
85.02888	11.9
86.09686	0.5
87.27155	0.5
91.05461	3.1
93.07008	3.2
95.04945	100.0
95.08592	1.0
97.02876	3.3
99.04434	15.3
105.07015	2.4
107.08582	3.3
109.02870	0.8
109.06479	1.1
109.10139	2.1
111.08071	1.0
111.65607	0.5
111.85431	0.5
119.08572	0.8
121.10184	0.8
127.03933	1.1
131.08522	0.8
133.10097	4.6
135.08035	0.9
137.09586	0.6
145.10100	0.5
149.13249	1.2
153.09082	17.2
158.10884	0.5
173.13255	2.9
182.15402	0.5
191.14304	2.0
209.04454	2.3
209.15320	15.9
351.86630	0.5
351.91522	0.5
371.16663	9.8
371.20789	0.7
389.69281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11674	0.3
55.01856	0.7
55.05505	0.6
57.03419	1.4
59.05024	0.3
61.02906	1.4
65.03922	0.4
66.07022	0.3
67.05490	1.5
69.03414	4.1
69.07008	0.3
71.04967	4.7
73.02912	0.5
81.03401	1.6
81.07034	0.8
83.04955	0.6
85.02889	9.1
85.06536	0.7
91.05492	0.4
93.07024	2.2
95.04943	100.0
95.08559	0.7
97.00504	0.4
97.02338	0.3
97.02866	3.4
99.04430	13.7
105.07015	1.5
107.08588	0.8
109.02856	0.4
109.06510	0.5
109.10143	0.6
109.46213	0.4
111.08094	1.3
116.23370	0.3
121.10094	0.5
127.03901	0.7
131.08563	0.5
133.10110	4.2
133.11037	0.5
135.08005	0.7
137.09590	0.8
145.04970	0.4
147.34903	0.4
149.13358	0.4
151.11198	0.5
153.09077	18.3
161.02910	0.5
163.40422	0.4
165.31329	0.4
168.74808	0.4
173.13229	2.0
191.14331	1.4
193.15958	0.6
209.15326	15.1
235.27025	0.3
371.16660	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	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.94984	0.4
53.03930	2.9
55.01855	2.0
55.05500	1.1
57.03426	5.1
57.07067	0.8
58.97200	0.4
59.04983	0.9
61.02918	8.6
67.05503	3.8
69.03419	23.5
69.07060	3.5
71.04977	3.6
73.02922	3.0
73.03263	0.4
79.05466	2.3
81.03408	14.0
81.07044	6.5
83.04969	4.7
83.08597	0.9
85.02895	54.9
87.04453	2.8
91.03931	0.9
91.05462	2.5
92.08974	0.9
93.07005	2.7
95.04955	6.2
95.08604	7.7
97.02873	16.8
97.06513	0.6
99.04443	4.0
105.07002	4.9
107.08584	11.6
109.02862	4.4
109.06498	10.3
109.10126	4.6
111.08099	0.4
117.06998	0.6
119.08562	3.9
121.06480	0.6
121.10133	15.1
122.07263	2.2
123.08051	8.3
123.11697	5.5
125.09694	0.7
125.95824	0.4
127.03902	9.3
131.08531	1.1
133.10103	4.2
135.08052	2.4
135.11743	0.9
137.09601	9.5
137.13260	0.7
145.04951	8.2
145.10075	1.7
147.11652	3.3
149.08514	0.7
149.09608	10.2
149.13240	7.8
151.11176	44.1
158.10901	0.8
163.14812	0.5
165.12727	70.8
173.13194	1.0
191.14297	7.2
193.15784	4.1
209.15347	100.0
210.15813	0.7
291.51251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.2
55.97902	1.4
57.03446	1.7
61.02911	2.1
62.45427	1.2
62.69334	1.4
67.05501	3.5
69.03423	12.0
69.07056	6.9
71.04977	9.9
73.02897	2.2
79.05473	6.6
81.03411	3.0
81.07027	13.3
83.04969	13.7
83.08599	5.7
85.02887	18.1
91.05448	7.5
93.07024	9.2
95.04946	49.0
95.08583	20.2
97.02854	2.2
97.06524	2.9
99.04453	10.4
99.08073	2.7
105.06989	7.4
107.08578	39.2
109.06489	10.6
109.10139	14.8
111.08057	1.7
113.09621	1.5
119.08576	3.1
121.06464	3.1
121.10126	44.9
122.07298	1.9
123.08069	6.5
123.11726	1.9
125.09598	10.8
126.08976	1.3
127.03929	1.5
131.08537	8.5
133.10109	18.5
135.08014	12.6
135.11676	6.8
137.09616	8.8
137.26726	1.4
139.11179	2.8
143.45776	1.4
144.95552	1.4
145.89009	1.3
147.11710	6.8
149.09604	14.6
149.13229	22.2
151.11163	100.0
153.09055	10.4
158.10867	2.8
163.14828	9.7
165.12741	9.6
173.13194	17.2
191.14278	67.6
201.59494	1.3
209.15350	56.1
306.48026	1.5
331.52396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76659	0.1
53.03944	0.2
55.01849	0.1
55.05502	2.5
57.03407	0.2
57.07069	0.4
61.02911	0.2
65.03929	0.2
67.05492	2.7
69.03410	5.2
69.07050	2.1
71.04984	0.3
77.03918	0.2
77.98039	0.2
79.05479	3.7
81.03386	0.2
81.07039	8.2
83.04974	0.7
83.08603	1.0
84.37039	0.2
84.76591	0.2
85.02893	1.4
91.05467	5.5
93.07026	3.3
95.04962	1.0
95.08588	2.1
97.02853	0.3
97.06487	0.2
105.06293	0.2
105.07012	6.8
107.04945	1.7
107.08576	18.6
109.06503	6.2
109.10144	7.6
111.08041	0.2
112.04543	0.2
115.05445	2.1
117.06999	2.9
118.07762	0.2
119.06009	0.2
119.08572	3.3
121.06505	0.8
121.10126	11.9
121.61328	0.2
122.07269	6.8
123.08054	1.1
131.08539	2.2
133.10110	100.0
134.10391	0.3
135.08037	14.1
135.11629	1.5
137.09598	81.2
138.09999	0.2
143.08549	0.8
145.10124	1.1
147.11670	1.8
149.09642	0.3
149.13240	10.8
151.11174	0.4
158.10880	1.3
163.14769	2.1
173.13232	5.2
184.37511	0.2
191.14281	24.3
192.14635	0.2
209.15331	3.6
234.63506	0.2
385.52100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
57.03424	0.5
57.07074	0.7
67.05496	2.7
69.03418	6.2
69.07051	2.8
78.84498	0.4
79.05482	3.7
81.03408	0.5
81.07042	7.9
83.04965	0.5
83.08613	0.7
85.02882	3.7
91.05467	5.8
93.07014	2.6
95.04932	0.7
95.08571	3.0
97.02866	0.7
97.06514	0.5
99.67313	0.3
105.07019	7.2
107.04922	1.7
107.08586	20.7
109.02891	0.4
109.06506	8.0
109.10149	6.9
113.57436	0.4
115.05446	1.9
117.07005	3.0
118.07860	0.4
119.08595	3.6
121.06493	0.5
121.10117	14.4
122.07261	5.6
122.74466	0.4
123.08057	1.8
131.08548	3.5
133.10110	100.0
135.08040	15.7
135.11655	0.8
137.09599	63.3
145.10115	2.0
147.11707	2.0
149.09587	0.7
149.13242	12.8
150.21719	0.4
151.11179	0.9
158.10918	0.7
163.14772	0.9
173.13239	4.7
189.69479	0.5
191.14290	21.7
196.33902	0.4
209.15294	5.3
218.75761	0.4
223.53366	0.4
254.42413	0.5
260.30099	0.5
287.64209	0.4
295.83954	0.4
298.35126	0.4
325.35574	0.4
386.35403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68751	1.7
53.00313	2.4
53.03928	5.0
54.11112	1.7
54.81849	2.2
55.01857	4.3
55.05498	20.4
57.03421	2.4
57.07070	8.9
59.04993	12.1
63.51699	1.8
65.03928	3.3
67.05489	37.8
68.05811	1.8
69.03421	4.0
69.07063	35.1
71.04973	3.2
72.62911	2.0
75.04459	2.1
79.05476	72.7
81.07037	100.0
83.04960	21.8
83.08602	4.1
84.05737	4.1
91.05456	56.7
93.07021	93.4
94.07366	2.6
95.04926	20.1
95.08590	28.6
97.06509	18.9
98.03634	2.9
99.04434	3.7
105.07011	44.3
107.08576	78.5
109.06506	32.7
109.10159	20.5
111.08076	7.3
113.05985	2.1
119.08561	19.7
121.10113	22.6
123.08041	4.0
123.11665	7.8
125.20317	2.5
131.08580	4.9
132.08871	2.4
133.10106	32.9
134.10405	2.6
135.11681	47.0
137.09607	3.3
138.92061	2.0
139.11153	14.8
145.10110	9.9
145.90218	2.3
146.10468	2.6
147.11690	4.0
149.09578	3.3
151.11174	11.3
153.12715	4.3
157.10118	2.0
158.89621	2.3
161.13326	2.6
167.10666	3.4
185.11485	2.3
203.18016	2.7
240.82568	2.4
273.55582	2.6
387.17422	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	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.91658	0.7
55.05504	4.1
57.07067	1.8
64.33083	0.9
67.05498	3.7
69.07053	3.4
71.08628	1.1
75.76478	0.9
79.05481	8.7
81.07045	13.3
82.10306	0.9
83.04974	5.6
83.08613	4.6
85.10213	0.8
91.05462	8.0
93.07021	10.4
94.07405	1.0
95.04955	4.2
95.08604	5.6
105.06999	9.5
105.31213	0.8
106.07380	1.1
107.08582	82.3
108.08921	1.4
109.06506	1.6
109.10168	3.5
119.08589	3.6
121.10104	1.3
125.09608	100.0
130.80789	0.9
131.08560	1.4
133.10153	6.8
133.81802	0.9
134.10378	1.6
135.08101	1.1
135.11652	1.3
145.10091	1.5
147.11688	1.1
149.13153	1.1
151.11174	1.7
159.11737	1.6
161.13176	0.9
193.66522	0.9
203.17967	1.0
230.24792	1.0
239.73088	0.9
240.90936	1.0
293.17783	1.0
325.33109	1.3
370.28131	1.6
370.40387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.56852	0.1
56.69703	0.1
57.03416	0.2
62.56490	0.2
67.05500	0.6
68.05830	0.2
69.03397	0.7
71.22295	0.1
72.02393	0.2
81.03350	0.2
81.07036	0.3
82.69374	0.1
83.04959	0.6
85.02878	1.5
87.07767	0.2
89.65849	0.2
91.05423	1.2
95.04948	0.2
95.08581	0.2
97.02869	0.4
97.80917	0.2
98.97556	0.2
99.04457	0.2
99.08077	0.2
107.04913	0.8
108.05291	0.2
109.02869	0.3
109.10148	1.6
110.10476	0.3
111.04438	0.3
112.04766	0.2
118.06551	0.4
123.04439	0.2
128.04875	1.5
130.06511	1.3
132.04417	2.1
133.02838	1.0
134.03171	1.0
135.04411	0.3
138.04811	0.2
138.47456	0.2
139.03888	0.2
146.05991	100.0
147.06361	0.3
148.07565	0.7
151.03877	0.2
152.04247	0.4
158.06032	0.4
162.02686	0.2
163.03876	2.3
166.10953	0.2
172.99265	0.1
173.11818	0.2
174.05482	13.3
176.07027	2.3
179.03360	1.3
180.03662	1.8
192.06526	19.7
209.04411	0.7
222.07532	1.1
232.46004	0.2
239.08839	0.2
371.16806	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	371.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.2
55.01855	1.8
56.96551	1.4
57.03433	18.3
57.22730	0.9
59.04995	7.2
61.02916	9.5
69.03416	48.1
71.04980	2.2
73.02899	12.3
75.04467	4.0
81.03404	6.7
81.07052	1.2
83.04971	1.4
85.02894	100.0
85.06567	1.3
86.09691	38.2
86.10187	1.9
87.04450	28.1
87.10010	8.3
87.94592	1.1
91.03931	5.1
95.01297	0.9
95.04980	1.5
97.02876	44.8
98.97537	1.2
99.04446	4.4
101.02329	1.0
106.04024	1.2
109.02846	7.2
113.05989	1.1
114.60426	0.9
115.03909	21.8
122.07139	1.0
124.05013	1.6
125.88295	1.0
127.03909	20.6
132.10197	12.8
133.04947	22.8
133.10526	4.6
145.04936	28.0
150.05495	10.0
163.05946	12.2
173.08191	1.2
191.05618	5.3
209.06648	6.1
209.09053	1.6
213.41768	1.0
220.36356	0.9
237.02766	1.4
238.54507	1.0
239.11215	4.0
249.43590	1.1
274.78964	1.1
282.47568	1.0
310.27301	1.2
371.13324	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47676	0.3
55.01863	0.5
55.05503	0.8
57.03424	1.4
61.02909	1.8
65.03918	0.4
67.05486	0.7
68.62938	0.3
69.03416	4.2
69.07041	0.4
71.04981	5.1
71.38953	0.3
73.02919	0.5
78.89413	0.3
79.05475	0.6
81.03395	2.4
81.07046	0.7
83.04948	2.3
85.02890	9.6
85.06521	0.7
91.05470	0.9
91.70152	0.4
92.08677	0.4
93.07037	2.2
95.04950	100.0
96.05270	0.6
97.02871	4.0
99.04433	16.8
105.07016	0.5
107.08564	1.5
109.02886	0.5
109.06490	0.7
109.10151	0.6
111.08051	0.9
115.07581	0.6
119.08532	0.5
127.03893	0.7
131.08615	0.6
133.10103	3.2
135.08008	0.5
137.09608	0.5
142.74496	0.4
145.05003	0.6
147.11642	0.6
147.62917	0.5
151.11160	0.8
153.09087	19.5
173.13242	2.5
191.14307	1.5
193.15933	0.8
209.04352	0.5
209.15334	17.0
234.76817	0.4
371.16733	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08665	0.4
51.10925	0.4
52.75039	0.4
54.14276	0.4
55.05491	3.2
57.07067	0.5
60.46754	0.5
61.02903	0.7
67.05494	3.5
69.03410	6.1
69.07049	2.5
72.77224	0.5
79.05467	3.2
81.07040	8.4
83.04959	0.9
83.08591	0.8
83.71296	0.5
85.02891	4.6
91.05452	5.2
93.07019	4.0
93.47746	0.5
95.04947	0.8
95.08585	1.2
97.02885	0.9
103.05424	0.5
105.07005	6.8
106.01161	0.5
107.04942	1.2
107.08575	18.8
107.22898	0.5
109.06492	8.5
109.10139	7.7
115.05425	1.0
117.07000	4.0
119.08562	4.5
121.06461	0.6
121.10117	15.0
122.07255	4.6
123.08057	1.2
131.08582	3.8
133.10101	100.0
134.10437	0.9
134.28154	0.6
135.08028	15.8
135.11655	1.0
137.09592	62.3
145.10066	0.9
147.11604	1.9
149.09555	0.9
149.13240	12.7
151.11101	0.6
156.82509	0.6
158.10898	1.0
163.14828	2.1
165.95561	0.5
173.13219	7.1
191.14272	23.4
209.15364	5.4
209.67232	0.6
270.05600	0.6
321.11212	0.6
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
57.03432	91.6
61.02916	1.9
67.05491	6.0
69.03428	5.5
69.07057	1.9
71.04987	10.7
73.02908	1.4
79.05472	1.2
81.07042	1.7
83.04975	2.6
85.02890	14.0
85.06554	1.2
85.40124	1.3
93.03419	1.7
93.07032	1.5
95.04944	4.5
95.08582	8.2
97.02858	2.5
97.55136	1.3
99.08081	4.5
105.03353	1.4
107.04942	1.7
109.10146	12.1
111.04418	1.8
111.08050	6.7
113.05993	17.9
119.08549	2.4
123.75310	1.3
127.03917	1.3
127.11200	2.5
131.07024	59.8
133.02814	4.4
137.09624	7.1
145.08585	100.0
151.03862	2.2
155.10652	9.0
161.02333	1.4
173.08080	2.6
173.11697	4.1
179.03349	12.0
186.22382	1.2
191.09143	15.8
191.12755	6.3
280.31778	1.1
306.05078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85678	0.2
56.96552	0.3
68.71017	0.2
69.03432	0.4
69.07055	6.9
81.03394	0.2
81.07034	0.3
85.02893	1.3
86.06057	0.4
86.09689	100.0
87.09975	0.3
92.09412	0.3
97.02840	0.3
98.97548	0.2
103.02164	0.3
108.20508	0.2
109.06455	0.2
110.07144	1.0
112.12521	0.2
116.04864	0.2
127.03893	1.1
132.10178	33.6
137.06015	0.3
145.04950	0.2
155.03519	0.2
155.07069	0.4
156.07726	0.3
167.84320	0.2
173.04373	0.2
173.08073	0.2
214.65044	0.2
221.20416	0.2
237.02849	0.2
262.27692	0.2
285.05585	0.2
299.29715	0.2
353.71579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03930	0.7
55.01863	0.5
55.05509	2.6
55.65910	0.3
57.03415	0.7
65.03923	4.2
67.05143	0.5
67.05492	12.4
68.99776	1.6
69.03417	6.2
69.07050	0.6
71.04973	0.6
74.12177	0.3
77.03898	2.0
79.05482	2.9
81.03393	1.5
81.07044	5.0
83.04966	22.1
85.02892	6.7
87.04462	0.4
89.03890	0.4
89.42935	0.3
89.81111	0.3
91.05447	0.6
92.09314	0.3
93.03387	8.4
95.04950	14.7
95.08566	0.6
97.02854	0.7
98.09654	0.6
99.08088	6.1
101.70982	0.3
103.68790	0.3
105.03376	14.4
105.04474	0.7
107.04939	33.9
107.08577	0.3
109.02878	2.8
109.10147	7.5
111.04427	24.6
115.03899	1.2
119.04926	2.0
121.02854	3.9
123.04411	12.0
127.03889	0.4
127.11134	1.3
129.05457	9.6
131.07063	0.3
131.77025	0.3
133.02831	59.2
134.03584	2.0
135.04399	2.0
137.09554	0.3
139.03877	12.4
145.08611	0.3
146.05977	2.7
147.04395	9.6
151.03880	25.0
155.10622	2.4
157.03648	0.3
157.04948	9.2
161.02312	27.6
163.03857	0.4
173.11719	2.4
175.05989	6.6
179.03362	100.0
189.52428	0.4
191.12756	1.3
203.05453	0.4
206.78319	0.3
353.08490	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	370.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03417	0.5
61.02908	1.4
61.03435	0.4
67.05500	1.8
67.80656	0.3
69.03416	2.7
69.07073	0.3
71.04977	88.2
81.03400	1.4
85.02889	8.5
85.06526	7.4
87.04432	0.4
88.94151	0.3
91.03946	0.6
91.50183	0.3
95.04950	2.2
97.02893	3.4
99.04459	0.4
103.07537	0.7
109.02883	0.5
109.10112	0.7
112.55869	0.3
113.05994	8.6
127.03877	2.0
127.07530	23.2
131.07014	26.9
141.05453	0.5
145.04945	1.7
145.08580	100.0
146.08890	0.5
162.07559	0.5
173.08073	3.1
179.03362	0.4
180.08649	1.6
191.09113	19.6
208.11775	3.0
374.83798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02473	1.8
53.03949	2.3
55.01870	3.7
55.05507	30.3
57.03428	20.4
57.07043	8.9
59.04990	4.5
59.06096	9.1
61.02907	13.6
67.05499	23.0
69.03425	32.1
69.07056	90.8
70.06555	2.4
71.04958	10.3
73.02901	15.5
79.05468	16.9
81.03400	9.3
81.07040	42.8
83.04973	8.8
83.08602	13.0
83.78271	2.2
85.02894	92.5
85.06535	2.4
87.04441	3.6
91.05451	5.1
93.07026	79.9
94.07367	2.9
95.04934	8.1
95.08588	68.9
97.02885	24.9
97.06522	19.2
98.06856	2.1
99.04438	5.2
105.07011	3.4
107.08572	89.5
108.08908	5.3
109.02884	2.6
109.06501	3.1
109.10151	60.4
111.04423	4.5
111.08049	2.6
115.03872	3.2
119.08530	2.5
123.11642	19.9
125.09613	4.3
126.09866	2.5
127.03884	13.6
133.02832	5.2
133.04955	4.0
135.11668	89.8
136.12032	3.9
138.45702	2.3
145.04932	12.8
147.04498	2.5
150.54146	2.9
153.09003	2.3
153.12718	100.0
154.12991	3.0
163.03870	3.0
171.10127	2.6
171.13768	18.8
179.03377	8.6
189.11060	2.3
189.14841	31.0
190.07863	3.6
290.14865	2.4
300.24408	2.4
369.11383	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	369.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	1.1
55.05504	3.8
56.53126	0.9
57.07074	1.5
58.81201	0.8
66.70905	0.9
67.05502	6.7
69.07056	6.7
71.04979	1.2
79.05489	10.0
81.05132	0.9
81.07042	12.9
82.07374	1.2
83.04985	1.3
83.08603	0.9
90.59469	0.9
91.05472	8.6
93.07042	13.8
95.04943	4.4
95.08594	7.5
97.06516	1.0
105.07018	12.7
107.08583	9.4
109.06490	1.9
109.10136	6.3
117.06966	2.0
119.08546	9.4
121.10120	6.4
123.08031	2.0
128.06294	1.2
129.06973	1.8
131.04932	1.4
131.08553	6.0
133.10130	9.3
135.11661	5.5
142.07756	1.0
142.23969	0.9
143.08563	1.2
145.10147	4.4
147.11681	2.2
151.11198	1.5
157.10124	2.4
159.11699	3.9
161.13309	1.3
166.35408	1.0
173.13159	1.4
175.10994	1.7
185.13243	1.1
187.39325	1.0
199.14835	1.4
201.05241	12.4
216.07562	100.0
217.08336	38.2
234.08658	1.3
238.63852	0.9
351.26892	1.8
369.20300	21.4
369.27933	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80524	0.8
51.14286	0.9
55.01850	1.9
55.05505	21.0
57.03419	5.8
57.07058	9.6
59.04974	5.4
60.99141	1.0
61.02905	1.6
67.05498	13.6
69.03410	9.5
69.07056	100.0
70.06573	1.1
71.04964	6.5
73.02869	1.0
79.05472	14.5
81.03395	1.7
81.07039	52.6
82.07350	1.9
82.69847	1.1
83.04974	2.2
83.08615	14.7
85.02898	21.1
85.06533	2.4
87.04445	1.3
88.98592	1.0
91.05465	8.8
93.07022	71.4
95.04953	1.8
95.08584	51.3
97.02862	6.3
97.06520	10.0
100.02177	6.8
102.01775	12.6
105.07025	6.1
107.08582	81.4
109.02886	1.6
109.06512	1.5
109.10144	55.9
111.08066	2.6
111.11753	2.1
115.03931	1.3
115.07562	1.7
116.01656	4.8
118.01239	8.3
119.08579	5.2
123.11683	23.9
125.09616	1.7
125.13210	1.3
127.03919	1.6
135.11673	98.1
137.13203	1.7
139.03796	1.5
144.01164	1.4
145.02818	1.6
146.00691	1.8
151.11084	1.5
153.12723	92.4
164.01749	4.5
164.07063	1.6
171.10210	1.5
171.13786	29.4
172.10516	1.2
177.05356	2.1
182.08020	1.2
189.14847	28.7
203.04797	1.8
204.05244	2.7
205.04350	9.4
207.06255	2.7
369.16766	28.4
369.21506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20161	0.5
55.01871	0.5
55.05502	1.1
56.24010	0.5
57.07063	0.6
61.99910	0.4
67.05485	1.9
69.07038	1.2
71.04977	0.7
79.05465	2.3
81.07047	5.1
91.05473	3.9
93.07027	3.9
95.04967	1.0
95.08585	2.8
96.08939	0.5
101.72046	0.6
103.05487	0.6
105.07001	4.9
106.07305	0.6
107.08564	3.9
109.10158	1.1
117.06999	0.6
119.08564	3.2
121.10127	3.3
123.07993	0.8
123.11661	0.8
129.07014	0.6
131.04887	1.0
131.08540	2.2
133.10066	3.5
135.11636	0.7
143.08577	1.0
145.10123	2.6
147.07845	0.5
147.11653	1.0
155.08554	0.8
159.11673	2.1
173.09819	0.4
175.10974	0.5
185.13240	0.6
189.84192	0.5
201.05223	10.6
216.07558	100.0
217.08318	10.7
234.08704	0.7
357.33606	0.6
369.20261	7.1
369.27756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	1.1
55.05504	3.8
56.53126	0.9
57.07074	1.5
58.81201	0.8
66.70905	0.9
67.05502	6.7
69.07056	6.7
71.04979	1.2
79.05489	10.0
81.05132	0.9
81.07042	12.9
82.07374	1.2
83.04985	1.3
83.08603	0.9
90.59469	0.9
91.05472	8.6
93.07042	13.8
95.04943	4.4
95.08594	7.5
97.06516	1.0
105.07018	12.7
107.08583	9.4
109.06490	1.9
109.10136	6.3
117.06966	2.0
119.08546	9.4
121.10120	6.4
123.08031	2.0
128.06294	1.2
129.06973	1.8
131.04932	1.4
131.08553	6.0
133.10130	9.3
135.11661	5.5
142.07756	1.0
142.23969	0.9
143.08563	1.2
145.10147	4.4
147.11681	2.2
151.11198	1.5
157.10124	2.4
159.11699	3.9
161.13309	1.3
166.35408	1.0
173.13159	1.4
175.10994	1.7
185.13243	1.1
187.39325	1.0
199.14835	1.4
201.05241	12.4
216.07562	100.0
217.08336	38.2
234.08658	1.3
238.63852	0.9
351.26892	1.8
369.20300	21.4
369.27933	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64558	0.7
53.03940	1.4
53.65392	0.7
54.81408	0.8
55.01851	1.3
55.05504	13.3
55.89977	0.7
56.96546	6.1
57.03418	1.2
61.02879	0.9
63.23372	0.8
64.45165	0.8
67.05478	6.1
69.03413	12.9
69.07046	6.0
69.07859	0.8
69.15350	1.0
71.04977	12.6
72.62666	0.9
79.05474	7.7
81.03395	2.1
81.07034	11.5
83.04950	1.2
85.02883	10.6
86.50030	1.2
91.05457	13.2
92.08801	1.9
92.09315	1.2
93.07005	10.5
95.04949	9.3
95.08554	5.0
97.02867	3.9
98.97568	5.6
99.04436	13.7
105.07011	36.0
107.04934	0.9
107.08579	45.0
109.06503	4.4
109.10128	23.9
116.98592	1.8
117.06987	4.0
119.08559	66.9
121.06475	36.0
121.10108	4.3
123.08034	3.6
128.06232	1.6
129.06996	2.2
131.08542	5.7
133.06467	5.6
133.10110	24.9
135.08006	9.8
135.11696	1.4
137.49976	0.9
143.08533	5.6
144.09308	1.6
145.06473	3.6
145.10114	2.2
147.08032	24.5
147.11668	20.9
156.09335	11.5
157.10049	1.4
159.08076	1.4
159.11662	20.4
160.08826	5.6
161.09625	6.9
161.13214	39.9
171.11670	8.5
174.10335	1.7
177.12701	9.9
189.12709	20.5
199.06322	1.1
207.13766	100.0
224.30249	0.9
224.91028	1.0
369.15714	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	369.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75873	0.4
54.12683	0.5
55.05495	1.0
56.96571	0.7
57.07065	1.2
59.21512	0.6
62.57751	0.5
67.05488	2.6
67.16516	0.6
69.07030	2.7
79.05468	4.5
81.07029	8.2
83.08570	0.8
91.05460	3.2
92.09283	1.0
93.07011	7.7
95.04919	1.4
95.08590	4.4
103.05435	3.2
105.06999	6.8
107.04935	0.8
107.08571	6.2
109.06510	1.1
109.10114	0.8
117.85958	0.6
119.08549	5.2
121.06370	0.8
121.10124	3.5
123.11662	1.1
127.52942	0.6
131.04906	6.4
131.08542	1.3
133.10110	4.0
135.11644	1.2
143.08516	1.0
145.10118	2.8
145.13953	0.6
147.11674	1.4
149.13219	1.0
151.11134	0.6
155.08575	0.7
157.10085	1.0
159.11670	0.8
161.09601	0.9
173.13272	0.6
176.04297	0.8
177.12592	0.6
201.05191	8.3
203.17993	0.7
216.07541	100.0
217.08301	26.3
234.37119	0.6
278.31433	0.7
281.95169	0.6
328.16360	2.3
339.19296	0.7
369.20334	17.0
369.27411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
65.68964	0.5
67.05495	0.8
69.07056	1.0
71.04976	0.8
79.05472	3.0
81.07036	5.1
82.66969	0.5
83.04991	0.6
91.05460	3.0
93.07037	4.7
94.07319	0.5
95.04940	0.9
95.08060	0.5
95.08579	4.2
105.07013	4.9
106.78780	0.5
107.08586	4.8
107.76467	0.5
109.06516	0.9
109.10117	2.3
110.10430	0.5
117.06972	0.6
119.08563	3.3
121.10138	1.2
131.08559	2.8
133.10115	3.2
135.11649	1.0
143.08571	0.9
145.10120	2.6
147.11655	0.7
157.10143	1.0
159.11722	0.9
161.13184	0.6
165.71819	0.5
169.09981	0.5
171.11679	0.8
201.05197	11.0
216.07553	100.0
217.08337	22.1
234.08708	1.0
339.19412	0.6
356.35886	0.6
369.20276	14.4
369.27686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.8
57.03424	12.7
61.02907	4.7
67.05460	1.0
69.03398	6.3
71.01315	1.1
71.04977	41.4
73.02888	6.4
75.04459	9.9
81.03386	1.9
81.07047	2.2
83.04965	9.8
85.02889	100.0
87.04408	1.7
91.05474	1.1
93.07027	1.3
95.04982	1.0
97.02864	7.2
99.04454	1.6
107.04943	1.1
107.08580	3.7
109.02859	1.6
109.06492	1.9
111.04393	5.8
111.08035	1.5
116.22798	0.9
116.98624	1.3
125.09599	1.2
127.03895	8.7
127.07554	1.4
129.05457	16.3
131.04892	1.9
137.05925	1.0
140.58450	0.9
145.04950	8.0
147.06493	9.2
163.05978	1.8
173.08054	1.5
206.19409	1.0
288.02307	1.0
377.33130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46702	7.2
54.82027	9.6
55.05492	18.0
57.45333	7.9
63.26582	7.0
63.77286	6.9
67.05476	15.4
69.07066	39.7
73.06448	7.6
79.05478	37.4
81.07045	63.7
83.46243	8.4
87.68551	9.4
87.95685	8.5
88.84412	8.1
91.05456	54.1
93.07018	84.1
95.04987	9.4
95.08575	40.9
105.07017	83.3
107.08577	53.7
109.10131	34.0
109.22742	8.3
117.07007	18.4
119.08572	58.1
121.10152	15.4
131.08549	41.1
133.10086	66.3
135.11664	16.2
145.10121	37.5
147.11635	14.4
157.10088	10.5
158.43742	9.3
159.11678	15.9
170.64604	9.7
175.14810	10.1
194.75951	9.4
232.04993	100.0
327.22882	21.0
328.23233	44.6
368.42136	10.2
369.18256	9.4
369.27969	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	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.00075	1.7
55.01861	2.0
55.05502	11.2
56.70792	1.5
57.03429	4.0
57.07064	7.0
59.04982	2.2
61.02909	9.0
67.05489	27.0
69.03415	28.0
69.07065	3.8
71.04991	6.2
79.05487	3.8
81.03394	9.9
81.07040	7.1
83.04964	7.8
85.02890	42.7
85.06526	11.4
91.05466	9.7
93.07027	16.5
95.04941	3.5
95.08585	100.0
97.02865	16.9
97.06520	2.5
105.06997	21.4
107.08590	13.4
109.02872	6.5
109.06487	4.2
109.10152	2.7
113.05981	3.4
117.03391	3.9
119.08559	27.3
121.06482	7.3
121.10115	18.2
122.81142	2.1
123.08054	22.3
123.11694	2.3
127.03902	8.0
131.08539	3.8
133.06442	2.5
133.10109	10.8
135.08026	3.1
135.11681	9.4
145.02846	7.8
145.04977	7.4
145.10115	12.1
147.07996	4.2
147.11687	13.2
149.09590	56.3
151.07561	2.7
151.11192	9.9
155.08514	2.1
156.09363	8.4
159.07977	2.9
160.08757	1.9
161.09631	6.9
161.13254	12.5
163.11119	25.5
165.12721	4.1
171.11713	8.9
173.09608	1.8
174.10410	10.2
177.02162	1.9
177.05396	7.9
179.10675	2.2
189.02759	2.1
189.12709	40.7
191.14308	21.0
207.13776	47.9
322.95737	1.6
369.14969	3.2
369.19113	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	369.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05504	5.3
56.14064	1.2
56.96555	100.0
57.07066	30.8
57.07487	1.2
59.04988	1.9
61.36996	1.1
62.30317	1.4
67.05493	7.1
67.10762	1.0
69.03436	1.4
69.07059	6.6
71.04965	3.2
71.95247	5.9
79.05472	10.3
81.07029	19.2
81.25658	1.2
83.04944	1.6
85.02880	1.6
85.06528	10.6
91.05477	12.7
91.90321	1.1
93.07035	18.9
95.04949	9.7
95.08596	7.6
97.06513	2.3
98.97562	53.5
105.03362	2.2
105.07017	18.8
107.08556	18.8
109.06506	6.1
109.10123	3.0
111.04442	1.7
115.00698	1.4
116.98602	51.5
117.07006	2.6
119.08555	14.3
121.06468	2.5
121.10123	7.5
123.11707	2.4
129.07007	2.5
131.04893	7.0
131.08516	8.8
133.01703	2.0
133.10040	9.3
134.99634	39.0
135.08020	14.6
135.11679	4.9
137.02727	2.4
143.08566	3.1
145.01683	2.0
145.10091	9.2
147.11687	5.1
149.09575	2.3
151.00644	1.7
151.11159	2.4
153.00706	6.9
153.02094	1.4
155.03777	8.5
157.01639	2.0
157.10130	2.7
159.03323	6.9
159.11668	2.3
161.01192	1.8
161.04778	2.3
163.11244	1.8
165.02293	1.9
167.10677	1.8
169.01700	17.2
169.05333	1.9
171.03276	8.2
173.04785	2.8
175.06419	6.5
175.14807	1.6
177.04291	5.4
181.05243	2.0
183.03259	11.9
185.04836	8.2
187.02664	2.7
187.06403	1.7
189.00648	1.8
189.04346	2.4
193.01715	11.5
193.07468	2.9
195.05402	3.1
197.01154	1.8
197.04892	3.2
199.06342	9.6
201.04366	16.2
201.07962	6.9
201.16312	2.4
203.05914	7.7
205.05441	1.6
205.07417	2.4
209.04991	2.4
211.02724	24.1
211.06470	5.7
213.07961	2.1
215.05779	3.7
217.07452	7.5
217.15970	1.7
219.05304	2.9
219.08946	3.1
219.17387	4.7
221.04764	1.6
223.06367	7.6
225.07956	2.2
227.05914	2.2
229.03831	1.7
229.07483	10.8
231.08955	1.6
235.08496	1.8
237.18442	2.0
239.09496	5.7
241.07431	2.2
247.08392	1.6
248.09178	1.5
250.05057	5.5
253.07474	6.1
255.08862	1.5
257.10428	12.7
263.09464	2.4
268.06079	16.9
271.08594	11.3
273.11609	2.7
281.10345	1.3
291.12631	21.3
309.13776	17.4
327.14868	1.8
333.13782	4.8
339.12680	1.8
340.16226	1.5
351.12161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01860	1.6
55.05492	8.7
56.96560	100.0
57.03411	2.2
57.07069	29.2
62.32996	1.0
63.43473	1.2
67.05489	8.0
68.40994	1.2
69.03416	2.8
69.07040	8.8
71.04984	1.9
71.95238	3.3
74.97572	2.2
79.05495	12.8
81.07040	26.6
83.04956	7.0
83.08607	1.8
84.96036	1.5
85.06540	10.4
91.05469	19.4
93.07022	23.6
95.04953	6.4
95.08582	12.1
97.06475	1.7
98.97566	47.8
103.05454	1.7
105.07014	22.5
107.04971	1.8
107.08577	24.4
109.06496	7.7
109.10129	8.8
111.08028	1.7
116.98599	43.3
117.07011	6.9
119.08553	17.0
121.06514	2.3
121.10130	11.2
123.08028	2.7
123.11686	3.2
129.06935	2.0
131.04922	2.2
131.08551	9.4
133.01753	2.7
133.10117	11.1
134.99640	28.8
135.08034	17.3
135.11665	7.5
137.02734	2.4
137.09621	2.1
142.07777	1.8
143.08562	1.8
145.01736	1.7
145.10126	8.8
147.11703	3.0
149.09576	7.8
151.00659	5.8
151.11168	1.6
153.00676	8.7
155.03757	8.0
155.08521	1.8
157.01668	2.4
157.10155	5.6
159.03264	9.1
159.11687	5.9
161.13168	3.2
169.01726	12.9
169.10078	1.9
171.03310	9.9
171.11688	1.6
173.04828	2.4
175.06430	7.1
175.11172	2.5
177.04306	3.2
181.12009	1.4
183.03249	9.5
185.04880	3.0
187.02760	9.0
193.01685	11.5
193.07402	2.9
195.05450	2.5
195.11812	1.6
196.16943	1.6
197.04807	6.5
199.06416	6.0
199.14706	1.9
201.04288	14.6
201.07938	7.0
201.16333	1.7
203.05887	7.6
209.04808	6.5
211.02754	17.9
211.06392	6.8
215.05925	2.9
217.07452	13.6
217.15791	1.8
219.05475	2.6
219.08922	5.1
219.17354	1.7
221.06842	2.4
223.06316	6.8
227.05779	2.6
229.07425	7.9
231.09068	1.7
235.08458	3.4
237.04506	1.6
237.08029	1.6
239.09557	6.0
241.07440	6.3
243.08939	2.3
250.05162	1.9
251.05653	1.8
253.07462	2.8
257.10510	17.2
263.09509	2.5
268.06146	17.2
271.08356	10.3
273.11615	2.4
281.10349	1.8
291.12671	19.9
309.13638	20.6
369.27774	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	369.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25423	1.4
52.64001	1.1
55.05498	2.3
56.96556	100.0
57.07064	2.5
67.05502	5.9
69.03384	1.8
69.28684	1.3
71.04967	1.9
71.95242	2.7
74.97567	2.2
79.05476	5.6
80.15239	1.5
81.07040	14.0
83.04963	1.8
85.06540	2.5
91.05457	10.9
93.07029	13.8
93.33099	1.4
95.04959	6.1
95.08575	6.7
98.97562	83.0
105.07021	9.8
107.08571	9.6
109.06498	2.4
109.10149	1.9
111.08027	1.7
115.00697	3.0
116.98601	67.9
119.08595	3.2
124.99111	14.5
127.00653	3.3
127.36530	1.7
129.99385	3.4
131.00082	2.3
131.08565	2.7
133.01718	7.1
133.10133	2.8
134.99641	33.0
137.02715	1.9
141.02191	13.7
142.99097	3.1
143.00145	47.9
143.08600	2.7
145.01697	6.3
145.10101	1.6
148.00433	6.2
149.01195	2.0
151.11191	1.7
153.00671	6.9
153.02087	1.5
155.03802	1.9
157.01677	1.5
159.03247	47.3
161.01180	56.0
166.01572	1.9
169.05159	1.7
171.03273	6.4
173.04898	2.2
175.02794	1.8
177.04309	19.5
179.02245	14.1
183.03264	13.0
185.04817	8.7
185.76848	1.6
187.02737	9.3
189.04388	2.4
191.05852	6.1
193.05338	1.5
195.05414	3.3
197.73048	1.5
199.06465	2.6
199.14792	2.3
201.04303	19.6
203.05853	2.4
208.96310	1.9
211.06377	19.0
215.05907	2.7
217.07451	18.0
223.10136	1.8
225.07829	1.8
227.05858	5.7
229.07416	42.0
235.08376	3.1
239.09474	1.6
241.07442	2.4
241.11035	5.9
245.06961	6.5
247.08453	6.3
253.07472	11.6
257.10715	5.7
265.11121	3.1
269.10574	2.8
271.08441	18.1
283.12140	17.5
309.13834	2.3
327.14951	2.2
335.15329	19.8
337.12958	6.8
351.14667	3.4
353.16122	3.2
369.15988	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81746	0.8
55.01867	1.2
55.05517	1.9
56.96557	52.6
57.07065	4.7
58.29367	0.9
67.05489	2.0
68.55810	0.8
69.07062	4.4
71.04968	3.7
71.95243	4.3
72.93777	0.9
74.97578	1.0
79.05474	4.8
81.07037	10.4
87.78824	1.0
91.05461	6.5
93.07022	9.0
95.04974	1.5
95.08593	5.9
98.91840	1.0
98.97562	100.0
103.46095	1.0
105.07011	8.1
107.04980	1.0
107.08575	5.2
109.10140	3.8
115.00684	1.7
116.98602	94.9
119.08552	5.7
121.10136	2.0
131.08629	1.3
133.01709	1.6
133.10120	4.5
134.99634	52.8
135.11722	1.4
137.02701	3.5
137.09633	1.1
140.00185	2.2
141.02226	2.1
145.01682	1.4
149.09599	1.2
153.00726	9.6
153.01897	1.2
155.03763	4.6
156.01010	2.0
157.01747	1.1
157.10141	1.7
158.01114	1.0
159.03305	11.1
159.11665	1.1
161.04863	1.7
165.02228	4.1
169.01698	3.8
171.03258	4.3
173.04819	5.1
174.01979	2.2
175.06377	1.4
177.04295	8.4
181.05379	1.1
183.03264	19.7
185.04877	1.0
187.02753	6.6
187.06381	1.3
189.04285	1.3
191.05873	6.1
195.05402	8.5
195.11546	1.0
199.06371	6.7
201.04321	25.7
201.06050	1.6
202.67671	1.0
205.03810	2.0
205.07486	1.0
209.06992	6.7
211.06461	1.1
217.07439	28.2
219.05328	4.3
223.09985	3.7
227.03674	1.8
229.07494	1.4
235.08456	13.0
239.09509	4.6
241.11111	18.1
257.10547	10.1
259.12173	1.2
265.11066	11.1
269.04626	1.7
275.11380	3.2
283.12122	36.6
301.13205	1.9
306.13654	1.5
317.14139	1.1
335.15250	42.6
353.16232	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	369.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02134	0.8
55.05515	2.3
56.96560	100.0
57.03413	0.8
67.05496	2.1
69.07053	1.1
71.04973	6.5
71.95246	4.0
74.97604	1.4
75.96070	0.9
79.05459	5.0
81.07035	7.8
84.96011	1.3
91.05476	6.8
92.09244	0.9
93.07023	4.9
95.04954	1.4
95.08584	4.7
97.06496	1.4
97.48652	0.9
98.97568	88.1
105.07023	6.6
107.08562	4.5
109.06513	1.4
109.10147	1.0
110.39438	0.8
110.41540	0.8
115.00681	11.1
115.39701	0.8
116.98605	63.4
116.99450	2.1
119.08571	4.5
123.11610	1.1
124.99063	1.1
127.00664	3.8
128.98598	1.1
129.06956	1.4
131.08583	1.9
131.84068	0.9
133.01747	10.0
134.99640	35.4
135.00621	1.8
137.02733	6.5
138.13071	1.0
139.00653	1.6
141.02219	25.8
143.00150	4.3
145.01724	6.2
145.10066	1.1
147.11679	1.1
151.02708	1.3
153.00737	9.1
153.36642	0.9
154.20934	0.9
155.03796	5.6
157.01662	4.0
159.03278	74.6
161.01224	6.3
163.02823	1.9
166.39206	1.0
168.38240	0.9
169.01611	3.5
169.05392	0.9
171.03268	5.0
173.03343	1.0
173.04810	2.3
175.02745	4.1
177.04320	24.0
181.05386	7.9
182.04852	1.2
183.03307	4.1
185.04794	4.2
187.02769	6.0
187.06422	1.2
188.03429	0.9
189.04341	1.7
197.04875	5.1
199.06406	14.5
201.04364	9.0
205.03841	1.8
211.06401	6.3
213.04500	1.5
215.05876	3.7
217.07494	0.9
227.05917	1.3
227.09550	1.9
228.72780	1.1
229.07472	3.6
237.07959	1.2
239.09584	5.4
241.07394	1.7
251.09470	5.7
257.10583	4.5
269.10629	1.3
288.83511	1.0
309.13715	2.1
327.14731	1.6
333.13672	4.4
344.46283	1.1
351.14700	4.7
369.15854	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	1.4
55.05495	4.1
56.96559	100.0
57.06781	1.5
57.07066	34.9
66.63865	1.0
67.05491	4.6
69.07047	4.8
71.04980	1.9
71.95257	7.6
74.97617	2.1
76.81658	1.0
77.97585	1.0
79.05468	9.4
81.07037	14.0
83.04941	1.6
83.08620	1.9
84.96014	1.9
85.06535	10.7
91.05473	12.5
91.29408	0.9
93.07034	15.4
95.04949	5.2
95.08591	7.1
97.06513	2.2
98.96922	2.2
98.97565	57.3
98.98203	2.3
99.04439	1.6
105.07009	15.5
107.08601	11.0
109.06509	4.7
109.10162	5.4
110.62099	1.1
111.04424	2.2
111.08096	1.4
115.00640	1.7
116.98601	54.3
117.07017	2.3
119.01662	1.2
119.08562	9.8
121.10120	4.7
123.11672	1.1
131.04886	1.2
131.08522	5.7
133.01768	1.3
133.10098	6.7
134.99643	30.3
135.08044	9.2
135.11639	1.5
137.02724	5.3
137.09566	1.3
139.15735	1.2
141.02235	2.1
142.07800	1.9
143.00180	1.6
143.08592	1.9
145.01721	2.1
145.06467	1.3
145.10124	5.3
147.03340	1.7
147.11777	1.5
149.01152	1.4
149.09576	2.7
151.00708	2.3
151.11177	4.9
153.00691	6.3
155.03772	7.8
157.01715	1.6
157.10088	1.9
159.03275	9.2
159.11665	2.7
161.01242	1.6
167.03824	1.4
169.01732	12.0
169.05353	1.1
171.03287	8.4
171.11710	1.3
173.04865	5.5
175.06421	5.9
177.04364	5.5
181.05273	2.2
183.03285	11.8
184.20207	1.1
185.04915	4.4
187.02789	8.0
187.06364	4.6
189.04355	5.5
190.95297	1.4
193.01736	14.1
193.07462	4.9
195.05295	2.0
197.04872	7.3
199.02695	2.0
199.06424	7.4
201.04309	16.6
201.07988	8.7
203.05943	7.8
209.04836	5.4
211.02762	19.9
211.06430	5.0
213.04274	1.5
213.07884	1.3
215.05939	5.2
217.07445	8.8
219.05385	2.3
219.08965	4.4
221.08580	1.6
223.06448	5.1
225.07840	1.3
226.07495	1.1
227.05846	4.8
229.03928	1.7
229.07393	11.3
231.09029	4.1
235.08568	2.4
237.08064	1.2
239.09529	4.5
241.07471	5.5
242.04640	2.4
243.09204	1.7
247.08313	1.5
250.05209	3.8
251.05905	1.4
253.07433	6.4
255.09004	2.3
257.10519	15.1
268.06168	18.2
271.08487	12.4
273.11685	2.2
288.97040	1.2
291.12622	20.1
292.89166	1.3
309.13669	18.2
333.13510	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	369.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42533	1.1
53.03957	1.9
54.81653	1.4
55.01875	3.5
55.05508	3.1
56.96561	89.8
57.07067	7.9
67.05497	7.8
69.07064	6.2
71.95263	2.5
75.39976	1.4
79.05473	10.8
81.07043	17.9
83.04971	2.1
85.06563	2.9
91.05471	13.6
93.07027	20.0
95.04963	8.6
95.08603	7.6
97.72013	1.7
98.97566	61.8
103.05411	1.5
105.07018	16.4
107.08590	12.5
109.06534	1.9
109.10130	3.4
111.08115	3.0
112.99120	2.2
115.00708	3.4
116.98598	43.9
117.07028	2.6
119.01919	1.9
119.08575	10.1
120.05770	1.5
121.06498	1.5
121.10152	9.0
124.99072	16.3
127.00670	1.9
129.06979	1.7
129.99348	2.4
131.04865	1.6
131.08574	6.6
133.01743	5.6
133.10123	10.5
134.99649	30.6
135.08032	3.4
135.11687	2.1
137.09618	2.3
141.02226	7.4
143.00160	65.4
143.08524	2.8
144.19170	1.5
145.01846	3.0
145.10126	3.3
147.11713	1.8
148.00420	6.4
149.01216	2.5
149.09656	2.8
153.00685	3.4
155.03795	2.0
157.01735	3.4
157.10184	2.2
159.03262	21.3
159.11739	2.1
161.01199	100.0
166.01591	1.6
167.03813	2.4
169.01694	2.9
171.03232	3.5
177.04340	3.5
178.27802	1.5
179.02255	25.1
183.03256	7.2
184.02840	1.8
185.04910	11.9
187.02740	3.1
197.04782	2.1
199.02785	2.2
199.06471	2.9
201.04295	14.1
201.07942	2.0
203.05946	8.0
211.02727	3.2
211.06406	13.3
223.06490	1.8
227.05962	7.4
229.07492	28.9
239.09558	2.0
241.07391	2.4
245.06964	1.8
247.08548	10.2
253.07385	11.3
257.10574	5.3
269.10568	2.7
269.98520	1.8
271.08505	19.1
281.10434	1.7
287.11795	2.6
291.12686	6.8
293.13486	1.8
309.13693	7.5
311.11868	1.6
327.14856	2.7
335.15042	2.4
337.13403	2.3
351.14789	6.0
369.15814	6.6
379.46927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81514	0.9
55.05492	4.4
56.96557	71.9
57.07088	0.8
58.62508	0.7
59.04982	1.2
64.89230	0.9
65.03916	1.5
65.39456	0.8
67.05484	5.2
67.48344	0.9
69.03428	1.4
69.07045	5.1
71.04948	1.5
71.95232	4.2
79.05465	9.5
81.07035	14.5
83.04964	3.5
83.08585	1.0
84.96021	1.0
84.98637	1.0
85.02905	1.8
91.05457	15.4
92.09235	1.3
93.07022	13.8
94.92815	0.9
95.04929	6.3
95.08580	7.8
98.59258	1.0
98.97562	100.0
105.07013	14.0
107.04928	1.0
107.08582	7.7
108.24619	1.0
109.06503	2.2
109.10122	4.8
116.98597	95.0
117.07005	4.0
119.08546	10.1
121.06489	1.3
121.10165	1.2
123.08001	1.0
129.06961	1.4
130.07675	1.3
131.00168	1.2
131.08545	7.0
132.89966	1.2
133.01686	4.3
133.10112	4.4
134.99634	70.0
135.11656	1.2
137.02731	1.0
141.02167	1.8
142.07777	1.0
143.00156	4.2
143.08560	4.2
145.01665	3.3
145.10124	5.9
147.03296	1.7
147.11656	1.2
150.96872	0.9
153.00687	14.4
155.03789	4.9
156.09299	1.1
157.01668	1.3
157.10074	2.1
158.01204	1.5
159.03325	7.2
159.11674	2.2
161.01224	4.8
161.13184	1.5
169.01704	3.8
171.03297	2.1
171.11681	1.9
173.04840	2.0
175.02742	5.8
175.04616	0.8
175.06244	1.2
177.04340	1.9
181.05270	1.5
183.03290	8.0
183.11508	1.3
185.04822	2.1
187.02730	5.0
189.04254	1.4
195.03307	1.1
197.04817	2.1
199.02751	1.4
199.06427	4.7
201.04352	12.5
203.05823	2.0
205.03613	1.3
209.04828	2.2
211.06416	1.4
213.07930	1.1
215.05879	3.4
217.07414	1.8
219.05257	2.2
221.08490	1.7
223.06450	2.0
225.07909	1.4
227.05840	3.4
229.07478	1.7
235.06436	5.5
237.07974	2.2
239.09494	5.3
241.07439	11.3
245.06848	3.7
251.09332	1.8
253.07358	9.2
255.09000	2.2
257.10522	4.7
266.66159	1.2
269.10471	1.2
271.08484	3.1
279.09164	1.2
279.12628	1.4
281.10526	1.8
291.12604	5.9
297.13614	1.8
309.13611	5.1
315.12561	4.5
327.14612	7.0
333.13919	6.4
369.15689	12.1
387.16852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00051	0.3
53.03936	0.6
55.05507	24.5
57.03415	1.6
58.21936	0.3
61.02903	2.6
61.95122	0.4
69.03404	3.1
69.07049	7.3
71.04978	0.7
73.02911	0.4
74.62475	0.4
75.77569	0.3
76.31338	0.4
81.03403	1.0
81.07034	1.8
83.04947	0.4
83.08617	1.0
85.02888	11.0
87.08097	0.8
90.00404	0.4
91.03933	0.7
97.02895	3.2
97.10149	100.0
99.04435	0.6
107.08585	0.4
109.02822	1.0
112.98919	0.4
119.51065	0.4
123.11688	1.7
124.12070	0.8
124.13117	0.4
125.09608	19.0
127.03883	2.5
134.14050	0.4
143.03435	0.5
143.10660	40.8
145.04935	0.7
149.61655	0.4
152.98288	0.5
153.01825	5.3
153.05435	4.4
170.36870	0.4
171.02823	0.7
171.10121	10.5
180.08641	0.6
181.04941	0.7
189.11194	39.6
206.13899	0.8
314.61765	0.4
360.15356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.8
55.05503	3.5
57.03416	4.9
57.07058	1.3
59.04979	5.2
60.26483	0.7
61.02912	6.1
67.05248	0.6
67.05493	9.6
69.03404	11.1
69.07056	11.5
70.75476	0.8
71.04962	8.3
71.53585	0.8
73.02909	3.2
79.05478	5.9
81.03397	4.7
81.07033	13.8
83.04955	4.5
83.08601	4.4
85.02892	53.3
85.06513	1.4
87.04431	1.4
88.64992	0.7
91.03910	1.8
91.05460	5.0
93.07027	42.4
95.04948	3.9
95.08590	21.6
97.02862	9.4
97.06514	19.5
99.04388	2.9
103.03929	0.7
105.07003	4.2
106.07349	1.0
107.08577	56.7
108.08897	1.2
109.02857	4.6
109.06516	4.4
109.10147	30.0
110.10474	0.8
111.04421	5.7
111.08055	4.1
115.03943	0.8
119.08570	1.8
123.11726	1.2
125.05978	8.6
125.09620	3.7
127.03899	9.7
127.07507	1.6
129.05444	1.6
133.10069	1.6
135.08008	3.2
135.11673	100.0
139.87547	0.7
140.83090	0.8
143.07048	1.4
145.04942	16.4
147.06351	0.9
151.11189	1.3
152.11505	1.5
153.05464	8.5
153.09131	8.3
153.12723	83.4
163.05992	9.3
170.12444	0.9
171.06448	4.0
171.10150	8.1
171.13782	7.0
179.22607	0.8
189.07523	14.3
189.11206	5.0
310.78021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19137	0.9
53.00306	0.8
53.39505	0.8
55.05509	4.2
57.07066	1.2
59.04988	2.6
67.05495	2.0
69.07059	10.7
69.86198	0.9
71.04982	44.3
73.06546	7.5
79.05481	7.7
81.07044	47.1
82.07378	1.7
82.20914	1.1
85.02901	5.1
85.04932	1.3
91.05456	1.4
93.07029	23.9
95.08590	4.1
96.93111	1.0
97.06521	4.2
103.38033	1.0
107.08582	22.7
109.10159	6.9
110.10474	2.0
112.94006	1.0
123.11679	1.2
124.12047	2.0
131.52007	1.4
135.11671	33.5
148.09489	1.5
151.11101	1.2
153.12733	100.0
169.12131	1.2
170.12598	1.7
171.13849	1.6
187.13292	2.1
188.13680	1.9
282.15158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01866	3.0
55.05497	10.1
56.96558	100.0
57.03421	2.3
59.04981	4.5
67.05506	17.1
69.03415	5.3
69.07056	11.7
70.95831	2.5
71.04980	9.0
71.95242	3.5
72.93781	2.0
74.02256	1.9
75.42850	1.9
77.13049	1.9
79.05478	21.8
81.07038	30.7
83.04963	9.5
85.02898	5.1
85.06548	4.0
91.05471	27.9
92.09052	2.7
93.07038	27.8
93.58329	2.2
95.04940	17.0
95.08594	15.2
96.95660	2.2
98.97570	82.4
103.05463	3.1
105.07012	28.4
107.04919	3.1
107.08599	23.2
109.06516	4.3
109.10143	15.2
110.01808	2.0
111.08098	2.5
116.98608	77.8
117.06998	8.2
119.01932	15.3
119.08581	14.9
121.06458	2.3
121.10097	14.8
123.08074	5.0
123.11648	2.6
131.04890	4.6
131.08548	9.1
133.01753	8.0
133.10135	11.9
134.99637	60.4
135.08005	3.6
135.11676	4.9
137.02908	14.6
141.02194	7.6
142.07776	2.7
143.00197	9.7
143.08527	3.3
145.10106	9.1
147.08060	4.1
149.01208	4.1
149.09575	4.1
150.46481	2.3
151.07526	3.1
151.11153	3.6
153.00713	18.1
155.03770	10.0
157.10110	2.6
159.03294	18.2
159.11664	7.9
161.01234	15.1
167.08490	2.3
173.13205	2.4
177.04327	9.9
179.10733	2.3
181.05316	20.2
183.03293	4.9
185.04852	2.1
187.02751	3.2
189.05884	3.2
197.04814	9.5
199.06369	35.6
201.04398	13.2
211.06332	3.5
215.05901	4.7
229.07353	4.2
232.96687	2.5
239.07271	4.5
239.09448	2.3
245.06924	2.2
251.09575	12.0
253.07405	4.9
271.08517	4.6
280.86505	2.6
309.13913	4.4
327.14841	5.2
330.31134	2.6
331.89639	2.3
351.14645	3.3
369.15887	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	368.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01851	1.4
55.05502	8.2
57.03428	4.6
59.04982	1.5
61.02909	4.5
67.05493	7.8
69.03416	32.1
69.07054	18.2
70.51623	0.9
71.01328	1.9
71.04989	2.0
73.02891	4.9
74.09705	1.3
74.78023	0.9
77.37342	1.1
79.05460	4.3
81.07043	7.6
83.04969	6.3
83.08598	8.2
85.02894	19.0
85.06525	1.6
87.04464	1.6
91.05458	4.7
92.09228	1.8
93.07026	13.8
95.04981	1.5
95.08581	4.2
97.02879	5.3
97.06525	2.6
99.00794	2.6
101.05994	100.0
105.07009	6.1
106.07329	1.8
107.04932	1.3
107.08578	14.1
108.08910	1.1
109.02867	7.5
109.06518	2.5
109.10129	6.7
109.90515	1.0
111.04430	23.9
111.08067	9.3
115.03892	1.7
117.07029	1.4
119.06328	1.1
119.08565	2.3
123.11625	1.7
124.11951	1.2
125.06025	1.2
125.09625	6.7
127.03907	2.6
127.07533	8.8
129.05435	1.5
129.09074	1.9
133.10115	8.3
134.10432	4.2
135.08022	5.4
135.11670	6.3
137.09569	2.3
143.07019	69.4
143.08142	2.6
143.10660	2.5
147.08046	2.4
153.09135	9.8
153.12726	18.6
154.09363	2.3
155.10713	4.0
165.09154	1.7
171.06459	4.6
171.10081	13.2
173.04723	1.5
173.11815	1.4
183.10149	7.8
188.07022	11.2
189.07585	17.3
201.11197	8.7
206.07870	93.3
217.10742	2.1
263.08945	1.4
309.09607	1.4
357.00507	1.1
368.13052	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	368.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32930	0.8
51.37913	0.7
52.37532	0.7
53.03942	3.6
55.01855	6.7
55.05492	4.0
56.96556	1.0
57.03413	2.1
57.74700	0.8
59.04982	8.9
61.02903	4.4
67.05484	1.6
67.62779	0.8
69.03422	11.9
69.07040	1.6
69.27914	0.9
70.06576	0.8
71.01325	5.4
71.04964	1.3
73.02883	2.1
79.05045	1.7
79.05467	24.3
81.03392	5.8
81.07033	22.8
82.76875	1.0
83.04960	17.9
85.02888	32.1
85.06528	2.0
87.04436	2.3
87.28473	0.8
88.07597	1.0
89.02353	3.7
93.07001	1.3
95.04950	6.5
97.02886	14.9
97.06501	24.3
98.97515	1.1
99.02686	1.1
99.04432	1.6
101.05988	6.5
103.03915	1.7
107.04942	60.0
109.02844	2.1
109.06499	35.6
111.04424	92.5
111.08011	1.1
113.06006	1.8
116.94936	0.9
124.52459	1.1
125.05968	95.9
127.03870	5.3
129.05441	38.4
132.04445	2.3
135.04384	35.9
139.03879	1.8
143.07027	8.1
145.04918	1.6
147.06516	4.8
151.92303	0.9
153.05440	37.7
153.09012	2.9
157.04901	1.1
171.06491	80.8
173.02649	1.7
178.04956	35.5
189.07536	100.0
206.04454	34.5
206.10136	2.1
207.23697	1.0
368.09653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2264
Annotation	Guayulin C
Peak:m/z	Relative Intensity
51.02363	0.5
51.33584	0.5
53.03930	1.2
55.01845	0.9
55.05502	3.0
57.07066	0.6
67.05470	2.6
69.03426	6.5
69.07041	2.9
79.05476	6.1
81.07043	6.6
82.74380	0.6
83.04971	1.1
83.08612	0.8
91.05449	6.4
91.05946	0.6
93.07018	14.9
94.07410	1.0
95.04939	3.5
95.08578	4.9
97.06516	2.7
103.05447	48.6
105.06995	9.2
107.08582	12.7
109.06512	2.8
109.10150	2.5
111.08087	0.9
117.07016	1.5
119.08555	6.5
121.06481	6.2
121.10119	16.4
129.06992	0.7
131.04904	100.0
131.08554	4.4
133.06494	1.1
133.10130	4.9
135.08028	2.8
135.11670	10.6
137.09529	0.7
142.07761	0.9
143.08577	2.6
145.10095	6.9
147.11694	1.5
147.28844	0.8
149.09612	3.7
151.11143	1.0
157.10097	1.1
159.11662	2.8
161.09509	0.8
163.11163	3.4
171.11697	1.0
175.11179	2.7
183.11633	0.7
201.16400	1.1
215.14297	0.9
219.17427	6.8
230.09258	0.7
245.11772	1.0
332.26013	1.1
367.26291	1.4
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
53.03929	0.4
54.83758	0.3
55.01858	1.0
57.03419	1.2
61.02905	1.7
62.06080	0.6
67.05481	0.4
67.62677	0.2
68.99812	0.3
69.03419	3.7
69.07056	0.3
71.04980	0.4
73.02908	0.6
76.81483	0.2
79.05483	0.5
81.03405	1.6
81.07052	0.6
82.03747	0.2
83.04958	1.1
84.08290	0.3
85.02886	7.9
91.05463	0.3
92.09327	0.3
93.07027	0.5
95.04935	0.4
97.02865	3.1
97.06503	0.4
99.04424	0.4
107.04909	1.2
107.08612	0.4
109.02852	0.5
109.10188	0.3
111.04440	0.6
111.08052	0.5
113.05990	0.6
119.08514	0.3
125.05915	1.1
127.03883	1.1
129.05481	0.3
132.04420	9.9
143.07005	0.3
145.05000	0.4
153.05461	0.6
153.09059	0.4
171.06499	1.0
171.10127	0.6
178.04955	100.0
179.05305	0.3
189.07561	1.1
189.11169	0.4
190.71144	0.2
206.04449	93.5
244.77612	0.3
334.98428	0.3
368.09668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1685
Annotation	Capillaridin G
Peak:m/z	Relative Intensity
52.14804	0.5
55.05490	1.0
57.07059	0.7
58.45229	0.6
58.99573	13.2
67.05486	2.6
69.03415	0.7
69.07055	1.1
70.35429	0.6
71.04977	2.6
71.17281	0.6
76.03992	1.6
79.05476	2.7
81.07031	11.1
82.06566	0.6
85.02863	2.4
86.01208	0.6
86.99041	6.8
88.02177	2.3
91.05460	1.6
93.07023	3.2
95.08613	1.6
97.06539	0.8
100.02184	76.1
105.07010	10.5
107.08604	3.8
109.06501	0.9
109.10154	1.6
116.01659	56.3
119.08545	6.6
121.10133	2.9
123.08055	0.8
123.11691	3.7
131.08510	1.4
133.10054	0.8
139.39354	0.6
144.01134	20.8
145.10170	0.8
146.02718	1.1
147.09155	3.0
147.11646	1.3
149.04164	0.7
151.11174	3.7
157.04274	15.3
157.06204	0.8
157.12280	1.0
162.02176	21.6
166.06891	0.7
166.53925	0.7
169.12219	1.2
174.12798	0.8
187.13272	5.2
200.59488	0.7
203.04823	57.8
264.14145	5.2
281.14996	3.0
321.16330	4.5
367.16809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45434	0.7
55.05501	4.2
56.96555	4.5
57.07057	1.2
59.04987	1.0
63.02689	0.7
65.03930	1.2
66.80233	0.9
67.05482	5.3
69.03411	4.9
69.07049	4.5
71.04966	1.2
79.05495	6.6
81.07042	10.8
83.04955	1.3
83.08612	1.2
85.06521	1.7
91.05472	9.5
92.08770	1.2
93.07037	16.6
95.04955	2.2
95.08579	6.3
97.06516	1.2
98.97569	12.4
103.05452	16.5
105.07024	18.2
107.08595	15.6
109.06506	3.9
109.10144	4.7
116.98635	9.3
117.06999	4.1
119.08528	12.3
121.06491	2.2
121.10115	12.6
123.11631	1.1
125.09560	1.8
129.06993	1.2
131.04916	29.4
131.08549	4.3
133.10077	8.4
134.99611	9.2
135.11673	8.0
143.08444	1.2
145.10126	7.8
147.11644	4.8
149.09612	2.0
157.10098	1.7
159.11650	4.0
161.09593	1.6
161.13222	1.2
163.11188	3.7
171.11702	1.9
173.09381	4.2
173.13171	1.7
175.14760	1.6
201.05312	9.7
201.16428	2.2
201.23047	1.1
216.07555	100.0
217.08319	33.2
217.10426	1.2
219.17433	2.0
234.08711	1.2
249.09778	1.1
282.60617	1.0
293.14316	1.0
367.18759	16.4
367.25885	1.3
394.47293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19870	0.9
55.01851	1.7
55.05513	8.3
57.03419	4.7
59.04979	4.7
60.63167	0.9
61.02911	2.7
64.03986	1.0
67.05484	11.4
69.03413	6.7
69.07053	55.7
70.17201	1.1
71.04610	1.8
71.04974	41.2
72.05306	1.9
73.02928	1.0
75.06441	0.9
79.05468	10.6
81.03387	1.3
81.07034	76.8
82.07357	2.5
83.04961	7.2
83.08632	1.4
85.02884	22.3
85.06552	1.2
86.03230	1.9
91.05449	1.6
93.06989	12.1
95.04928	1.7
95.08603	2.0
97.02863	5.4
97.06496	7.4
99.04391	2.1
99.08087	6.1
105.07040	2.2
107.08571	21.7
108.08891	2.4
109.06485	2.5
109.10137	100.0
110.10511	1.3
111.08045	6.1
111.11703	5.2
113.05959	2.7
121.10124	4.0
123.08062	1.5
123.11681	38.6
124.12069	1.5
127.03911	1.8
127.11159	13.0
132.95842	1.5
133.10127	7.9
134.10472	1.6
139.11134	9.1
147.09140	35.0
149.09531	2.2
151.11157	30.7
152.11522	1.8
157.12204	10.2
159.09166	1.2
169.12193	34.0
170.12556	2.1
187.13254	66.3
198.96841	1.2
205.08556	7.7
245.12732	2.3
263.13828	1.3
281.14899	32.7
286.52176	1.2
320.27686	1.4
350.13287	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	367.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36794	1.3
53.03932	2.2
55.01864	1.7
55.05505	10.9
56.96561	100.0
57.04164	1.3
67.05497	13.5
69.03418	6.7
69.07058	11.4
70.75602	1.2
71.04997	10.9
71.95252	2.4
72.93806	1.8
74.97577	1.2
79.05077	1.8
79.05474	15.7
81.07040	27.4
82.22531	1.4
83.04974	7.9
84.96033	9.6
85.06522	2.5
91.05460	20.5
93.07024	26.2
95.04955	9.8
95.08588	15.3
97.06524	6.6
98.97566	73.9
99.04391	1.5
99.75341	1.4
103.05456	5.5
105.07020	23.2
107.04932	2.1
107.08572	18.5
109.06496	8.4
109.10157	8.0
111.04453	2.5
111.08065	2.5
115.07578	1.8
116.98605	84.3
117.07026	2.4
119.08576	17.8
121.06475	3.5
121.10133	9.0
121.13295	1.6
123.01164	1.8
123.08023	3.7
127.33517	1.7
128.06239	1.9
128.98572	2.8
129.06978	2.0
131.04907	7.9
131.08569	10.2
133.10150	13.4
134.99644	74.4
135.08058	3.5
135.11661	2.2
137.02849	2.5
137.09714	1.8
141.02193	3.4
141.05339	1.5
143.08517	5.7
145.01723	8.6
145.10121	8.6
147.08054	3.0
147.11670	5.9
149.09567	5.1
151.11153	1.7
153.00703	22.9
153.02003	2.4
155.03773	2.5
157.01669	1.9
157.10161	2.8
159.03256	15.1
159.11615	3.1
161.01237	6.1
161.13199	1.8
163.02724	2.9
165.02263	1.6
165.12732	1.7
169.01695	2.7
171.03235	20.4
173.04817	2.5
173.13185	2.9
175.02753	1.8
175.11151	1.8
177.04280	11.0
183.03282	7.5
185.04916	6.5
187.02829	7.1
187.99933	6.1
189.04341	9.5
195.03314	2.4
197.04753	13.6
199.02771	3.5
199.06491	2.1
201.04337	9.8
203.05873	2.8
209.04884	3.0
211.06389	3.7
211.99998	2.5
213.04337	8.5
215.05905	26.6
219.06985	2.9
221.04858	1.9
223.06355	2.6
227.05876	2.6
229.07443	3.1
231.05373	3.0
233.06737	2.3
235.06337	6.6
237.08035	11.1
239.05894	10.2
241.07355	3.2
249.08031	3.4
251.05780	1.8
253.07492	9.7
255.08978	14.0
257.06955	10.2
259.08487	2.2
265.07855	1.6
265.11124	1.9
267.09076	8.1
279.09085	2.3
281.14255	1.8
285.13757	2.8
289.10971	2.4
297.10126	2.0
303.14850	7.8
307.12189	12.3
325.13159	13.5
343.14203	6.0
349.13147	10.5
367.14130	23.5
367.26141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25790	0.4
55.01863	0.7
55.05508	1.0
56.96281	1.1
56.96561	31.7
67.05489	2.8
68.22762	0.6
69.07063	1.1
71.04973	2.0
71.95258	3.3
79.05487	3.4
81.07034	4.0
91.05462	3.6
93.07027	5.1
95.04959	2.3
95.08595	3.7
97.06524	0.5
98.97568	100.0
99.04442	0.7
103.05445	3.5
105.07001	2.7
107.08579	2.5
109.06516	1.1
116.98605	98.4
119.08578	2.5
121.06494	0.6
121.10130	1.1
123.08015	0.6
123.19321	0.6
127.00689	0.7
131.04912	6.4
131.08559	1.0
133.10121	0.6
134.99641	66.7
140.00159	2.1
145.01723	0.7
153.00691	15.3
155.03699	0.7
157.10173	0.9
158.01222	1.3
159.03294	2.7
161.01230	0.5
163.02753	0.7
169.01721	0.6
171.03242	1.0
173.04825	1.1
175.02698	2.1
177.04297	1.0
183.03265	1.1
187.02774	5.6
189.04315	4.4
197.04820	0.7
201.04283	4.9
205.03825	2.6
207.05391	1.3
213.04221	0.9
215.05920	2.9
217.03944	1.2
219.05389	0.5
223.06477	0.6
231.05385	3.1
237.08099	0.6
241.07515	1.3
255.09042	0.7
267.09048	2.6
281.51086	0.6
285.09976	1.1
325.13266	1.0
355.06467	0.6
367.14301	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	367.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12757	0.3
53.03936	0.4
55.01873	0.7
55.05506	1.8
56.96561	25.3
57.30562	0.4
67.05510	3.1
69.07049	1.0
71.04978	0.9
71.95241	2.0
79.05480	3.0
81.07053	3.7
83.04998	0.9
91.05474	3.8
93.07028	7.1
95.04951	2.1
95.08597	2.9
97.06533	1.7
97.16316	0.4
98.97572	100.0
99.04407	0.4
100.81351	0.4
103.05457	0.9
105.07014	5.3
107.04937	0.7
107.08571	3.9
109.06502	1.6
109.10172	0.6
111.04382	0.5
111.08039	0.6
116.98608	91.3
117.06995	0.8
119.08525	3.7
121.06469	0.6
121.10088	0.8
127.00561	0.7
131.04913	0.6
131.08542	2.2
133.10109	2.0
133.11319	0.4
134.99646	58.5
135.08046	0.5
136.75011	0.4
140.00146	1.0
142.07816	0.5
143.00142	0.9
143.08537	0.5
145.01698	0.8
145.10144	1.7
149.09621	0.5
153.00713	12.2
153.09117	0.4
155.00171	0.7
155.03772	0.5
157.01759	0.8
158.01259	2.5
159.03271	1.6
163.02676	0.7
169.01628	0.8
169.10068	0.6
171.03217	1.7
173.01184	0.5
173.04848	1.8
173.13263	0.7
175.02814	3.6
183.03323	0.5
187.02771	7.2
189.04332	6.9
193.03830	1.0
199.02658	0.7
201.04356	3.1
205.03818	3.2
207.05342	1.9
215.05876	2.8
217.03792	4.3
227.05949	3.7
231.05391	0.6
233.06999	0.7
235.04778	0.6
245.06850	4.2
267.08878	2.0
275.20038	0.6
285.10071	0.9
349.23523	0.5
367.14066	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	367.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.0
55.05499	9.5
59.04999	2.8
65.03928	3.4
67.05478	10.4
67.99319	2.5
68.99773	2.6
69.03419	33.5
69.07042	13.2
71.04976	2.8
75.46096	2.6
79.05467	10.4
81.07035	14.2
83.04976	3.9
87.00811	3.9
87.50797	2.4
91.05474	24.6
93.07018	29.3
95.04933	14.9
95.08563	4.3
95.38831	2.4
97.02867	19.3
97.06543	2.9
99.04417	4.6
103.88242	2.9
105.06997	27.5
107.04924	3.0
107.08569	29.8
109.02859	46.4
109.06503	14.4
109.10133	31.5
110.10424	4.9
111.04436	5.8
111.08081	3.5
113.06064	2.6
115.05438	2.7
117.07026	10.1
119.08554	30.9
121.06492	24.3
121.10113	5.3
123.08053	4.3
123.11666	4.7
127.11081	3.2
127.34557	2.9
128.06187	15.5
129.06931	19.1
130.07753	3.0
131.08540	23.5
133.06448	4.7
133.10104	5.9
135.08025	53.5
135.61258	2.7
137.05937	2.8
141.06958	18.9
142.07756	28.8
143.08551	32.1
145.06425	6.1
145.10100	6.2
146.07312	2.8
146.79340	2.4
147.08018	15.5
147.11642	5.0
149.09599	15.7
151.07545	3.1
151.83263	2.9
153.07002	15.9
155.08525	13.5
156.09302	39.2
157.06425	3.4
157.10123	28.6
158.07268	5.3
159.08044	23.1
159.11623	12.9
160.08852	2.7
161.05972	5.6
161.09566	8.5
163.07474	10.2
165.06996	4.2
166.07718	17.9
167.08582	4.6
168.09317	13.2
169.06422	18.0
169.12201	10.6
171.08055	33.0
171.11688	30.2
172.08795	15.8
173.09575	19.4
175.07504	17.4
175.11171	14.4
181.10075	14.1
183.11650	10.7
184.08815	29.8
185.09590	29.5
186.10384	6.1
187.11122	16.0
187.13240	10.7
189.09041	4.5
189.12685	10.6
191.06973	2.9
197.05882	4.2
199.11139	83.4
202.09888	3.2
203.10628	60.5
209.09558	13.2
211.07437	4.0
212.08234	27.1
215.10666	43.7
217.12257	16.4
227.10658	56.8
245.11670	100.0
253.73058	2.8
331.11786	9.2
365.57605	2.8
377.00052	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58355	1.0
53.03938	2.5
54.81463	1.1
55.01871	2.0
55.05500	2.5
56.96556	100.0
57.03423	1.2
58.04143	1.1
58.60638	1.0
67.05486	5.6
69.03416	2.2
69.07054	2.9
71.04972	2.6
71.95257	5.2
79.05480	7.9
81.07042	12.8
83.04980	4.4
84.96014	4.3
85.02858	1.0
85.06551	1.4
86.39528	1.1
91.05455	11.9
93.07014	15.9
95.04956	8.2
95.08578	11.8
97.06508	4.1
98.97560	83.0
103.05449	1.7
105.07013	10.6
105.11871	1.2
107.04913	1.6
107.08590	8.5
109.06496	1.7
109.10133	2.2
111.08073	1.9
115.00702	1.9
116.98598	77.3
117.06991	5.2
119.08566	10.6
121.10117	1.6
123.08049	2.8
123.11716	1.4
124.99167	1.9
127.00650	2.7
131.04906	7.3
131.08559	5.1
132.53682	1.2
133.01683	2.5
133.10135	4.8
134.99634	52.3
135.00618	2.0
135.08104	1.3
135.11627	2.5
137.02692	1.4
139.00621	1.2
141.02211	2.9
143.00127	1.4
143.08492	1.9
145.01703	9.4
145.10146	2.5
149.09587	2.6
151.00644	1.6
153.00713	12.2
153.02179	2.5
155.03864	2.7
159.03268	21.9
159.11659	1.6
161.01230	6.8
161.09608	1.5
163.11143	1.2
165.02191	1.5
169.01694	2.6
169.05336	1.5
169.98814	2.6
171.03256	23.3
173.04916	2.0
175.02747	1.9
177.04355	9.9
177.08893	2.0
179.03702	1.4
183.03282	6.7
185.04799	4.8
187.02785	5.8
187.99913	8.1
189.04309	11.8
189.12825	1.3
193.05406	1.8
195.03221	2.6
197.04791	16.7
201.04260	9.3
203.05869	2.1
205.03625	1.3
211.06425	8.0
213.04369	8.6
215.05870	31.9
221.04861	1.4
227.05884	2.8
229.07478	6.4
233.07031	1.5
237.07976	7.6
239.05766	8.5
241.07416	2.4
249.07924	2.2
255.08928	12.5
257.06863	14.5
267.09055	7.6
273.10165	1.8
279.09103	1.7
289.11057	4.7
297.10229	4.7
307.12067	6.1
325.13290	6.5
331.12216	5.4
349.13129	6.0
367.14359	13.0
367.20828	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	366.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71478	1.8
52.13770	1.4
52.16635	1.4
53.03933	2.6
55.01873	17.5
55.05503	10.8
56.96548	8.3
57.03437	1.9
57.07075	2.6
63.18629	1.7
65.03935	2.2
67.05502	16.0
69.03413	10.3
69.07056	13.0
79.05473	48.4
81.03419	7.4
81.07029	26.0
83.04964	24.3
91.05457	34.2
93.03377	3.8
93.07026	73.9
95.04946	52.2
95.08587	31.0
97.02891	7.7
97.06530	3.1
98.97594	13.7
103.05457	9.6
105.07018	56.8
107.04939	43.6
107.08576	71.2
108.71014	2.0
109.06488	18.4
109.10137	42.1
111.04430	10.2
111.08057	4.1
113.06007	7.4
115.05456	2.6
116.98600	11.5
117.07006	10.8
119.04930	2.4
119.08571	21.0
121.02885	8.5
121.06490	47.1
121.10121	31.3
123.08021	7.0
123.11703	3.5
125.09590	4.5
129.06989	3.6
131.04875	13.6
131.08528	25.9
133.06467	36.2
133.10115	12.6
134.99637	3.9
135.04399	84.9
135.05383	3.6
135.08025	49.9
137.09630	8.6
139.07547	3.2
141.06970	2.5
142.07765	1.9
143.08583	2.5
145.06479	9.9
145.10115	3.8
147.08070	12.5
147.11655	2.5
149.05969	35.6
149.09608	57.1
151.11166	23.7
153.09113	17.4
157.06416	2.3
157.10069	7.3
159.08051	4.6
161.05957	9.2
161.09587	7.2
163.07513	38.8
165.09091	2.8
169.10081	2.8
175.11063	2.5
177.07542	3.5
177.09074	100.0
179.10670	3.1
181.08554	4.5
181.10037	3.0
183.08084	7.7
195.10127	17.1
197.09644	3.8
199.11145	7.4
203.10663	3.5
209.13448	1.9
211.07523	11.7
211.11168	3.1
215.10672	3.0
217.12285	9.6
221.15425	4.4
225.09404	3.0
225.12711	7.7
249.14842	13.4
253.12189	7.3
253.15674	3.1
267.17557	7.6
276.70712	2.2
285.18423	4.2
295.04959	2.2
295.16919	18.3
310.06931	2.8
313.17953	84.9
325.09702	6.0
331.19016	50.3
349.19940	3.8
366.22699	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76282	0.8
52.49335	0.7
53.03933	5.2
53.43501	0.7
55.01865	7.8
55.05496	7.5
59.05017	0.8
65.03910	1.7
65.06580	0.8
67.05148	1.7
67.05492	45.3
68.99753	3.2
69.03408	4.9
69.07057	19.5
71.01324	3.6
71.04956	1.7
79.05474	15.3
81.03385	3.5
81.07040	18.7
82.29873	0.8
83.04963	2.3
83.08583	1.0
85.06506	6.7
87.51098	0.9
91.05455	34.7
92.64102	1.0
93.03376	1.4
93.07024	71.4
94.07336	1.3
95.04946	15.7
95.08582	100.0
97.02888	6.9
97.06499	2.2
103.05453	3.9
105.07014	23.2
107.04928	9.9
107.08582	44.2
108.05199	1.3
108.08904	3.7
109.02847	3.7
109.06482	7.6
109.10139	40.0
111.04414	1.3
111.08053	1.7
115.05399	1.1
117.07001	3.8
119.08546	17.6
121.06483	46.0
121.10120	21.3
123.04429	1.7
123.08044	8.5
125.09593	5.3
131.04895	1.3
131.08542	2.3
133.06467	1.2
133.10094	2.2
135.08035	4.9
135.11653	1.5
136.08340	1.4
136.12013	1.2
137.09605	17.4
139.11107	1.6
145.10123	1.6
147.07988	3.9
149.09581	3.7
151.07492	13.0
157.10045	1.1
161.09624	2.1
163.07533	5.2
164.07860	2.0
165.09099	30.2
179.10603	1.3
182.53947	0.9
183.10146	5.1
195.10127	3.5
196.10524	2.0
207.10027	1.1
231.13603	0.9
366.22665	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.3
53.03940	0.2
54.81815	0.2
55.01871	0.3
55.05515	0.4
57.03426	0.3
57.07074	0.3
59.05008	0.5
61.02914	0.8
67.05147	0.3
67.05502	7.3
69.03411	1.5
69.07058	48.7
71.04977	6.6
76.67384	0.2
79.05482	0.5
81.03419	0.4
81.07043	5.6
85.02904	3.8
91.05480	0.5
93.07030	0.8
95.04958	0.8
95.08574	1.6
97.02881	1.4
99.04483	0.3
105.07043	0.3
107.08582	7.7
109.10145	100.0
110.10476	0.2
110.70625	0.2
113.06001	3.1
113.09641	1.4
122.07920	0.2
123.11687	15.4
127.03886	0.3
127.11176	14.6
131.66127	0.2
133.10098	1.9
145.04906	0.4
151.11171	7.4
162.07600	0.3
169.12204	12.9
180.08667	0.8
187.13255	11.3
189.13052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.05383	1.3
55.01857	3.5
55.05499	2.8
65.03912	2.2
67.05492	14.3
68.99784	1.4
69.03429	2.2
69.07046	8.6
71.01344	2.9
71.04990	2.2
75.61023	1.2
77.12460	1.3
79.05464	23.0
81.03393	1.6
81.07056	14.4
83.04954	8.0
91.05462	26.6
93.07026	43.5
95.04946	21.9
95.08592	33.2
101.05767	1.3
103.05502	4.8
103.71133	1.4
105.07010	41.9
107.04945	22.3
107.08575	37.6
109.06516	12.1
109.10152	18.4
111.04408	3.0
111.08059	1.7
113.06005	1.7
117.06989	6.3
119.08553	13.3
121.02845	6.0
121.06470	19.2
121.10143	18.9
123.08051	2.7
125.09605	1.6
129.06982	2.8
131.04906	7.3
131.08546	16.3
133.06480	36.7
133.10129	9.1
135.04393	43.3
135.08037	26.0
137.09557	7.4
145.06499	3.1
145.10042	2.3
147.08006	3.3
147.11620	2.1
149.05984	13.3
149.09615	22.3
151.11151	7.5
153.09058	17.7
155.08434	2.0
157.06468	1.8
159.08058	3.3
161.05896	3.2
161.09566	2.2
163.07509	17.4
165.09102	2.2
169.10138	2.1
173.05884	2.2
175.07515	3.2
177.09073	100.0
179.10521	1.5
183.08026	13.6
183.11719	1.8
187.07454	1.6
189.08859	1.6
192.09460	1.6
195.10120	15.3
197.09593	7.2
199.11179	2.3
211.07501	7.4
211.11174	3.5
215.10725	2.0
217.12196	5.4
225.09134	1.7
225.12827	3.3
249.14723	3.1
253.12187	7.3
255.12433	2.8
267.17355	6.3
285.18375	2.7
295.17096	10.9
313.17892	29.5
315.14722	1.6
331.18991	17.7
343.14102	3.1
349.20050	2.1
366.22549	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.0
53.03931	3.7
53.62112	0.6
55.01858	4.3
55.05508	5.8
57.03423	8.6
57.07070	5.6
57.58841	0.6
59.04991	11.5
61.02913	9.9
64.32985	0.7
65.03948	0.9
67.05489	24.8
68.21071	0.7
69.03412	12.9
69.07046	8.3
71.04972	36.1
73.02892	3.9
75.75423	0.6
76.27744	0.6
79.05475	11.1
81.03406	6.9
81.07035	78.8
83.04957	3.1
83.08585	1.7
85.02886	45.8
85.06529	1.7
87.04472	0.7
91.03933	1.1
91.05457	13.8
93.07018	31.9
95.04940	10.6
95.08582	22.5
97.02865	15.4
99.04431	3.0
99.08062	1.5
105.07005	23.8
105.07657	1.3
107.04919	0.8
107.08573	100.0
109.02869	3.6
109.06496	16.6
109.10141	37.7
111.08060	2.9
113.05984	4.7
115.23857	0.7
116.70248	0.7
119.32887	0.7
120.81485	0.6
121.10110	1.0
123.08028	6.1
123.11678	59.8
125.09655	1.2
127.03883	7.9
127.07506	0.9
127.11214	0.7
131.08562	1.2
133.10100	46.5
135.08057	3.6
139.11084	1.1
141.09114	1.3
145.04915	5.7
151.11160	80.2
153.09004	5.5
163.07533	1.1
169.12196	93.3
171.10143	1.0
182.93942	0.8
187.13341	0.9
199.09607	1.2
217.10593	2.3
243.51183	0.7
331.17361	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	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05495	3.9
57.03426	1.7
57.07055	4.2
59.04978	10.9
64.46774	1.6
67.05489	26.7
69.03409	8.0
69.07044	10.2
71.04977	38.2
73.60175	1.8
73.86397	1.5
79.05486	12.9
81.03385	3.1
81.07037	66.5
83.04965	3.9
85.02900	16.9
85.83271	1.7
91.05443	16.1
93.07021	30.1
95.04942	13.0
95.08583	24.7
97.02872	3.5
99.04443	2.4
105.07006	28.9
107.08573	94.5
109.06510	13.6
109.10141	50.4
111.08066	1.7
113.05999	2.0
121.10126	2.0
123.08067	3.6
123.11680	57.0
131.08565	2.0
133.10106	55.2
151.11160	68.8
169.12201	100.0
187.13281	9.7
347.40128	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05506	8.3
57.03437	2.9
57.07071	1.9
57.93893	1.3
59.04993	13.9
61.02928	1.8
65.03947	1.9
67.05497	38.1
69.03413	11.3
69.06704	1.9
69.07050	22.0
71.04607	2.9
71.04978	54.5
79.05486	9.1
81.07042	54.9
83.04967	2.3
83.07246	1.5
83.08622	2.9
85.02892	22.8
85.06535	60.6
87.04451	7.6
89.06026	2.7
91.05467	22.2
93.07027	72.4
95.04974	3.3
95.08582	11.7
97.02850	6.0
97.06478	2.3
99.04454	2.7
105.07018	37.3
107.08588	35.0
109.06522	8.7
109.10149	83.9
111.08071	31.6
113.05997	1.7
121.10141	6.0
123.08006	2.4
123.11678	23.4
125.09618	15.2
127.03893	1.6
127.07576	1.7
133.10112	85.2
145.04982	1.7
149.77296	1.4
151.11176	71.7
162.11420	1.3
169.11018	1.9
169.12221	94.2
187.13261	100.0
223.83464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
53.03945	0.5
55.01868	0.8
55.05493	2.7
57.03426	0.9
57.07069	0.6
57.37072	0.3
59.04766	0.3
59.04998	6.6
61.02917	3.3
61.03178	0.4
65.03919	0.5
67.05494	8.3
69.03426	4.0
69.07041	2.2
71.04971	5.6
73.02897	1.5
79.05468	4.4
81.03401	1.6
81.07038	18.1
83.04964	2.2
83.08590	0.6
85.02892	12.2
85.03372	0.8
85.06503	0.5
86.09718	0.6
91.05457	6.1
93.07025	21.6
95.04947	2.5
95.08586	5.1
97.02872	2.9
97.06508	0.8
98.97475	0.4
99.04434	0.6
99.08134	0.5
105.07014	20.7
107.08578	100.0
108.08939	0.5
109.02880	0.7
109.06492	6.6
109.10145	17.3
111.04482	0.4
111.08064	13.0
115.03918	0.4
119.06073	0.6
121.10133	1.7
123.08040	5.2
123.11682	29.2
125.05904	0.5
125.09616	1.7
127.03882	2.0
132.95805	2.2
133.10109	35.1
135.08066	0.5
135.11690	0.5
141.09117	0.5
145.04962	2.6
150.96896	0.6
151.07510	0.9
151.11165	35.9
153.09100	0.8
158.97371	0.6
169.08597	3.5
169.12215	10.1
171.10098	0.4
174.96931	0.8
187.09662	2.6
198.96948	0.6
216.97894	0.6
217.10667	1.9
244.68398	0.4
313.16321	1.6
334.65909	0.4
367.09955	0.7
371.94968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01863	0.8
55.05504	7.4
57.03415	2.5
59.04976	1.3
61.02898	2.9
63.11197	0.5
65.03907	0.7
67.05489	6.0
69.03404	8.4
69.06678	0.8
69.07053	23.3
71.04971	16.2
72.95964	0.5
73.06538	0.8
78.76177	0.5
79.05474	18.4
81.03382	3.2
81.07037	100.0
83.04964	10.9
83.08625	0.9
85.02890	24.8
85.06515	0.7
87.04453	1.3
91.03953	1.0
91.05460	13.6
93.07024	24.2
95.04935	4.5
95.08592	6.0
97.02872	8.1
97.06506	18.5
99.04415	3.4
99.08061	3.0
101.05973	0.7
105.07013	19.8
107.08572	11.6
109.02885	2.1
109.06483	2.3
109.10134	7.6
111.04431	0.8
111.07995	0.7
117.03333	0.6
118.07748	0.8
119.04905	4.7
119.05999	0.6
119.08560	0.6
121.10094	2.2
123.08033	1.0
123.11665	10.9
127.03909	5.3
131.08548	1.0
132.95799	2.6
133.10104	43.6
133.86644	0.6
135.04384	0.6
141.09076	1.1
142.06947	0.5
143.00105	0.7
144.74637	0.6
145.04935	5.9
147.04381	11.7
148.04756	0.9
148.05945	0.6
150.96857	0.9
151.11165	12.7
158.97339	0.6
163.03891	4.4
163.06024	0.8
169.08656	0.8
169.12262	4.6
169.13499	0.6
174.96869	1.1
187.09625	3.3
187.13257	0.8
198.96831	1.1
216.97786	0.7
243.12263	6.3
247.76653	0.6
257.03317	0.8
273.66431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05501	2.9
57.03427	14.1
59.04984	1.6
61.02916	2.7
67.05481	5.3
69.03407	5.5
71.04960	2.4
72.01042	1.2
73.02895	23.6
76.56504	1.1
78.86549	1.2
79.05476	19.0
81.03402	1.4
81.07042	19.4
83.04961	1.2
85.02904	11.2
87.04459	2.3
91.05470	9.3
93.06487	2.3
93.07021	40.9
95.04929	1.5
95.08588	1.8
97.02859	6.2
97.10164	2.2
101.25806	1.3
105.07039	9.2
107.07877	2.3
107.08579	52.9
109.06513	6.4
109.10149	5.0
111.08075	16.3
115.03917	5.7
117.06997	8.7
123.08058	2.5
123.11676	4.3
125.09605	29.2
127.07561	1.7
133.10115	19.5
135.08037	46.0
141.09114	1.8
148.27493	1.2
151.11176	6.7
153.09084	100.0
153.63890	1.2
155.06967	16.4
163.07503	2.3
169.12244	1.5
171.10127	46.3
181.08577	19.0
199.09613	37.8
217.10678	73.8
217.54617	1.3
260.86511	1.2
319.69626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.8
57.03422	3.5
60.04235	3.6
60.04514	50.2
61.02919	3.1
67.05495	11.6
68.07426	2.7
68.62609	2.1
69.03410	17.7
69.07055	97.5
69.37967	2.2
70.06572	4.6
71.41196	2.0
79.05461	3.8
81.03400	12.0
83.04934	3.7
84.04475	11.3
85.02899	59.2
86.02376	2.8
86.09723	2.7
92.08635	2.5
95.04945	30.8
96.04485	17.6
97.02877	63.8
97.06516	100.0
98.06046	10.7
98.97537	3.5
109.02882	5.9
111.04423	20.3
112.07575	14.7
113.06057	7.2
123.04412	20.7
124.90154	2.5
126.05499	9.9
127.03912	14.4
138.09157	2.3
139.03885	50.8
140.07047	52.9
141.05450	50.8
144.06479	23.6
145.04895	3.9
151.07515	2.9
160.07565	3.8
162.07634	3.7
168.06520	77.3
169.04930	92.9
180.84592	2.4
182.08061	18.5
186.07573	30.1
186.11092	2.4
187.05998	34.6
204.08656	63.0
210.07614	18.9
228.08672	4.6
246.06685	2.2
246.09637	5.5
257.58328	2.3
348.12662	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12029	0.7
55.01858	3.8
55.05505	1.9
57.03429	12.9
61.02906	5.0
67.05488	5.1
69.03417	10.0
69.07050	1.9
69.20352	0.9
69.41004	0.9
69.57542	1.0
71.04981	1.2
73.02898	20.3
79.05473	22.1
81.03430	1.4
81.07040	14.7
81.08679	0.8
85.02888	15.7
87.04461	3.5
91.05456	10.1
92.27882	0.9
93.07021	46.1
95.04987	1.0
95.08600	1.8
97.02867	9.0
97.10167	1.3
105.07024	4.2
107.04892	1.0
107.07863	2.2
107.08578	55.9
109.02838	1.0
109.06487	9.5
109.10146	5.3
111.08053	20.9
115.03899	6.0
117.06989	10.1
121.64095	1.0
123.08072	4.0
123.11701	7.0
125.05992	1.5
125.09605	28.4
125.10522	1.2
127.07547	4.6
133.10118	7.6
135.08032	57.5
145.06438	1.0
151.07561	1.4
151.11172	1.9
153.09084	100.0
155.06999	15.7
163.07603	2.1
169.08542	3.9
169.12178	2.3
171.10132	54.9
181.08580	21.9
186.09067	9.9
187.09589	1.8
199.09624	39.9
204.10130	7.5
211.80138	0.9
217.10675	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06663	0.5
53.00311	0.5
53.03917	0.9
55.01855	4.3
55.05492	3.8
57.03419	3.0
57.07047	0.9
58.43430	0.5
59.04996	1.2
60.04524	0.7
61.02907	1.6
67.05486	10.0
69.03412	6.0
69.07048	3.5
71.04971	7.8
72.63471	0.6
73.02894	1.1
75.04462	1.2
79.05467	4.4
81.03397	1.3
81.07034	30.8
83.01338	0.6
83.04960	3.6
85.02886	17.6
85.06518	3.2
87.04472	1.0
91.05446	5.4
93.07024	21.4
95.04942	4.0
95.08580	77.9
97.02850	4.2
97.06506	3.1
97.10129	0.8
99.04426	3.8
99.08067	18.8
105.07001	11.9
107.08572	14.4
109.02875	0.7
109.06490	9.6
109.10138	8.0
111.08061	2.9
113.06002	1.2
120.08134	0.6
121.10081	6.2
122.10452	1.5
123.04418	1.0
123.08040	80.7
123.11671	13.5
125.09599	1.3
127.03902	3.0
133.06453	2.8
133.10132	6.9
141.09076	100.0
145.04938	2.9
151.07516	23.3
151.11156	15.7
161.02902	0.7
162.54901	0.8
167.10651	0.8
169.08559	30.1
169.12215	10.5
187.09619	55.3
187.13213	1.4
222.92873	0.7
223.05952	0.9
260.83279	0.7
262.53464	0.6
358.79663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75550	0.5
54.81755	0.5
55.01866	1.0
56.27135	0.5
62.34324	0.6
64.02428	0.5
67.05512	0.9
69.07046	0.7
76.01387	0.6
76.59100	0.6
79.05489	1.1
80.51067	0.6
81.03402	0.7
85.02883	0.8
91.05466	1.0
92.04971	0.6
93.07001	0.8
95.04942	1.3
95.08577	0.9
96.04478	0.8
97.06515	1.4
98.06000	0.9
105.06998	0.7
107.08591	3.1
111.32278	0.7
112.92553	0.6
120.04466	1.3
121.10122	2.5
122.06013	3.4
123.08030	0.6
124.03914	1.0
124.08321	0.6
129.06979	0.6
130.34738	0.6
132.08133	0.8
134.05995	0.8
138.05481	4.1
140.07007	2.5
146.09706	2.1
147.08051	1.2
147.09129	0.9
148.03912	2.9
148.07571	10.4
149.09622	2.9
150.05521	0.7
156.08058	1.4
158.06013	1.1
159.06740	0.6
160.07570	1.5
161.07091	2.6
161.10831	0.8
162.07846	0.8
163.08755	0.8
166.04982	5.9
167.10666	0.8
168.06575	2.7
170.09665	1.0
171.09091	2.8
172.07562	7.1
174.09111	5.1
175.08655	13.9
176.07048	16.4
176.09389	1.2
178.08598	1.3
184.07527	1.0
185.07085	1.4
185.15358	1.0
186.05455	1.4
186.07733	0.9
186.09140	3.0
188.05585	0.9
188.07140	1.1
189.06578	1.1
189.10266	7.7
190.08611	4.3
191.08119	1.1
194.04507	0.7
194.08157	1.1
196.07556	2.9
198.09148	2.8
199.08669	14.3
200.07068	10.6
200.08893	1.0
201.10248	1.1
202.07080	1.2
202.08867	4.7
203.08139	36.3
204.06567	3.0
204.08672	0.8
207.11356	1.2
213.06715	1.0
213.10184	9.1
214.08771	5.1
215.08162	0.9
215.11801	0.8
216.10191	2.5
217.06189	1.5
217.09770	29.9
218.08162	3.7
219.11238	0.8
222.07733	0.7
223.08591	1.2
224.07069	3.4
226.08847	0.7
227.08156	27.7
228.06540	5.1
228.08775	1.3
229.09709	5.1
231.07646	1.0
231.11319	2.4
235.10782	8.4
241.09644	15.0
241.11884	1.0
242.08102	9.4
243.11440	1.3
244.09727	0.9
245.09187	80.1
246.07585	4.0
247.10710	4.5
250.07025	2.8
259.10706	16.2
260.09134	0.8
263.10223	50.7
269.09225	7.1
270.07468	0.9
271.10583	1.1
273.08777	5.7
277.11633	1.2
287.10199	32.8
287.13336	1.3
289.11743	1.0
291.09714	9.8
305.11276	88.8
315.09805	1.4
323.12308	26.1
333.10779	14.9
345.55023	0.7
365.13385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
59.60985	0.7
67.05488	0.6
69.07079	0.7
70.02896	0.8
81.07036	1.1
84.04489	0.7
87.22740	0.6
91.05380	0.7
93.07043	0.8
94.06512	0.8
95.04939	2.5
96.04482	1.1
98.06039	0.8
120.04456	1.2
121.10131	0.6
122.06013	3.4
123.04384	0.9
131.08577	0.9
137.05888	0.6
138.05458	3.5
140.07057	2.5
144.08090	0.9
147.08067	1.2
148.03978	2.9
148.07553	9.5
150.05499	0.7
154.06642	0.7
156.08180	0.8
158.05986	2.5
160.07568	1.5
161.07042	1.1
161.10753	0.8
162.07910	0.7
164.07019	1.1
166.04973	8.4
167.10635	1.0
168.06566	1.0
168.08089	0.8
170.09657	0.8
171.07921	0.9
171.09152	2.5
171.82019	0.7
172.07542	5.9
174.09158	6.3
175.08636	13.9
176.07028	16.3
176.09441	2.3
178.08600	0.8
185.07048	3.5
185.10710	0.8
186.05394	1.4
186.07755	0.7
186.09192	1.5
189.06578	1.5
189.10265	6.9
190.08653	4.2
194.08122	1.0
196.07567	3.1
198.09128	2.7
199.08655	12.2
200.07005	8.0
201.10179	0.7
202.07030	0.9
202.08636	4.0
203.08121	34.5
204.06522	2.4
207.11275	1.1
213.06767	0.8
213.10228	9.7
214.08633	5.0
215.08150	0.7
215.11699	0.7
216.10194	2.7
217.06223	1.9
217.09746	29.6
218.08124	2.6
223.08585	2.4
224.07076	4.0
226.08675	1.1
227.08138	29.4
228.06505	3.9
228.08669	0.7
229.09735	3.5
231.11250	3.3
235.07019	0.9
235.10696	6.9
241.09676	15.7
242.08051	10.4
243.11319	1.5
244.09779	1.3
245.09177	81.1
246.07523	2.9
247.10794	4.1
250.07140	0.9
259.10724	17.7
260.09015	1.0
263.07367	1.3
263.10208	41.1
269.09183	7.6
270.07458	1.2
271.10751	0.7
272.08948	0.9
273.08670	5.3
277.11847	1.3
287.10208	34.2
291.09689	9.7
297.08649	0.8
305.11255	100.0
315.09689	3.1
323.12289	18.2
333.10733	12.1
347.12326	1.0
365.13367	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59229	0.6
54.82132	0.6
69.07054	1.3
70.94736	0.7
85.02900	1.3
91.58245	0.8
93.53489	0.6
134.27884	0.8
140.07042	0.8
141.34273	0.7
168.06516	1.8
169.51938	0.7
169.53499	0.8
173.86494	0.8
185.04199	21.3
196.69086	0.8
203.05251	57.5
326.01257	0.7
336.98227	0.7
365.10492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20738	2.1
50.60794	1.9
53.03930	3.2
55.01869	8.2
55.05499	16.4
56.96281	3.7
56.96555	100.0
57.07063	8.6
63.08112	1.9
65.03931	3.6
67.05488	13.4
68.61314	1.8
69.03412	4.3
69.07046	15.1
70.06567	9.3
71.04980	8.8
71.06899	2.6
71.95238	3.0
79.05484	31.4
81.03407	2.8
81.07035	45.2
82.13538	2.1
83.04964	9.3
83.08604	8.1
85.37388	2.0
91.05454	41.2
93.07020	43.5
94.07374	2.9
95.04961	21.8
95.08580	13.5
97.06512	11.5
98.97562	56.4
99.04435	2.7
103.05448	28.4
105.03269	2.2
105.07005	54.3
107.04944	2.9
107.08566	34.5
109.06487	15.2
109.10135	13.6
111.08065	4.4
115.05393	2.8
116.98592	78.7
117.06979	12.5
119.06080	2.2
119.08553	28.2
121.06456	16.0
121.10109	11.5
123.04380	4.3
123.08040	4.6
123.11645	2.3
125.05997	2.7
125.09565	2.6
128.06160	3.1
129.06956	5.2
131.04889	53.6
131.08524	19.9
133.10104	18.8
134.99619	71.3
135.04376	9.6
135.08025	10.6
135.11641	2.9
141.07007	3.4
142.07762	4.4
143.08553	15.0
145.01685	3.1
145.06430	11.4
145.10083	19.2
146.07231	11.7
147.07997	15.8
147.11681	4.9
149.05949	83.0
149.09656	4.1
151.11090	3.8
153.00685	22.9
155.08522	3.3
157.06372	2.6
157.10098	13.1
158.01219	2.5
158.07295	10.3
159.08040	61.3
159.11687	5.2
161.05937	8.5
161.09575	19.7
165.99344	9.7
169.10060	3.2
170.49515	2.3
171.07933	2.7
171.11707	3.0
173.09566	15.6
173.13217	2.4
174.06754	4.1
175.07597	4.8
180.00861	5.0
181.10110	2.7
183.03238	4.6
184.00406	31.3
185.09676	3.7
185.13185	2.2
189.09050	12.9
197.01149	14.5
198.01950	55.2
199.02725	46.4
199.11169	3.7
199.14835	3.7
200.11938	11.1
201.04306	12.2
202.01518	11.6
207.03227	11.9
209.04774	4.1
215.05862	5.5
215.14302	23.7
216.02936	19.5
217.03777	24.9
222.02051	8.7
225.04285	20.9
233.04974	2.8
235.02765	2.5
235.06366	5.1
237.04297	26.4
245.04956	3.7
253.07452	11.8
255.05226	21.8
258.26807	3.3
262.05151	2.8
263.05927	5.3
283.08432	2.8
287.09491	3.4
302.29565	14.8
305.10492	4.7
307.11948	2.6
323.11411	3.1
364.33072	28.8
365.33783	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	365.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01867	1.5
55.05506	4.5
56.96540	2.0
57.03408	1.2
59.04987	1.1
59.29626	0.8
61.02896	1.5
65.03931	1.4
66.21786	0.9
67.05493	17.1
68.05000	1.2
69.03410	6.6
69.03979	1.0
69.07056	2.5
71.04981	6.5
78.38985	0.9
79.05474	15.2
80.04979	1.4
80.82930	1.1
81.03391	1.9
81.07027	12.6
83.04967	7.7
84.04499	2.0
85.02892	16.5
86.03223	2.0
87.04446	4.1
90.42646	0.9
91.05460	35.8
91.06004	1.7
92.05784	1.9
93.03380	4.2
93.07031	26.8
94.03709	1.2
94.06561	1.0
94.07415	1.0
95.01325	1.1
95.04951	2.5
95.08572	12.4
96.08941	1.3
97.02894	4.1
97.06519	4.6
98.06040	4.1
98.97565	1.8
99.04408	1.7
100.02164	8.2
105.07005	5.3
106.07381	1.3
107.04929	5.1
107.08564	12.2
108.04469	42.4
108.05209	1.4
108.08942	1.3
110.06033	2.5
111.04420	26.8
111.08061	1.7
112.04765	5.1
115.03910	1.2
116.01662	2.2
116.98626	1.7
117.07037	1.0
119.08565	1.5
120.04429	2.2
121.06481	2.2
121.10124	38.7
122.02369	100.0
122.05993	5.3
122.10462	2.5
123.08026	4.4
123.11691	2.3
124.03941	7.2
124.07549	5.6
125.05961	10.6
126.03753	1.1
127.03885	1.1
131.08536	2.0
133.06450	4.0
137.05937	8.9
138.05441	2.1
138.06367	2.2
139.02081	2.2
139.06465	2.1
139.11182	11.1
140.03401	3.8
140.07018	6.6
144.01155	1.3
145.04990	1.4
148.03915	8.4
149.09607	14.2
150.05501	5.8
150.09988	3.7
152.03419	1.4
152.07071	9.7
154.04964	1.4
157.12257	1.8
162.02190	1.3
164.03415	4.6
165.03705	14.3
166.03542	1.7
166.04956	31.5
167.10655	45.4
168.06505	23.6
168.11012	15.4
170.08099	16.7
178.07062	1.1
182.04448	63.4
183.05244	10.8
185.08102	1.5
185.11757	8.5
186.12007	1.8
196.06027	67.3
201.04521	1.1
203.04861	5.6
203.12723	8.0
206.06354	1.4
237.02821	1.5
249.02748	1.3
315.09448	1.4
319.15125	1.4
333.10785	27.7
365.15369	20.9
388.15988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82050	2.5
57.03421	2.5
70.06541	2.0
73.21516	2.0
77.39319	1.9
82.62888	2.1
83.96909	2.0
84.04471	3.5
85.02901	2.6
88.52699	2.4
97.02940	3.0
104.20802	2.1
153.90088	2.3
179.44659	2.3
179.46323	2.5
185.04193	23.3
203.03363	4.1
203.05222	85.7
215.89485	2.6
257.71338	2.2
365.10321	100.0
387.69025	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	364.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80450	0.8
52.52322	1.0
53.03931	5.0
55.01860	5.2
55.05500	5.5
57.07072	2.0
67.05492	15.6
69.03420	3.7
69.06738	1.1
69.07056	11.5
71.04969	2.0
79.05478	33.9
81.07041	100.0
83.04955	1.5
85.06538	10.6
85.93650	0.8
89.06004	1.0
91.05459	22.6
93.07024	55.3
94.07753	1.0
95.04949	9.7
95.08598	14.5
97.02866	1.6
105.07017	50.0
107.08586	38.2
109.06527	7.7
109.10143	14.3
110.02118	0.9
111.04426	16.5
111.08072	11.1
117.07005	5.9
119.08566	24.4
121.06494	7.1
121.10150	10.1
123.08031	9.5
123.11697	8.4
127.07523	3.4
128.06155	1.3
129.06978	1.1
131.08516	5.5
133.10109	34.5
135.08008	10.7
135.11676	6.9
137.09634	1.0
143.08537	5.6
145.06534	1.1
145.10106	8.5
146.07245	6.9
147.11674	14.6
149.09566	1.1
149.13231	4.1
151.11171	4.8
159.11673	5.7
161.09587	24.9
161.13210	4.7
163.11197	2.2
166.06577	1.2
175.14830	1.8
177.12720	1.4
177.16490	1.1
179.10649	32.3
201.16422	6.8
203.17946	13.9
219.17371	8.9
228.02293	1.3
244.97260	1.2
268.11316	0.9
276.47229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67464	0.8
53.03938	5.9
54.81870	1.1
55.01867	1.3
55.05510	10.4
57.03426	1.4
57.07063	4.8
59.04988	3.8
67.05499	12.6
69.07060	8.8
70.06580	7.1
77.03885	0.9
79.05478	29.9
81.07043	44.0
83.08636	1.3
84.08138	1.4
89.40942	1.0
91.05463	32.8
93.07028	99.4
95.04957	9.3
95.08582	15.4
97.06525	3.7
97.09542	1.2
105.04561	1.2
105.07015	28.5
107.04950	19.2
107.08583	100.0
109.06522	6.8
109.10158	11.3
112.83424	1.0
113.62183	1.0
115.05441	1.4
117.07000	3.6
117.50160	1.0
118.04134	1.7
119.06094	1.3
119.08550	8.6
120.05746	1.4
120.09309	1.6
123.04460	1.7
123.11715	1.7
124.05225	1.1
126.78407	1.0
133.06476	7.7
133.10086	1.8
135.04329	1.2
135.08014	6.9
135.11678	67.2
137.05965	4.3
147.11589	1.0
150.06743	1.9
151.07579	1.4
152.14316	1.9
153.12767	1.3
161.09694	1.0
163.07516	13.4
164.44371	0.9
165.09090	8.9
167.07010	27.2
171.08052	2.0
180.07764	4.0
191.10710	1.4
192.07811	5.6
193.08562	21.8
195.10138	11.8
213.12749	1.5
241.12204	5.3
273.14941	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.7
53.03924	4.0
55.01862	3.8
55.05508	8.1
56.94879	0.8
57.07048	1.9
65.03902	1.6
67.05498	12.3
69.03419	2.2
69.07053	8.3
70.58215	0.8
71.04961	1.9
79.05476	34.6
81.07041	100.0
83.08607	1.6
85.06527	10.9
86.45219	0.9
89.06015	1.3
91.05460	24.6
93.07026	52.0
95.04955	7.7
95.08572	13.8
97.02881	3.2
97.06493	1.3
105.04490	0.8
105.07018	46.3
107.08583	38.2
109.06493	6.2
109.10140	11.5
111.04433	17.1
111.08065	10.8
117.06989	4.3
119.08566	24.1
121.06487	5.7
121.10121	8.0
123.04385	1.9
123.08040	7.2
123.11713	7.6
127.07581	1.5
128.06197	1.8
131.08530	5.8
133.09200	1.4
133.10118	33.6
135.08026	7.9
135.11674	7.0
137.09654	1.0
143.08562	7.2
145.00142	0.9
145.10120	5.2
146.07253	4.9
147.11676	10.7
149.13219	3.3
151.11156	3.8
159.11655	5.5
160.12617	0.9
161.09601	26.4
161.13205	5.3
163.11115	1.4
175.14774	1.7
177.12723	1.6
177.16258	1.2
179.10634	35.0
183.32104	1.1
191.17789	1.3
201.16385	5.3
203.17934	16.2
219.17307	8.9
293.26337	1.0
327.66238	1.0
344.06219	1.0
359.21613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51875	1.2
53.00301	2.3
53.03936	2.5
55.01871	1.5
55.05507	14.3
56.79719	0.9
57.07072	1.8
59.04994	7.6
61.94170	0.9
67.05497	11.6
67.77748	1.1
69.07061	18.1
71.04978	51.7
73.06528	11.7
73.13618	1.0
79.05479	27.8
81.07043	100.0
83.04959	1.8
83.08602	2.4
83.95683	1.1
85.06520	1.2
91.05468	18.3
93.07030	69.3
95.04960	4.7
95.08584	17.8
97.06518	7.1
103.05454	5.8
105.07005	10.2
107.04944	2.4
107.08580	61.9
109.06513	4.5
109.10120	12.8
109.70125	1.1
111.08086	1.6
119.08524	2.3
123.11648	1.7
131.04895	1.4
135.08087	2.0
135.10651	2.2
135.11676	57.7
135.12682	2.5
145.10146	1.2
147.08093	1.4
153.12732	69.4
154.06215	15.7
154.13081	1.1
159.02875	1.1
163.07512	10.4
170.15292	1.3
172.48611	1.1
192.07779	2.2
195.10176	13.4
207.10239	2.0
341.03830	1.1
389.57349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	4.5
53.03944	4.8
55.01883	1.0
55.05503	13.4
55.27951	0.8
57.07062	2.1
59.04991	7.7
65.03930	1.3
67.05495	11.1
69.03409	7.9
69.07059	17.6
69.75975	0.9
70.03764	1.8
70.92534	1.0
71.04980	48.2
73.06542	13.8
79.05475	32.0
81.07043	100.0
82.07365	1.9
83.08598	2.6
85.06525	1.3
90.33492	1.1
91.05466	17.5
93.07027	68.0
95.04973	6.4
95.08584	14.4
97.06501	7.9
103.05510	1.1
104.26768	1.2
105.07018	11.8
107.04937	22.6
107.08581	59.3
107.74913	1.1
109.06519	6.3
109.10151	12.1
110.06885	2.1
111.04429	1.2
111.08073	2.1
119.08546	1.7
123.11694	2.3
133.10132	2.3
135.08054	7.2
135.10652	2.2
135.11678	54.5
151.11165	1.5
152.11505	1.4
153.12733	69.3
153.13974	2.4
163.07487	12.3
167.06985	1.8
170.15381	1.1
180.07854	1.7
192.07745	1.3
195.10168	16.0
197.70183	1.1
207.10164	2.0
313.26044	1.2
319.12122	1.3
343.58246	1.2
368.46759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80968	3.0
54.81289	2.7
55.05505	5.7
56.94281	2.3
57.07079	2.8
58.26499	2.0
62.43593	2.4
65.84693	2.6
67.05466	10.8
69.07062	3.1
70.06567	11.1
79.05467	18.4
81.07037	3.3
83.08605	6.5
85.06529	100.0
89.22853	3.0
91.05466	25.0
93.07022	50.6
102.79066	2.8
103.05463	3.8
105.07014	23.5
107.04939	65.0
107.08592	49.4
109.06463	3.3
109.10172	4.6
112.02937	3.4
115.05421	4.2
133.06424	3.1
133.10162	4.2
135.08054	18.5
135.11664	30.3
137.05940	3.1
140.24316	3.0
151.28404	2.6
159.75824	2.7
163.07509	53.2
167.07037	4.9
188.64783	2.9
193.08569	11.2
195.10133	61.3
253.58488	2.6
287.59213	2.8
351.93146	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	364.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76832	2.0
55.05509	4.4
57.07058	1.9
57.30344	1.9
65.70718	2.6
67.05497	8.5
69.07082	2.4
69.07530	2.2
70.06588	3.5
71.68056	2.0
75.18536	2.4
76.56743	2.4
79.05461	20.9
81.07037	29.1
91.05470	26.2
93.07022	81.9
95.04923	3.8
95.08598	14.6
99.61174	2.3
103.05441	2.6
105.07037	16.5
107.04932	4.2
107.08579	100.0
109.10149	9.8
119.08535	10.6
133.06485	3.2
135.08049	3.3
135.11668	52.0
135.99788	2.5
136.12177	2.3
154.06262	13.0
163.07530	3.0
175.36162	2.4
180.77200	2.1
193.08661	3.8
195.10182	10.0
360.52133	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	364.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.8
56.91192	1.7
57.07075	3.1
63.70052	1.8
67.05482	4.6
69.07055	3.1
69.50787	1.5
70.06589	13.5
71.04979	1.8
79.05473	13.9
81.07043	3.3
83.08590	8.1
85.06535	100.0
88.51025	1.8
91.05467	23.3
93.07030	64.0
95.04967	2.2
103.05470	10.1
105.07018	12.8
107.04946	14.8
107.08595	59.9
109.10140	4.4
119.08576	2.4
121.06560	2.0
131.04959	2.0
131.08562	2.2
133.06462	3.8
135.08032	14.3
135.11687	37.4
139.03900	3.8
154.06232	60.6
163.07524	29.5
165.39967	1.9
193.08646	7.5
195.10139	49.7
198.39796	2.2
231.62627	2.1
231.65016	1.8
319.48047	2.2
361.27277	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37825	1.2
54.81869	1.4
55.01864	11.9
55.05514	9.2
57.03426	5.1
67.05492	6.9
69.03416	7.5
69.06710	1.7
69.07054	26.3
71.04978	33.0
76.83818	1.3
79.05470	16.1
81.07050	11.9
81.35263	1.4
83.04967	9.9
83.98109	1.2
85.02900	17.2
85.06521	5.7
87.04448	37.7
91.05464	7.6
93.07021	34.0
95.04947	1.7
95.08588	14.0
96.26187	1.2
97.02876	2.8
97.06512	98.1
99.04445	2.9
105.07021	7.6
107.04846	1.4
107.08589	41.2
109.06526	5.4
110.07313	1.5
111.04446	2.5
113.05993	37.2
115.03921	15.3
119.04937	3.1
119.08555	1.4
121.10124	41.8
122.34178	1.3
123.08038	5.9
125.05966	8.1
125.09621	17.1
131.08594	6.1
139.11156	95.2
147.04417	11.0
149.09630	25.2
167.10646	100.0
185.11703	31.3
200.77438	1.3
251.26492	1.3
261.81558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
54.81441	0.4
55.01856	2.2
55.05508	4.8
57.03432	3.9
57.07062	1.0
57.08523	0.4
57.55605	0.4
59.04981	2.0
60.93418	0.5
61.02905	2.5
67.05499	6.0
69.03414	7.4
69.07055	2.0
71.04977	17.1
73.02866	0.8
75.04464	5.4
77.23228	0.5
79.05053	0.9
79.05475	16.7
81.03391	3.3
81.07039	29.2
83.04961	2.1
85.02888	16.3
85.06487	0.8
85.16245	0.5
87.04453	2.1
91.03922	0.7
91.05459	11.2
93.07022	68.2
95.04956	4.9
95.08586	9.1
97.02860	4.7
97.06526	4.8
99.04408	2.3
103.05446	1.0
104.05737	0.6
105.07010	12.2
105.07676	0.9
107.04931	2.1
107.08583	12.3
109.02851	0.8
109.06505	6.3
111.04395	2.3
111.08030	6.2
113.05994	2.8
119.08543	3.3
121.06511	7.0
121.10119	100.0
123.08048	3.5
123.11679	12.0
125.05968	8.4
125.09600	0.8
127.03883	1.2
131.04901	2.0
131.08531	7.3
132.05225	1.1
133.07607	2.1
137.05933	3.7
138.06306	0.7
139.11151	22.2
145.04964	2.7
149.09589	16.7
151.07571	0.8
161.25584	0.5
163.07501	2.6
167.10646	34.2
177.09064	8.0
178.09441	7.8
185.11705	16.9
202.14249	0.7
363.19797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01851	1.3
55.05486	1.4
57.03413	3.7
59.04984	1.9
61.02908	1.3
67.05492	5.3
69.03410	6.5
69.07051	3.1
73.02906	0.9
75.04456	1.8
79.05473	14.3
81.03369	1.2
81.07039	36.0
83.04955	1.7
85.02885	12.5
85.06526	0.8
91.05462	7.0
91.75920	0.8
92.08648	2.5
93.07024	67.4
95.04953	3.3
95.08590	11.9
97.02855	1.5
97.06506	5.5
99.04437	1.3
105.07008	9.5
107.04984	1.2
107.08574	11.0
109.06499	5.1
111.04448	3.1
111.08088	3.9
119.08585	1.7
119.30693	0.9
121.06481	1.9
121.10122	100.0
123.08056	3.9
123.11682	18.3
125.05951	6.7
131.08540	4.5
135.11559	1.1
137.05904	1.3
139.11168	11.5
149.09596	14.1
167.10634	30.7
185.11621	5.6
279.89719	0.8
288.82764	0.8
329.16153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71433	0.4
53.03935	0.8
54.78667	0.5
55.01863	0.7
55.05498	0.9
57.03428	2.7
57.07073	1.1
59.04985	3.0
61.02915	2.6
67.05494	3.5
69.03423	4.0
69.07063	0.7
71.04990	1.3
73.02900	0.9
75.04469	2.9
76.20069	0.6
79.05477	13.1
81.03412	2.3
81.07043	23.3
83.04959	1.2
85.02892	12.9
85.06523	0.7
85.20668	0.5
87.04454	0.8
91.03938	0.7
91.05458	6.1
93.07024	44.1
95.04940	1.4
95.08585	13.1
97.02871	6.2
97.06528	2.3
98.97545	0.6
99.04456	0.9
105.07028	11.9
107.04983	1.1
107.08585	15.5
109.06479	4.0
111.04422	2.9
111.08082	3.0
113.39773	0.6
119.08571	2.7
121.06497	4.0
121.10123	100.0
123.08063	4.0
123.11700	12.5
125.05965	9.9
125.09602	0.7
127.03898	2.4
131.04953	0.6
131.08554	2.6
134.16962	0.6
139.11166	14.5
145.04967	1.0
149.09601	16.7
167.10643	34.4
185.11685	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	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01862	0.4
55.15810	0.2
56.96553	0.4
57.03421	0.5
57.83378	0.2
58.96235	0.2
61.02907	0.9
61.77692	0.2
67.05489	0.3
69.03416	2.3
71.92037	0.2
73.02892	0.4
78.04700	2.2
79.05476	2.5
79.34576	0.2
81.03400	1.1
81.07022	0.3
85.02892	6.0
91.05457	1.1
93.07030	2.7
95.04942	1.3
95.08609	0.3
96.05709	0.2
97.02867	2.2
97.13684	0.2
98.97580	0.3
103.05449	0.9
105.07001	0.4
106.04148	1.6
107.04945	2.0
107.08620	0.3
107.17707	0.2
109.02901	0.4
109.06523	0.3
119.04919	0.4
121.06519	1.4
122.03539	0.2
123.03519	0.4
123.04406	7.1
123.08058	0.2
124.05202	2.8
127.03905	0.8
131.04883	0.3
134.03600	0.4
137.05946	1.1
139.07507	0.3
140.04662	1.3
142.50586	0.2
145.04944	0.3
149.05934	1.1
151.03900	0.9
152.04675	2.3
155.06979	1.2
156.10165	0.8
166.04974	0.3
167.07007	100.0
170.05695	0.8
184.09662	1.2
185.08047	0.4
194.04410	0.2
202.10695	0.3
347.00256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01849	2.3
55.05499	2.4
57.03434	8.5
59.04988	7.5
59.52766	0.9
61.02908	7.1
67.05486	2.5
69.03421	14.4
69.07052	4.6
71.04982	10.5
73.02892	1.0
75.04453	4.5
75.08556	1.1
79.05482	23.5
81.03387	4.7
81.07037	61.7
83.04967	2.3
85.02892	47.3
87.04447	1.5
90.21880	0.9
91.05467	23.2
92.05710	1.1
93.07025	43.0
94.04179	1.7
95.04952	8.3
95.08601	9.8
97.02881	11.6
97.06527	5.9
99.04460	1.5
105.07017	18.1
107.04918	9.7
107.08582	37.7
109.02838	4.8
109.06506	86.8
109.10132	2.8
111.04424	2.0
111.08042	1.6
119.08578	2.7
121.06472	19.2
121.10120	36.2
123.08038	6.4
125.06001	8.7
125.09615	8.4
127.03895	10.6
127.07526	2.1
131.08522	12.3
137.06007	3.8
137.09561	1.7
139.07510	6.4
139.11179	6.8
145.04947	5.8
147.04408	1.4
149.09601	100.0
153.05475	1.9
159.49425	1.2
165.09071	2.7
166.09424	1.6
167.07016	4.4
167.10657	46.6
185.08083	6.8
185.11696	36.0
293.67523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01856	2.5
55.05500	2.2
57.03424	3.5
57.07057	0.8
59.04984	0.8
61.02919	4.7
65.03919	1.2
67.05143	0.8
67.05493	23.9
69.03419	9.0
69.07044	2.6
71.04964	2.6
73.02893	1.9
79.05471	16.5
79.05906	0.9
81.03397	4.3
81.06599	0.8
81.07039	15.9
83.04962	9.8
85.02890	26.2
86.03217	0.6
87.04445	2.1
91.05463	9.7
93.03374	4.6
93.07024	24.3
95.04948	2.0
95.08587	11.5
97.02867	7.8
97.06508	6.4
98.97554	0.6
99.04446	1.0
103.05451	0.7
105.07014	6.3
107.04943	6.8
107.08587	11.4
108.04444	3.3
109.02832	1.0
109.06491	2.7
109.10142	0.8
111.04427	56.7
111.08089	0.9
118.06165	0.5
119.08533	0.7
121.06466	6.3
121.10117	40.3
122.02364	9.2
123.04386	0.7
123.08039	4.6
123.11664	3.0
125.05971	19.3
125.09605	1.1
127.03872	4.3
131.08514	2.8
133.06459	2.2
134.06824	0.7
135.07999	0.8
137.05956	4.8
138.06296	2.4
139.06473	1.2
139.07524	1.0
139.11128	5.4
145.04936	4.4
149.05989	5.0
149.09601	23.6
152.07013	0.6
155.10629	0.7
163.06067	0.6
163.07466	0.6
164.03433	0.5
165.04106	0.6
166.04990	2.9
167.06958	3.9
167.10643	100.0
168.06534	2.2
170.08049	0.8
182.04391	5.7
183.05249	0.7
184.31580	0.4
185.08066	10.4
185.11667	4.3
196.06020	5.5
240.24435	0.5
311.14832	1.0
329.15857	0.6
333.10739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01862	1.0
55.05508	9.2
56.96539	0.8
57.07078	4.4
59.04970	1.2
63.52178	0.5
67.05490	13.1
69.03417	1.1
69.07056	24.2
69.54312	0.5
71.04981	1.2
71.08613	1.0
79.05474	8.8
81.07038	100.0
83.04991	0.6
83.08595	5.9
83.18115	0.7
85.06525	5.3
91.05476	4.6
93.07024	18.0
95.04951	0.8
95.08585	50.4
97.06516	3.0
97.10141	2.9
99.08064	3.1
100.16498	0.6
105.07023	7.7
107.08575	15.1
109.06521	1.0
109.10142	14.9
111.08064	8.9
111.11710	9.8
118.56102	0.5
119.08576	3.5
121.10117	11.2
123.11676	9.7
125.09619	0.7
133.10138	3.2
135.11676	4.9
137.13229	24.1
137.14232	1.1
139.11134	2.9
145.10040	0.7
146.10405	0.5
147.11693	3.8
149.13222	11.0
153.12755	3.0
155.14253	9.1
161.13260	1.0
163.14749	2.9
165.12714	1.1
167.06970	1.1
167.14297	1.3
171.13806	0.6
173.15337	5.7
177.16322	2.4
183.17606	0.7
204.51611	0.5
273.25778	2.4
279.26526	0.7
291.26587	5.2
309.27811	3.3
363.17740	1.0
368.80640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05493	3.5
57.03426	30.5
59.04993	2.2
61.02906	8.7
66.80103	1.8
67.05480	9.1
69.03423	23.3
69.07063	3.0
71.01316	2.2
71.04980	4.1
73.02902	44.4
75.57027	2.0
77.35953	1.9
79.05466	27.0
81.03407	8.0
81.07040	45.1
83.04948	3.0
85.02888	44.7
87.04449	2.1
91.05448	18.1
92.09322	6.2
93.07027	29.0
95.04955	8.5
95.08593	34.0
97.02874	35.6
97.06519	17.1
99.04462	2.4
103.05449	2.1
104.61355	1.7
105.07018	74.0
107.04916	18.2
107.08571	12.7
109.02864	2.0
109.06497	13.7
111.08064	18.7
112.88670	1.8
115.03915	9.6
117.70715	1.9
119.08542	3.4
121.06494	4.2
121.10123	20.3
123.04431	2.6
123.08050	84.7
125.05985	37.3
125.09599	8.7
127.03845	2.6
131.08568	9.4
133.06473	18.6
137.05959	3.1
138.09987	2.2
139.11143	2.3
141.09085	58.2
143.06998	23.9
149.05960	2.9
149.09592	12.7
151.07516	40.6
153.05446	4.0
167.06993	17.1
167.10617	14.2
169.08565	70.8
169.09924	3.8
176.53142	2.2
179.07030	7.7
185.08086	11.0
185.11664	4.2
187.09624	45.7
197.08116	4.9
215.09123	100.0
233.10139	8.3
243.50853	2.2
252.03351	2.1
278.01920	2.3
294.42960	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	363.2527
Annotation	Gibberosene D
Peak:m/z	Relative Intensity
51.02371	0.6
53.00301	0.6
53.03934	5.4
55.01867	9.1
55.05504	11.1
55.18307	0.5
57.03437	1.2
57.07070	0.8
57.08352	0.6
65.03916	0.7
66.83891	0.5
67.05494	9.1
69.03419	3.3
69.07056	5.5
71.04991	0.9
77.03912	0.8
77.31841	0.6
79.05473	18.3
80.66044	0.5
81.07037	31.8
83.04981	2.3
83.08603	3.7
85.06528	3.0
86.70060	0.6
86.70610	0.6
88.07603	1.3
91.04884	1.3
91.05463	40.5
93.07022	100.0
95.04945	15.9
95.08566	8.6
96.05724	2.3
97.06503	2.9
105.04499	3.6
105.07008	13.1
107.08577	12.7
109.06503	5.8
109.10136	3.5
111.08065	27.6
117.07020	2.5
118.98206	0.5
119.08569	6.8
121.06477	1.3
121.10091	4.1
123.08063	3.0
123.11676	0.6
129.06987	2.1
131.08522	4.7
133.10107	3.7
135.08043	1.3
135.11664	2.3
141.47566	0.6
143.08600	1.2
145.10144	6.4
147.11688	1.0
149.09564	0.6
151.11139	0.9
157.10161	1.0
159.11676	3.4
161.13284	0.8
163.11197	0.7
165.12798	0.7
169.10216	0.6
173.13197	0.8
193.12270	0.9
201.12862	0.7
201.16412	0.9
270.27933	0.7
362.32538	2.4
363.32932	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	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	3.9
55.05497	11.2
57.98331	2.5
59.04974	4.4
67.05492	25.2
69.03424	13.9
69.07046	17.2
71.04980	6.2
79.05465	27.5
81.07037	100.0
81.33084	2.6
83.04975	5.6
91.05463	43.4
92.09318	9.3
93.07024	68.8
95.04935	18.8
95.08571	19.5
97.06509	3.6
99.08058	5.9
103.05456	6.1
105.07016	57.4
107.04950	3.9
107.08570	45.5
109.06503	23.8
109.10146	25.4
111.08038	4.4
115.05409	4.9
117.06992	3.7
118.04120	14.5
119.08571	15.3
121.06506	6.7
121.10120	11.6
123.08002	12.3
123.11697	24.2
124.05232	4.3
131.04903	4.2
131.08522	5.2
133.06476	25.0
133.10104	24.8
135.08025	12.4
135.11671	4.7
145.10086	3.7
146.36362	3.2
147.08015	5.6
150.06702	6.8
151.07495	4.9
151.11203	25.0
153.95398	2.7
161.05978	4.0
165.09081	21.1
169.12144	4.3
175.07509	4.7
175.11095	2.9
192.07721	4.9
193.08566	50.1
195.10144	3.4
207.10158	11.7
219.17441	4.6
331.85541	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	363.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01870	9.6
55.05508	12.2
57.03437	1.6
61.28341	0.7
65.03928	0.9
67.05498	11.3
68.70325	0.7
69.03428	4.1
69.07057	7.1
69.95564	0.7
71.04969	1.3
75.96515	0.8
76.25867	0.7
79.05473	19.2
80.61460	0.8
81.07040	38.0
83.04975	3.3
83.08611	4.6
85.06527	3.3
88.07639	1.3
91.04886	1.3
91.05464	41.4
93.07025	100.0
95.04952	15.7
95.08565	7.3
96.05738	1.4
97.06522	1.7
105.04514	1.4
105.07020	18.9
107.08585	15.1
109.06528	6.3
109.10159	4.3
111.08062	27.4
117.07020	4.9
119.08562	8.8
121.06487	1.1
121.10160	3.8
123.08073	3.4
123.11653	1.5
124.58655	0.9
125.09626	6.5
126.03992	0.9
127.07565	1.9
129.06993	1.2
131.04942	1.1
131.08568	6.6
133.10124	5.2
133.46982	0.9
135.08075	1.5
135.11684	1.6
139.07451	0.8
142.07747	0.8
143.08508	1.5
145.10107	6.8
147.08057	0.8
147.11699	3.0
151.11208	4.1
155.08563	1.3
157.10123	1.5
159.07990	0.8
159.11644	3.5
161.13261	1.0
162.94368	0.7
173.09660	0.9
173.13243	2.0
183.11635	0.9
201.16301	1.2
257.18756	0.9
285.22079	1.3
340.20215	1.4
363.32819	1.1
386.16367	0.9
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
53.03938	4.6
55.01868	3.9
55.05497	11.2
57.98331	2.5
59.04974	4.4
67.05492	25.2
69.03424	13.9
69.07046	17.2
71.04980	6.2
79.05465	27.5
81.07037	100.0
81.33084	2.6
83.04975	5.6
91.05463	43.4
92.09318	9.3
93.07024	68.8
95.04935	18.8
95.08571	19.5
97.06509	3.6
99.08058	5.9
103.05456	6.1
105.07016	57.4
107.04950	3.9
107.08570	45.5
109.06503	23.8
109.10146	25.4
111.08038	4.4
115.05409	4.9
117.06992	3.7
118.04120	14.5
119.08571	15.3
121.06506	6.7
121.10120	11.6
123.08002	12.3
123.11697	24.2
124.05232	4.3
131.04903	4.2
131.08522	5.2
133.06476	25.0
133.10104	24.8
135.08025	12.4
135.11671	4.7
145.10086	3.7
146.36362	3.2
147.08015	5.6
150.06702	6.8
151.07495	4.9
151.11203	25.0
153.95398	2.7
161.05978	4.0
165.09081	21.1
169.12144	4.3
175.07509	4.7
175.11095	2.9
192.07721	4.9
193.08566	50.1
195.10144	3.4
207.10158	11.7
219.17441	4.6
331.85541	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	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04092	2.4
51.84767	2.1
53.00302	3.6
53.03926	4.2
53.11649	2.1
53.74091	1.9
55.01850	5.9
55.05492	13.8
57.03411	2.6
57.07056	5.1
59.04978	14.9
63.02707	2.3
67.05498	38.7
67.89328	2.4
69.03397	3.4
69.07047	15.2
71.04983	57.1
79.05490	24.8
80.06250	2.7
81.07042	100.0
85.06519	3.4
91.05463	29.2
93.07024	54.8
95.04939	18.5
95.08566	20.1
97.06478	5.8
99.08039	3.5
103.05434	13.6
105.07017	36.1
107.04910	10.2
107.07872	3.3
107.08585	74.6
109.06498	29.8
109.10145	79.8
111.08070	13.4
117.07024	5.0
118.04145	6.4
119.08560	11.0
121.06448	10.3
121.10122	5.4
123.08018	3.6
123.11687	73.6
124.05196	3.5
125.09696	2.9
131.04903	4.5
131.08488	4.7
133.06479	19.4
133.10104	22.7
135.08055	11.1
135.11681	11.2
145.10139	3.9
147.08020	4.6
147.11833	3.3
150.06740	10.8
151.07535	4.2
151.11166	96.0
154.06256	2.7
161.06001	5.4
163.07590	3.1
165.09085	12.1
169.12198	42.1
173.99997	2.7
175.07448	3.0
180.07811	16.0
192.07774	23.4
193.08646	27.1
195.10133	11.7
207.10126	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	363.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01863	17.9
55.05511	22.1
56.96566	4.2
57.03433	4.2
57.07060	5.8
67.05495	41.7
69.03422	4.2
69.07054	41.9
71.04970	14.8
79.05492	14.3
81.07043	80.4
83.04949	6.2
83.08588	4.5
85.02895	3.3
85.06531	23.2
91.05460	11.9
93.07038	30.8
95.04971	3.5
95.08588	100.0
98.97570	3.7
99.04412	3.2
99.08117	2.6
100.11238	6.0
103.05440	4.7
105.07013	44.5
105.83653	2.5
107.08571	52.2
109.06521	15.3
109.10146	91.8
113.05975	15.8
117.07034	3.2
119.08573	10.3
121.02903	2.7
121.10130	11.3
122.03623	4.7
123.08041	3.7
123.11663	5.6
125.09607	64.0
127.07513	10.9
131.04903	4.1
133.06500	3.9
133.10112	3.6
135.08060	5.6
137.05966	59.2
137.13229	37.6
140.36475	2.6
147.11671	47.4
163.07498	11.7
165.12720	63.7
167.07013	16.1
167.58972	2.9
183.13786	80.7
298.22104	2.7
316.11487	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	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
54.81388	0.6
55.01860	1.5
55.05518	4.7
55.48374	0.6
57.03437	0.8
57.07065	1.7
58.08434	0.6
62.04738	0.6
64.33157	0.7
67.05491	16.5
69.07053	4.4
70.67145	0.6
71.04980	31.9
71.05375	1.1
71.08618	42.6
79.05469	3.3
81.06595	1.2
81.07041	24.1
83.04969	1.3
83.08630	0.7
85.02892	1.4
85.06522	1.5
91.05475	6.8
93.07031	5.6
95.04938	1.1
95.08578	4.1
99.08082	28.7
104.83304	0.7
105.06997	5.2
107.08585	6.9
109.10161	9.5
113.09613	0.8
119.08571	0.8
121.06506	0.9
123.11712	3.6
131.08543	1.5
132.23065	0.7
133.10100	7.3
141.12729	100.0
142.13066	0.7
145.10144	1.4
151.11163	3.0
154.06277	2.5
163.07507	1.2
169.12209	23.5
195.10112	1.4
225.54774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
53.03926	1.6
55.01863	3.3
55.05510	14.3
57.03423	3.2
57.07073	1.5
65.03925	0.9
67.05495	13.7
69.03420	88.4
69.07040	1.7
70.79628	0.7
71.04981	14.8
79.05466	7.3
81.07043	58.0
83.04967	3.2
91.05475	11.9
93.06138	0.8
93.07027	26.8
94.04170	1.3
95.04951	19.6
95.08593	7.2
96.05722	5.1
96.45024	0.7
97.06506	7.5
99.82037	0.8
105.07014	23.5
107.04939	1.6
107.08581	30.0
109.06507	56.6
109.10133	11.4
123.08047	10.8
123.11686	19.2
131.08620	0.9
133.10121	15.9
151.11171	100.0
154.06200	1.4
175.31166	0.8
181.44380	0.8
195.10179	1.2
362.21597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.4
55.01867	3.6
55.05506	12.5
57.03439	1.5
57.07061	1.7
61.61412	0.7
65.03931	1.0
67.05489	17.3
69.03417	94.5
69.07050	5.4
71.04976	12.5
79.05481	9.4
81.07040	64.7
91.05451	10.6
93.07027	28.9
94.04182	1.3
95.04955	20.9
95.08584	8.2
96.05738	4.5
97.06502	11.2
100.75031	0.8
105.06358	1.5
105.07017	22.9
105.07663	1.3
107.04932	3.9
107.08582	31.4
109.06508	59.4
109.10155	13.0
112.72537	0.7
121.10151	1.1
123.08054	12.0
123.11690	20.9
124.07565	0.9
131.08516	1.7
133.10104	17.4
135.08069	0.9
151.11165	100.0
152.11490	1.0
163.07542	1.7
176.80972	0.8
178.09166	1.0
195.10141	1.6
258.10300	0.8
262.05893	0.9
285.18747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13340	0.2
55.95382	0.2
56.56646	0.2
57.84185	0.2
64.82685	0.3
67.59816	0.2
71.64875	0.3
77.40913	0.3
79.05457	0.5
81.07047	0.4
85.98782	0.3
91.05457	2.4
93.06995	0.5
94.04151	0.6
95.04929	0.3
103.05447	11.5
105.07021	0.4
107.08590	0.4
109.06472	0.4
112.46655	0.3
115.05424	1.4
116.06210	0.4
116.75872	0.3
117.06998	4.3
118.27352	0.3
119.04930	1.4
121.06475	1.8
122.03665	2.4
122.82295	0.3
123.08029	1.6
128.06198	0.5
131.04898	19.6
133.06563	0.3
134.07201	0.5
135.08028	1.3
137.05956	22.6
143.08502	1.0
145.06480	0.6
149.05945	0.4
151.07515	7.6
160.05165	0.4
161.05983	0.3
162.06764	3.8
163.07507	21.2
167.07048	0.4
171.08011	0.5
175.07483	2.1
177.09073	100.0
178.09416	0.5
181.43932	0.3
195.10196	3.5
203.10588	0.3
221.11659	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	362.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
55.01860	0.4
55.05501	0.3
56.96555	0.6
57.03425	0.7
60.69708	0.2
61.02904	1.5
67.05480	1.6
69.03414	2.9
71.04955	0.3
73.02882	0.5
77.39457	0.3
79.05466	1.1
81.03387	1.4
81.07053	0.6
83.04958	0.4
85.02892	11.2
86.09685	0.5
91.05469	2.6
93.07016	1.2
94.07330	0.4
95.04966	0.6
95.08598	1.0
97.02857	1.8
99.04422	0.4
105.03382	1.0
105.07014	0.6
107.04880	0.3
109.02855	0.6
109.06478	0.5
109.10147	5.5
117.07001	0.4
119.08521	3.4
121.06477	1.2
121.10147	0.3
123.04398	2.1
123.08018	1.8
127.03879	1.7
132.05696	0.5
135.04361	0.3
135.85361	0.3
137.05971	3.7
137.09579	6.7
147.08035	7.7
150.06685	0.4
153.45105	0.3
161.09570	0.5
163.03828	2.6
164.04187	0.4
165.09076	100.0
167.07022	2.3
168.07361	2.5
179.10634	0.4
180.08646	0.5
183.10129	4.0
189.09090	2.8
196.03574	0.3
200.09995	0.3
200.12750	0.4
201.09030	0.4
207.10115	0.4
231.10088	0.5
270.36258	0.3
291.12354	0.4
343.78363	0.3
362.18137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73543	0.3
53.03930	0.8
55.01859	1.8
57.03414	2.1
59.68165	0.3
61.02907	5.0
63.64116	0.2
64.19453	0.3
66.97516	0.4
69.03416	6.8
71.04983	0.6
73.02879	1.6
74.09702	1.3
79.05466	1.6
81.03407	3.8
83.01326	0.6
85.02889	30.3
87.04456	0.6
91.03941	1.4
97.02864	9.0
99.04416	1.3
102.98489	0.3
103.05454	0.7
105.07010	20.8
107.04916	0.7
109.02864	2.8
109.06460	0.4
115.03926	0.3
117.86410	0.3
119.08562	0.6
119.47308	0.3
122.03646	2.3
123.04405	3.5
124.05209	0.5
127.03912	2.7
133.06467	38.0
137.05952	100.0
138.06293	0.4
145.04964	2.7
146.42413	0.4
165.05429	1.3
165.09074	19.1
180.08669	1.8
183.06566	0.6
183.10132	21.2
194.80058	0.3
211.07549	0.4
235.07440	0.4
284.45911	0.4
333.06885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95090	0.4
51.06970	0.4
53.03929	0.9
55.01860	1.3
55.61231	0.5
55.63813	0.5
57.03418	1.3
57.50927	0.5
61.02902	3.4
69.03418	6.9
73.02904	1.1
75.77453	0.5
79.05463	0.9
81.03392	4.1
83.01350	0.5
85.02890	27.3
87.04414	0.6
91.03944	0.6
94.04207	0.6
97.02867	8.1
97.83530	0.6
99.04434	2.0
105.07012	20.7
109.02834	2.1
122.03564	0.8
123.04419	1.1
127.03870	3.4
133.06459	34.0
137.05954	100.0
145.04947	3.2
151.72012	0.6
165.09079	17.9
180.08667	0.9
183.10120	19.6
299.05173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.80924	0.9
55.01867	1.2
57.01952	0.7
57.03432	1.5
58.35397	0.8
59.46334	0.7
61.02917	4.1
62.96439	0.7
69.03416	8.0
69.82275	0.8
71.04980	1.0
79.05478	4.1
81.03400	3.9
83.39722	0.8
85.02892	28.4
91.03905	1.0
91.05477	1.5
97.02876	5.6
103.05421	1.2
105.07016	39.8
109.02832	1.1
109.06520	3.4
119.08521	1.0
122.03633	1.8
123.04442	1.9
124.05185	1.0
127.03887	3.1
133.06467	54.4
137.05957	100.0
145.04971	3.0
145.06577	1.0
165.09074	81.2
180.08511	0.8
183.10150	16.9
213.63129	0.9
315.00601	0.9
340.78610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81652	1.0
55.62897	0.8
63.86488	0.9
66.90520	0.9
69.07043	1.2
70.13476	1.0
81.03152	5.0
92.08572	1.9
93.07032	4.2
104.21574	1.1
107.08593	1.2
117.53245	1.1
121.82243	1.0
122.34457	1.0
133.06209	8.7
134.07007	6.2
139.86594	1.0
161.09349	13.5
177.08829	100.0
191.10413	3.9
192.11163	3.7
193.12012	8.7
222.77548	1.0
310.85342	1.0
325.21347	1.3
361.23599	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	361.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01860	0.7
55.05505	9.8
56.96563	0.7
57.03429	1.0
57.07068	4.9
59.04993	1.4
59.06117	2.5
59.96138	0.5
65.03941	1.1
67.05492	17.5
69.03417	1.4
69.07059	19.2
71.04987	2.1
71.26145	0.6
73.02901	3.4
79.05048	1.0
79.05481	17.0
81.03411	0.8
81.07042	100.0
83.04980	4.4
83.08608	6.0
85.06535	4.0
91.05466	18.6
93.06565	0.6
93.07027	25.0
95.04955	4.4
95.08588	47.4
97.02871	0.7
97.06522	1.5
97.10152	2.9
99.04405	0.6
99.08084	0.7
103.05418	0.8
105.07013	16.3
107.04933	1.4
107.08578	17.4
109.06502	4.5
109.10151	23.3
110.21725	0.6
111.04389	0.6
111.08054	1.5
111.11739	0.8
117.07023	2.7
118.04171	0.7
119.04911	0.7
119.08551	11.5
121.06467	1.5
121.10137	11.3
123.08064	1.4
123.11707	4.3
127.07548	2.4
129.06976	1.2
131.08565	4.8
133.06462	1.2
133.10127	6.0
135.08011	1.0
135.11682	11.8
137.05997	2.6
137.09621	1.2
137.13258	15.5
145.10121	4.6
147.11693	6.1
149.13261	2.8
150.06812	0.7
151.07457	0.7
151.11165	0.8
153.12703	0.7
155.14305	4.2
157.10149	0.7
159.10362	0.7
159.11696	3.5
161.09552	0.6
161.13234	1.0
163.07600	0.7
163.11191	0.9
163.14780	1.1
165.09125	1.5
165.12720	1.2
165.55302	0.6
167.07014	2.7
173.13142	0.8
173.15419	2.3
175.14793	1.3
179.07001	2.6
181.04977	4.6
181.08556	1.2
189.09029	0.8
189.16367	1.2
193.08618	0.7
225.08960	0.7
240.05724	0.7
271.24045	1.3
272.63220	0.7
289.25137	4.3
307.26282	5.5
361.20053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94091	0.4
53.03939	6.2
55.01857	3.2
56.96547	0.5
57.03426	4.6
60.69933	0.4
61.02919	4.9
65.03930	0.7
67.05488	1.1
69.03419	23.3
71.01340	0.6
71.04964	3.2
73.02910	3.9
79.05452	2.4
80.05005	0.6
81.02934	0.9
81.03405	27.7
81.07024	1.0
85.02895	43.2
91.05457	2.3
95.04938	3.4
97.02885	14.8
99.04457	5.2
103.03946	4.3
103.05451	0.7
105.07019	8.3
107.08572	1.0
108.02073	1.0
108.04455	5.7
109.02862	19.6
109.06470	0.7
109.10138	0.6
111.04428	2.0
115.05470	0.6
116.98523	0.5
119.08572	4.0
123.04404	3.2
126.05441	1.1
127.03892	17.0
131.04886	0.5
133.04970	0.8
133.06465	10.0
137.05972	19.0
137.09604	0.6
141.05409	0.8
145.04984	3.9
147.08061	12.3
151.03888	100.0
154.02585	1.0
165.05470	1.0
165.09088	28.1
165.10483	1.2
177.05362	0.7
181.04906	1.2
182.05200	0.8
183.06519	18.4
183.10098	2.0
187.05988	14.4
191.06941	0.5
193.04877	1.8
200.84995	0.5
203.07008	0.7
205.07076	3.4
207.06555	0.7
231.06528	4.1
248.66364	0.5
249.07675	0.7
300.05112	0.5
313.08969	0.6
324.69272	0.6
337.86353	0.6
362.19138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
55.01858	7.6
57.03427	7.6
59.46369	0.8
61.02911	8.2
67.05488	1.7
69.03415	39.8
71.01340	1.4
71.04969	8.4
73.02889	8.0
77.64118	0.8
79.05484	4.5
81.03399	41.4
81.07037	1.4
82.57330	0.9
85.02891	72.6
87.04445	2.2
91.03934	1.0
91.05470	2.2
93.07021	1.3
95.04966	5.0
95.08591	1.0
97.02866	25.8
98.06004	1.2
98.97506	0.9
99.04447	10.4
99.97314	0.9
99.98221	0.8
103.03905	7.9
103.05448	0.9
103.31575	0.8
105.07021	26.5
107.04923	1.2
108.02100	1.0
108.04485	9.0
109.02863	38.4
109.06506	1.8
111.04418	1.4
111.72284	0.9
117.38552	0.9
119.08582	5.3
121.06594	1.0
123.04417	4.7
123.08059	1.6
124.05125	1.6
126.05505	2.2
127.03882	29.1
133.02841	1.2
133.04965	1.2
133.06474	28.6
135.08025	1.5
136.07573	1.4
137.05954	58.7
137.09607	1.6
145.04933	8.8
147.08026	25.8
151.03883	100.0
153.09056	1.2
163.07497	1.2
165.05469	5.0
165.09076	82.2
167.07021	1.1
169.05009	1.2
170.99857	0.8
175.07399	1.2
177.05446	0.9
181.04955	1.6
183.06502	24.7
183.10095	1.7
187.05978	27.5
191.07092	3.5
192.07378	1.5
193.64766	0.9
203.07071	2.1
204.08653	1.2
205.07066	5.6
208.09743	1.7
209.10014	1.2
231.06514	11.2
249.07552	1.4
326.10861	1.1
362.12079	1.2
362.18640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	1.1
56.96555	21.4
56.96812	1.3
57.07015	5.9
58.06564	1.2
58.54920	0.5
58.75931	0.5
67.05453	1.0
69.07021	1.5
70.06577	12.5
70.69086	0.5
71.08562	2.1
71.95223	1.2
72.08087	0.7
77.06564	0.5
79.05418	2.3
81.07040	3.6
82.07328	0.6
84.08086	1.1
84.95970	2.2
86.09639	2.6
88.07610	4.2
91.05406	2.7
93.07023	5.2
95.08532	2.2
98.97562	30.9
102.09099	1.0
105.07008	3.7
106.07297	0.5
107.04884	2.4
107.08572	4.4
109.10080	1.2
116.98594	20.3
119.08505	1.1
121.06391	2.1
121.10041	2.1
131.08473	2.1
132.10201	4.5
133.10052	1.1
134.99634	10.0
135.11615	2.3
145.10051	2.1
146.11732	5.6
147.11620	1.1
149.09579	1.2
153.00681	1.6
161.13162	0.7
181.05238	0.8
191.07420	3.8
198.02147	0.5
205.05399	0.8
205.08905	0.5
205.15793	0.6
207.06912	1.1
209.04878	1.1
209.08453	14.4
211.06319	0.7
212.23569	0.7
215.10968	1.1
219.06953	0.7
221.08455	1.8
223.06480	4.0
223.10039	4.4
225.04262	0.5
225.07962	3.4
227.05832	0.5
227.09509	2.6
231.10512	1.0
233.08667	3.6
233.12086	27.6
235.09981	2.8
237.07973	2.4
239.05811	1.0
241.07344	2.1
241.11227	0.8
243.08833	0.6
245.08455	0.6
247.06285	1.0
247.09991	4.4
249.11559	6.8
251.13129	62.3
253.07439	1.1
253.11078	1.1
255.09004	4.6
256.26328	6.1
261.07953	0.9
263.09427	0.7
265.07559	1.9
265.11005	4.7
267.12674	6.5
269.14163	7.1
273.10049	0.7
277.14737	0.6
278.08148	0.8
279.09183	4.3
279.12280	4.1
281.10516	0.8
283.11960	5.4
285.13629	6.0
293.14209	0.6
296.09265	1.0
297.10220	2.4
297.13651	42.3
298.13876	0.8
300.28906	28.5
315.14725	44.5
321.13626	20.3
333.15912	0.6
339.14725	100.0
340.15103	0.6
357.15680	8.1
361.23615	0.8
362.16437	3.8
362.23682	2.3
362.32584	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.01844	7.2
55.05481	4.3
61.26516	3.5
67.05489	8.8
69.07046	26.1
70.50850	3.8
79.05464	43.8
81.07035	46.8
83.04956	8.3
83.08620	4.1
91.05460	61.0
93.07023	40.7
95.04929	26.3
95.08572	25.2
97.06467	5.0
103.05420	29.7
105.07015	40.6
107.04925	68.8
107.08589	26.5
109.06479	19.0
109.10109	16.7
115.05405	5.8
117.06984	7.1
119.04888	17.3
119.08577	16.9
121.06503	39.2
121.10106	10.4
123.04396	19.5
123.11676	6.0
125.05955	6.4
128.06200	17.2
129.06982	50.6
131.04890	18.6
131.08536	26.6
133.06390	4.8
133.10106	5.8
135.04405	5.2
135.08018	16.7
137.05963	42.9
145.06491	6.7
147.04393	8.2
147.11641	4.7
149.05946	6.6
151.03874	7.7
151.07483	33.1
152.04630	5.8
153.05457	23.4
153.06931	8.2
157.06483	33.2
159.04453	5.3
161.05936	39.4
161.09549	7.8
163.07460	24.7
165.06961	18.1
166.06297	15.8
166.07721	5.1
167.07030	100.0
167.08412	11.2
169.06490	5.3
169.22701	4.3
174.06734	22.5
177.06956	5.7
177.09137	5.3
179.08524	7.8
180.78517	5.4
181.04968	5.1
181.06371	4.9
181.06895	5.6
181.08560	96.4
182.07274	9.7
189.09067	71.9
191.08560	7.9
194.07193	10.6
195.08057	17.3
197.09552	18.1
199.07433	6.5
207.08128	13.6
207.10019	9.6
208.08690	8.2
210.06764	8.9
211.07451	9.1
212.08109	5.4
221.06021	7.0
222.06644	5.6
223.07475	24.0
223.11052	7.6
225.09023	30.3
227.06917	10.2
236.08264	5.5
237.09134	6.5
239.06847	8.7
240.07768	6.4
241.08307	5.4
251.10626	20.5
253.08557	19.0
255.06592	6.4
255.10097	5.1
257.08105	6.4
257.11639	26.0
267.09976	5.3
270.08759	7.9
281.08044	5.0
283.09555	25.9
283.12811	7.4
285.11163	50.1
311.12540	6.3
315.12070	27.0
316.45389	5.5
317.13785	22.2
343.15146	7.4
361.16113	17.1
378.06403	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85970	0.8
55.01863	2.4
55.05496	1.5
59.82823	1.1
60.21693	0.9
65.03918	1.4
67.05489	2.1
69.03395	1.2
75.73251	0.9
77.21273	0.9
79.05469	9.2
81.07039	5.3
81.76950	0.9
85.02882	2.4
91.05453	32.4
91.05997	1.6
93.07043	5.3
94.04175	2.6
95.04956	6.0
95.08575	1.4
97.06521	1.6
103.05446	10.1
105.07008	11.3
107.04929	18.4
107.08579	20.7
109.06530	5.5
111.04410	1.8
115.05452	7.1
117.06992	6.7
119.04921	18.3
121.06495	8.4
122.03583	8.4
123.08067	1.5
128.06245	2.4
129.06970	14.3
131.04895	9.1
131.08563	2.1
133.06462	4.3
135.04401	1.3
135.08025	45.7
135.11678	1.2
136.05165	2.0
137.05952	91.5
145.06494	4.5
145.07614	1.0
146.07274	2.4
147.04405	8.2
147.08076	1.6
148.05171	2.5
149.05968	5.4
150.06769	1.4
151.06290	1.5
151.07512	43.9
152.06216	1.2
153.09158	1.2
157.05301	1.1
157.06377	8.0
159.08038	1.5
161.05942	100.0
161.09581	24.7
162.06644	1.7
163.07495	35.9
165.06970	6.1
165.09126	2.1
167.08507	9.8
174.06708	7.5
175.07491	8.4
177.09138	2.1
178.07776	4.2
181.08582	7.0
182.08896	1.0
183.08130	1.1
185.91644	1.4
189.09059	40.3
192.09247	1.3
193.06470	2.1
193.10139	2.4
194.07227	1.7
195.08061	17.0
196.08798	1.1
197.05943	1.3
202.07791	1.6
205.06494	2.4
207.08182	2.4
207.10118	24.1
209.09541	1.5
210.06746	5.3
211.07399	1.6
212.08351	1.7
212.24036	1.2
221.05948	6.7
221.09563	4.3
222.06859	1.2
223.07503	5.1
224.08403	1.4
225.09077	6.6
227.10580	13.7
237.08995	2.3
238.06157	2.0
239.06929	1.2
240.07935	1.4
249.09105	2.0
253.08562	6.1
253.12234	7.0
254.09303	1.6
255.06129	1.9
255.10197	10.8
265.08636	1.7
267.09982	1.4
269.08084	2.0
281.11823	2.2
285.11172	6.1
287.12704	23.8
294.81161	1.1
299.12866	1.3
311.12930	1.2
313.14200	13.3
314.74664	1.2
331.15347	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72020	2.8
54.81712	3.0
55.01854	4.2
55.05498	4.4
58.73670	3.6
67.05502	3.9
69.03391	4.2
69.07047	7.4
71.04989	4.1
71.62811	3.7
74.09710	4.2
79.05473	29.7
81.07036	18.2
91.05460	39.6
92.09314	3.6
93.07032	20.1
95.04946	22.9
95.08562	6.5
103.05464	25.4
105.07040	32.7
106.04092	3.6
107.04948	75.5
107.08547	3.9
109.06507	6.7
109.10110	3.7
109.23303	3.4
115.05428	8.4
117.06998	8.3
118.04119	3.5
119.04891	6.3
119.08558	4.2
121.06490	31.0
121.10105	4.6
122.03686	3.5
123.04408	6.9
124.05215	15.7
125.05999	4.2
128.06216	21.1
129.06972	47.3
131.04900	27.0
131.08562	21.9
133.02885	3.7
133.06432	4.5
135.08041	13.6
137.05972	40.0
145.06433	6.6
146.07278	6.6
147.04366	6.9
148.05164	8.0
149.05984	14.4
151.03941	4.3
151.07520	29.4
152.04701	6.5
152.06303	4.4
153.05441	17.3
157.06494	30.2
161.05933	80.7
161.09612	15.1
161.90706	3.4
163.07547	25.4
165.06946	16.4
165.09123	6.5
166.06235	16.9
166.07654	5.2
167.07024	97.8
167.08424	10.4
170.05316	3.5
174.06786	26.0
175.07539	6.9
177.09085	6.4
179.08531	6.0
181.06667	10.3
181.08585	100.0
182.07201	8.6
189.09085	66.9
191.08511	6.7
193.06606	5.9
194.07295	13.6
195.08064	24.3
197.09604	8.7
207.08122	6.7
207.10117	22.1
208.08760	14.9
210.06740	17.7
211.07475	7.8
212.05057	3.5
212.08197	4.0
217.71753	3.6
219.08095	5.1
221.06061	13.9
222.06750	6.3
223.07553	20.1
223.11140	7.6
224.08281	7.7
225.09035	29.8
227.07027	18.9
237.09076	7.1
238.06084	5.1
239.07066	7.2
240.07771	7.5
242.09290	3.7
251.07059	7.9
251.10640	3.9
253.08563	24.6
255.06493	8.4
255.09961	4.1
257.11652	22.3
267.10010	3.9
268.07278	5.4
270.08752	5.5
279.10205	7.4
283.09552	19.7
283.13171	7.5
285.08102	6.6
285.11060	41.1
297.10910	4.3
299.09048	5.0
299.12488	3.9
302.11511	7.1
311.12830	5.9
315.12051	32.5
317.13708	20.0
331.15491	5.0
343.15186	7.8
361.16431	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12186	2.5
53.70426	2.5
54.04774	2.3
54.68147	2.8
55.01865	4.0
61.92165	2.8
67.05480	2.9
77.95868	2.9
78.04679	4.4
79.05485	28.4
81.07041	14.6
91.05460	53.8
92.71675	3.1
93.07032	24.4
95.04936	14.0
103.05437	32.4
105.03339	3.6
105.04501	4.0
105.06994	32.5
107.04938	74.2
109.06504	5.4
111.04378	3.6
115.05438	6.9
117.06987	12.7
119.04915	18.9
121.06470	36.7
123.04402	15.4
123.08018	4.4
123.82285	3.1
124.05162	5.7
125.06008	3.9
128.06197	19.0
129.06979	63.5
131.04903	27.4
131.08563	21.7
133.02798	5.4
133.06444	5.9
133.88173	3.1
135.04408	5.0
135.08028	18.6
136.05116	4.2
137.05960	29.4
139.74707	3.1
143.08534	3.9
145.06476	14.4
146.07257	4.6
147.04370	14.2
148.05240	5.5
149.05965	16.0
151.03886	12.4
151.07523	26.0
152.04715	7.2
152.06186	3.0
153.05443	20.0
153.06873	4.6
157.06418	27.1
158.07262	6.1
161.05936	63.5
161.09589	20.1
163.07481	33.1
165.05600	3.6
165.06956	19.6
165.09126	13.5
166.06223	25.4
166.07549	3.7
167.07013	100.0
167.08405	9.5
174.06743	28.0
175.07469	7.5
177.09122	7.5
179.08476	6.3
180.05757	4.2
181.06505	7.1
181.08554	95.0
181.10110	3.6
182.07239	15.1
182.84387	3.3
183.08025	12.4
189.05463	3.9
189.09059	83.3
190.06148	2.8
190.07784	5.3
191.08533	6.2
193.06479	16.7
193.89030	2.8
194.07213	15.9
195.08012	26.0
197.05978	6.0
197.09593	18.0
199.07559	4.4
204.51968	3.0
205.06432	4.0
207.08098	12.6
207.10199	13.4
208.08812	13.8
209.05878	5.1
210.06761	23.2
211.07501	13.1
219.08051	6.3
221.05939	13.2
222.06696	4.1
223.07451	27.1
223.11189	12.8
224.08305	4.6
225.05515	5.6
225.09009	24.9
226.29779	3.7
227.07040	7.7
235.07605	3.8
236.08307	6.2
237.09059	7.0
239.07005	11.3
239.10551	4.9
240.07726	7.3
241.08507	4.0
247.07544	3.6
251.07242	3.7
251.10652	13.5
253.08620	22.3
255.06503	7.0
255.10107	13.0
257.11588	28.1
268.07272	5.4
269.08072	3.4
270.08850	7.5
283.09610	20.7
283.13263	13.6
285.08142	6.0
285.11029	38.7
299.09100	5.7
302.11438	6.9
311.12906	4.0
315.12088	22.0
317.13773	28.1
343.15375	13.5
361.16299	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.9
64.33128	0.6
69.03400	1.4
69.69196	0.6
70.20568	0.6
83.94802	0.6
85.02884	2.4
97.77633	0.5
104.83311	0.6
110.47267	0.6
114.53672	0.5
127.77048	0.7
127.78805	0.6
132.67909	0.6
133.78758	0.6
139.08377	0.6
145.04968	0.6
147.04369	1.0
148.04675	0.7
149.27837	0.6
156.98149	0.5
172.42830	0.6
185.04219	1.0
199.05751	100.0
221.05110	0.8
361.10968	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1104
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
52.38100	0.7
54.81853	0.8
55.01863	1.2
55.93515	1.1
56.96558	6.2
57.03423	1.5
68.10371	1.0
69.03416	4.6
72.08148	1.1
73.89596	0.9
74.38406	0.8
74.97591	1.1
85.02900	9.8
86.09702	2.2
91.05452	1.2
97.02881	3.8
98.97597	1.7
99.04452	1.2
107.08621	1.0
116.98594	1.3
121.69730	0.9
123.04407	1.7
123.34559	1.1
127.03922	3.8
130.53580	0.9
131.97466	1.1
135.08003	1.1
137.05968	1.5
140.04681	8.2
145.04912	1.4
150.99101	1.8
155.07056	1.0
169.00110	1.1
185.04173	1.4
191.05911	1.4
199.05763	100.0
209.06918	1.2
235.02632	1.1
361.10956	36.2
364.87305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18396	0.3
51.66930	0.4
53.03926	1.0
55.01857	2.5
56.96285	0.5
56.96557	13.8
61.02892	0.6
67.05476	1.9
69.03410	3.8
72.56622	0.6
74.97587	2.6
79.05476	13.0
81.03389	1.1
81.07037	3.1
83.04943	0.6
85.02882	6.0
88.20164	0.5
91.05452	6.7
93.07026	21.5
95.04945	5.4
95.08604	0.6
96.02856	0.4
97.02869	2.3
97.06508	2.2
98.97567	1.1
103.05426	1.1
107.04902	2.1
109.02811	0.5
109.06514	1.0
111.04387	0.5
111.08044	2.3
121.05592	1.0
121.06480	30.8
123.04414	0.7
123.08048	11.1
125.02325	0.5
127.03938	1.0
128.97035	0.5
132.98080	0.6
137.05962	13.3
139.03688	0.5
139.07524	20.8
140.04692	4.0
145.04845	0.6
147.04387	1.9
149.05954	8.7
150.99127	4.1
151.07463	0.6
153.05421	1.1
157.79471	0.5
163.03888	0.6
164.04030	0.5
167.07005	100.0
169.00206	1.9
169.01675	1.1
177.02171	11.2
181.24153	0.5
185.08084	1.1
187.02798	2.4
191.05368	0.5
195.03258	13.3
199.05948	0.7
199.09633	19.1
213.04364	0.6
237.02782	0.7
239.02246	3.9
243.06314	0.5
257.03421	0.5
279.01630	1.1
293.92908	0.5
297.02679	3.4
315.03876	2.3
361.13611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51751	0.2
53.03928	1.6
55.01858	1.9
55.05497	0.7
56.96555	6.7
57.03407	0.4
58.22459	0.3
59.24725	0.3
61.02911	0.8
67.05480	2.1
69.03421	3.1
74.97605	1.3
79.05475	12.5
81.03371	1.4
81.07030	3.9
83.04989	0.4
84.96005	0.4
85.02895	5.2
86.09682	0.3
86.97575	0.4
90.26983	0.4
91.05463	7.5
93.07024	23.8
95.04958	4.7
95.08587	1.5
97.02869	1.8
97.06510	2.1
100.52806	0.3
103.05426	1.8
105.04478	0.4
105.06989	0.4
107.04933	1.7
109.02862	0.5
109.06497	0.8
111.04430	0.5
111.08067	2.3
118.73698	0.4
121.06485	28.0
123.04336	0.3
123.08044	9.5
127.03901	1.3
134.55507	0.3
137.05959	5.5
137.72002	0.3
139.07516	19.8
145.04904	0.5
149.04771	0.3
149.05959	9.5
150.99115	2.0
151.00824	0.3
158.38812	0.3
163.03877	0.6
165.09184	0.5
167.07004	100.0
167.19788	0.3
168.07326	0.5
169.00209	0.4
169.01700	0.5
177.02226	5.0
185.08029	1.6
187.02769	1.3
195.03247	5.8
199.09631	19.8
237.45613	0.4
239.02237	1.6
240.45641	0.3
250.19894	0.3
279.01559	0.6
297.02750	1.5
315.03796	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
51.96397	1.1
54.63548	1.1
55.05508	1.4
55.54307	1.4
60.97383	1.2
78.96437	1.2
79.05485	7.5
81.07051	1.6
91.05458	31.9
93.07034	2.6
94.04163	2.6
95.04950	4.8
98.06849	1.4
103.05449	11.1
105.07014	11.1
107.04936	22.2
107.08587	1.9
109.06506	5.4
115.05425	2.6
117.07029	2.9
119.04916	23.1
121.06483	7.9
122.03637	8.7
123.07969	1.5
125.21545	1.5
128.06245	5.3
129.06981	13.2
131.04933	7.4
131.08495	4.4
133.02812	3.2
133.06511	6.9
135.04424	2.2
135.08031	10.6
136.05196	2.9
137.05957	96.7
145.06496	2.4
146.03656	1.7
146.07268	6.7
147.04330	11.2
148.05157	2.5
149.05981	2.8
150.06725	2.7
151.07526	49.6
152.06181	1.9
157.06435	10.5
161.05945	100.0
161.09572	23.3
162.06656	1.5
163.07492	20.3
165.06926	3.2
165.09036	1.7
167.07274	1.7
167.08575	7.3
169.06419	2.0
174.06758	7.3
175.07533	6.8
179.08484	1.5
181.06482	1.7
181.08568	1.9
189.09065	44.1
193.06493	6.3
193.08502	1.6
193.10141	6.6
194.07213	2.6
195.08040	15.7
198.12117	1.7
207.10130	26.3
209.09633	2.3
210.06743	5.4
211.07549	2.0
212.08266	2.7
221.05946	6.1
221.09552	5.7
222.06850	2.2
223.07547	8.2
224.08385	3.1
225.09155	2.2
227.10594	13.8
238.06158	2.6
239.07008	1.7
241.08533	2.2
249.09067	1.9
253.08522	9.7
253.12175	6.5
255.10162	12.8
259.13501	1.3
265.08633	1.7
267.10120	2.0
269.07938	2.7
285.11133	8.5
287.12753	24.3
313.14322	11.5
319.70221	1.4
331.15396	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65544	2.4
53.03953	22.0
55.01875	2.6
57.03431	5.9
61.02916	11.3
69.03422	75.3
70.42097	2.6
70.89804	2.2
71.04996	9.6
72.23306	2.8
73.02908	6.3
74.19643	2.4
74.94250	2.4
81.03405	79.4
85.02889	100.0
85.03364	4.7
97.02863	37.6
99.04427	20.8
100.78755	2.4
103.03951	17.1
106.55725	2.5
108.04448	4.7
109.02868	75.3
111.30099	2.7
117.43301	2.4
121.06489	12.1
127.03890	81.6
145.04991	16.1
163.07515	3.2
169.04903	5.2
187.05965	52.7
187.07462	2.9
190.47646	3.2
194.31075	2.5
205.07048	61.4
229.08562	6.5
313.50937	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	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.81590	0.7
55.01876	6.5
57.03430	4.1
61.02919	7.9
69.03416	12.8
71.04969	1.0
73.02905	2.9
79.05479	1.5
81.03407	4.6
85.02895	42.9
87.04465	1.2
91.03945	2.9
91.05471	4.1
93.07028	8.0
95.04939	0.9
97.02876	11.7
98.45869	0.6
99.04452	1.0
103.05437	13.1
105.07023	1.1
107.04945	4.2
109.02883	3.7
119.04947	1.0
121.06495	31.2
125.02336	4.6
127.03900	6.5
131.04913	3.1
135.07143	0.6
135.08038	4.4
140.04672	54.9
145.04944	4.8
149.05965	29.1
153.04207	0.8
153.05444	19.3
153.06609	1.0
163.07549	3.3
166.06276	1.2
180.08624	2.1
181.08568	100.0
198.06686	0.7
198.12041	0.8
206.31184	0.6
284.87387	0.7
352.33710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26405	0.4
53.03939	0.4
55.01871	0.8
55.05494	2.6
57.03422	1.1
62.57066	0.4
67.05495	12.6
69.03409	2.5
69.07059	6.6
71.04971	3.4
74.29630	0.4
79.05480	3.2
81.07045	13.2
83.04948	2.2
85.02895	4.8
85.06532	2.5
91.05469	10.0
93.07026	5.4
95.08594	1.0
97.02856	0.5
97.06522	0.8
99.04414	0.8
103.05437	0.6
105.07021	13.3
105.08463	0.6
107.04925	0.8
107.08588	10.1
109.06480	1.1
109.10147	24.7
109.47716	0.4
113.05960	0.5
115.05435	5.6
123.11751	2.1
126.83833	0.5
127.03922	2.8
127.07521	0.6
128.06210	19.4
129.06990	51.1
133.10114	13.9
135.92130	0.5
137.68217	0.5
145.06502	2.4
145.10077	0.6
151.11148	5.6
155.05992	2.4
157.06476	100.0
169.12202	4.0
175.07530	2.1
195.13742	0.8
230.53421	0.5
343.18976	28.9
360.22037	0.8
360.25955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36279	0.3
53.03930	1.4
53.83554	0.3
55.05492	1.5
57.07069	0.4
67.05491	1.8
69.03403	0.7
69.07040	1.8
71.04988	0.3
71.39684	0.4
79.05461	6.3
81.07037	4.4
85.02872	2.4
90.45658	0.3
90.66450	0.4
91.05463	5.8
93.07021	18.3
95.04949	2.8
97.02852	0.9
99.04437	0.4
103.05448	34.6
103.25768	0.4
103.96954	0.4
105.04510	0.6
105.07021	3.8
107.08579	16.7
109.06518	0.6
109.10148	0.5
110.96740	0.5
119.08524	0.6
121.06461	1.6
121.10102	0.4
127.03918	1.4
131.04906	100.0
133.10103	2.4
135.08067	0.6
135.11673	11.6
137.09624	0.5
143.08566	0.5
149.05951	0.6
161.09593	2.9
175.11105	0.4
195.70871	0.4
198.38408	0.4
207.57382	0.4
217.15723	0.4
253.65015	0.4
283.16891	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	360.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01801	0.9
53.03940	2.2
55.01861	2.0
55.36835	0.9
57.03439	7.6
57.95689	0.9
59.29214	0.9
61.02915	4.1
65.99294	0.9
68.68415	1.1
68.99765	2.0
69.03413	33.5
70.06586	2.3
71.01356	1.5
71.04978	4.4
72.08133	2.4
73.02900	2.3
79.05460	0.9
81.03394	19.8
81.07050	1.2
83.01335	2.1
83.40064	1.0
84.04489	1.9
85.02891	62.4
86.09703	1.7
87.04435	2.6
91.05451	2.0
92.08601	1.1
95.04961	2.0
95.08585	1.9
96.04457	1.0
97.02868	55.5
97.51207	0.9
98.97628	1.1
99.04436	12.1
101.02395	1.2
105.07002	1.9
106.64762	1.0
107.08611	1.2
109.02875	17.3
114.37540	1.2
115.03893	1.2
117.07034	2.3
119.04942	6.7
121.06500	7.1
123.04403	30.5
127.03889	46.9
135.04451	1.9
135.08061	4.9
136.07587	1.9
138.09171	3.9
145.04958	8.3
145.06476	4.5
147.04393	16.5
148.04819	1.2
149.06012	4.0
151.03880	1.2
154.79797	1.0
161.05942	2.2
163.03854	2.2
163.07484	25.6
164.10681	2.4
165.05469	7.1
167.06982	1.5
173.05965	10.0
179.07010	7.9
187.05986	22.2
187.07492	1.7
190.08578	19.4
191.06995	100.0
200.99292	1.0
203.07149	1.2
205.07050	59.3
208.09653	89.4
228.12329	7.0
245.67183	1.1
274.86288	1.1
325.10657	2.2
342.13303	2.6
360.14282	26.7
361.08936	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	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.3
53.03925	0.4
55.01863	0.4
55.55508	0.3
57.03424	0.4
59.04989	4.3
61.02903	0.5
67.05568	0.3
69.03403	2.2
70.06573	0.3
72.08131	0.6
73.02890	0.4
79.05463	0.6
83.04929	0.3
85.02893	5.9
85.06956	0.3
85.60088	0.3
86.09705	0.4
91.05474	6.0
95.04908	0.5
97.02866	2.2
103.05448	45.5
105.07011	0.4
107.04943	0.5
107.08542	0.4
119.08529	1.3
123.04401	0.5
127.03889	1.7
131.04903	100.0
132.05234	0.4
132.10214	0.4
133.06442	0.4
135.04391	5.2
137.05928	0.7
145.04930	1.4
152.10658	0.4
163.07507	40.1
167.06995	1.8
170.90373	0.4
180.10150	0.4
181.08569	6.1
198.11243	0.6
287.16345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05391	0.5
53.03930	0.6
54.49069	0.5
55.01846	2.5
57.03421	4.0
59.04974	0.5
60.04544	0.5
61.02908	1.3
65.32375	0.5
67.05490	0.8
68.99761	0.9
69.03416	12.1
70.06571	4.0
71.01326	0.7
71.04961	2.4
72.08121	2.5
73.02880	3.5
79.05450	1.0
81.03412	6.5
81.07027	2.1
83.01305	1.2
83.04973	1.0
85.02884	20.1
86.09689	0.8
87.04440	0.8
91.05428	3.4
93.07030	1.0
95.04951	3.9
95.08572	2.5
97.02861	18.3
99.04451	3.8
99.50997	0.5
101.02377	0.6
105.06998	3.3
107.04927	1.2
107.08581	1.3
109.02863	5.8
109.06510	0.8
115.05408	0.9
117.06979	5.2
119.04909	5.0
119.08524	0.9
121.06461	7.8
123.04396	29.7
123.08037	0.6
124.07597	0.6
125.05975	0.5
127.03886	13.7
129.17474	0.5
135.04404	3.9
135.08026	6.8
136.07550	3.9
136.11163	1.2
137.05963	3.6
138.09157	4.0
145.04922	4.3
145.06447	4.9
147.04379	14.8
147.07999	0.8
148.05083	0.6
149.05922	5.0
151.03827	3.4
160.56584	0.6
161.05922	3.2
163.03842	1.3
163.06091	0.8
163.07495	23.2
164.10652	3.4
165.05434	6.4
165.09067	0.8
167.06996	3.5
167.84607	0.6
173.05928	12.8
175.07520	1.2
177.05324	0.7
179.06970	10.2
180.10286	0.6
182.11726	4.0
185.00740	0.6
187.05963	6.9
187.07384	0.8
188.06880	0.8
190.08583	21.9
190.10303	0.8
191.06987	100.0
192.10110	1.0
203.07077	3.8
205.07053	13.9
208.09637	95.1
210.11205	3.0
211.09703	0.7
220.09650	0.8
221.08083	1.2
228.12238	15.0
239.79564	0.7
325.10574	2.9
342.13257	1.3
343.11676	2.7
360.14288	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94839	0.2
51.09256	0.2
53.03936	0.3
54.51919	0.2
54.94584	0.2
55.01863	0.3
57.03413	0.6
57.78663	0.2
61.02905	1.2
69.03416	3.0
71.04988	0.3
73.02901	0.5
73.50990	0.2
79.05481	0.5
81.03414	0.4
85.02889	8.5
89.03889	3.7
91.03909	0.4
91.05440	0.2
92.70304	0.2
96.37239	0.2
97.02884	2.8
99.04417	0.4
103.04763	0.3
103.05445	6.9
107.04953	1.9
107.05537	0.2
109.02837	0.5
111.04419	0.3
117.03366	6.8
127.03878	1.3
131.04912	13.7
135.04395	20.9
139.03902	1.0
145.02838	16.8
145.04941	1.4
162.05495	1.5
163.03873	100.0
163.07497	3.5
164.04233	0.3
167.41525	0.3
180.06514	1.0
180.08672	0.9
180.10144	0.3
181.04929	22.7
198.07549	0.5
318.48657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85851	0.3
53.26824	0.2
53.34145	0.2
55.01871	0.4
55.93485	0.2
57.03427	0.6
61.02903	1.7
67.41518	0.2
69.03413	3.2
69.07042	0.3
71.04960	0.3
72.08139	0.5
73.02875	0.4
78.18696	0.3
79.05480	1.0
81.03394	1.5
81.07053	0.3
84.08109	0.2
85.02426	0.4
85.02892	8.2
87.04443	0.3
89.03898	4.5
91.05460	1.7
93.07033	0.4
95.04939	0.6
97.02859	2.6
99.04426	0.4
105.07024	0.4
107.04937	2.8
107.08581	1.1
109.02850	0.5
109.87701	0.3
117.03361	6.8
118.05702	0.2
119.04900	1.9
123.04424	1.1
127.03911	2.1
131.08591	0.3
133.10136	0.3
135.04388	18.8
135.07997	0.4
139.03896	1.0
141.80186	0.3
145.02831	16.1
145.04935	1.6
147.04407	4.7
155.06990	0.3
163.03873	100.0
167.06946	1.0
181.04919	20.0
181.08374	0.4
194.82616	0.2
198.12027	0.5
202.15201	0.2
268.31656	0.3
290.60260	0.3
360.05310	1.0
361.08875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85552	0.1
53.03938	0.3
54.15552	0.2
55.01865	0.2
56.09397	0.1
57.03432	0.8
61.02917	0.7
62.65764	0.1
64.80537	0.2
65.03925	0.4
65.84415	0.1
69.03423	1.6
69.15649	0.1
70.11961	0.2
73.02917	0.3
75.19054	0.2
79.05466	0.3
81.03387	0.4
81.07030	0.2
85.02888	4.3
85.03366	0.3
92.09328	0.2
95.04946	0.3
97.02875	1.5
105.91811	0.2
107.08602	0.2
109.02866	0.7
111.04418	0.7
120.66785	0.2
121.02848	2.4
123.87002	0.2
127.03888	0.7
133.02829	3.1
135.04410	2.1
145.04936	0.4
149.02324	100.0
150.02666	0.3
163.03876	67.8
164.04266	0.2
167.03386	1.0
175.65547	0.2
179.07664	0.2
180.08598	0.2
181.04926	15.0
229.00758	0.2
247.61078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01881	1.7
55.05509	6.5
55.43913	1.6
57.07057	5.8
58.90704	1.4
67.05506	7.7
69.07069	8.0
71.05016	2.1
71.28329	1.7
72.08144	2.4
79.05478	23.2
81.03409	1.8
81.07035	15.1
83.89567	1.5
91.05476	26.3
93.07030	65.4
95.04982	10.4
95.08588	12.2
99.04417	1.9
103.05553	2.0
105.07015	31.9
107.08586	42.7
109.06538	3.2
109.10187	6.6
113.31887	1.5
117.07029	5.9
119.04972	1.9
119.08560	15.2
121.06546	1.5
121.10172	6.2
123.08092	2.3
123.11700	1.7
124.05105	1.5
127.03953	1.8
128.06264	3.5
129.07031	3.0
131.04932	2.3
131.08591	2.9
131.65289	1.5
133.06529	3.4
133.10133	14.6
135.11679	36.6
137.09642	2.7
141.09137	2.5
143.08623	10.1
145.10150	6.8
147.08073	2.7
147.11777	1.9
149.13277	1.9
151.07552	2.2
156.17917	1.7
161.09529	3.9
169.08669	3.5
175.11240	3.7
183.11859	2.5
191.10417	1.7
199.14961	1.8
207.10100	2.4
225.14934	6.2
266.04547	1.6
289.14200	2.6
327.19357	1.7
331.18854	16.0
341.21136	2.4
358.37061	3.5
359.22070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82140	1.8
55.05505	3.8
57.07056	1.9
63.10802	1.7
67.05492	7.3
67.89708	1.6
69.07048	8.3
79.01601	8.5
79.05462	8.0
81.07031	4.6
83.08607	3.9
91.05456	12.2
93.03137	9.0
93.07021	18.8
95.04949	4.7
95.08597	7.1
95.42098	1.8
105.07017	14.8
107.08558	18.2
109.10138	2.9
117.06973	2.7
119.08575	8.1
121.10072	3.8
123.08040	2.0
123.11661	3.0
126.99007	1.9
131.08585	2.6
133.10117	8.2
135.11633	4.3
143.08557	3.0
145.10109	8.6
149.09544	3.0
159.07852	15.5
159.11707	2.3
161.09360	100.0
161.13193	3.2
163.07393	2.0
163.18855	2.0
164.11775	3.3
176.11728	2.6
179.06795	3.1
179.10425	4.3
191.10358	4.4
193.08002	2.2
193.11960	23.1
203.18025	2.8
214.39325	2.1
310.53030	2.3
331.18625	4.8
341.20721	8.1
359.21921	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2189
Annotation	Bengamide E
Peak:m/z	Relative Intensity
55.05508	0.8
55.27374	0.5
56.96540	0.7
57.86790	0.6
67.05490	1.4
69.07059	1.3
71.28739	0.5
74.68477	0.5
79.05469	3.1
81.07040	3.9
83.04953	0.6
91.05453	3.1
93.07030	5.3
95.04926	0.9
95.08591	0.7
95.48833	0.5
97.06493	0.6
103.05394	0.8
105.06984	4.1
107.08576	2.6
109.10151	0.6
119.01915	1.0
119.08556	2.8
121.06478	1.2
131.08594	1.0
133.10109	0.8
135.11707	1.0
143.08548	1.0
145.10092	0.8
149.05719	0.9
161.09576	0.6
171.05019	0.7
177.08826	0.8
189.05980	0.6
227.11386	1.3
228.11533	3.3
318.17740	2.1
336.17279	3.0
341.20914	4.6
347.48438	0.7
356.87839	0.7
359.21896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33620	0.9
55.05506	19.6
57.07065	5.6
59.04980	7.2
61.02895	1.5
61.13674	1.0
62.19753	1.1
66.32320	1.0
67.05499	18.4
69.03413	4.3
69.07055	100.0
71.04975	4.9
71.08618	1.2
73.06547	2.3
79.05466	16.8
81.03420	1.5
81.07043	41.7
83.04954	2.2
83.08602	17.8
91.05463	19.9
93.07020	62.2
95.04938	5.0
95.08583	46.2
97.06502	15.7
97.74696	1.2
99.08080	1.3
105.07026	9.0
107.08578	52.6
109.06515	6.3
109.10141	34.8
111.08042	8.5
111.11698	20.3
113.09617	1.6
117.07028	5.2
119.08559	29.8
121.10142	4.3
123.11726	10.0
125.09599	2.6
133.10117	4.6
135.11655	34.7
137.05966	2.1
137.09583	26.4
139.11073	1.4
145.10121	1.8
151.11095	1.3
151.84695	1.1
153.12708	22.8
155.10657	13.3
157.10068	1.6
161.05995	1.2
171.13797	1.9
173.11719	1.8
187.13286	2.1
189.16653	1.2
215.35060	1.1
219.79306	1.1
287.23648	1.6
293.24728	2.6
305.24677	7.3
313.37982	1.2
323.25760	2.5
331.46844	1.3
349.17184	1.1
359.14700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48705	3.2
54.37722	2.8
55.05508	4.6
57.07058	2.9
67.05495	6.2
69.03412	4.6
69.07044	5.8
79.05470	21.1
81.07037	22.1
83.89011	3.6
85.06557	3.4
91.05453	22.5
93.07035	46.3
95.04932	6.2
95.08592	7.4
97.06549	4.1
105.06991	24.0
107.08604	29.7
109.06483	3.6
109.10159	5.4
115.05298	4.0
119.08543	11.9
121.10143	14.4
123.08035	3.3
123.11672	3.4
129.07008	4.1
131.08571	4.9
133.10098	18.5
135.11684	11.3
143.08524	4.5
145.10104	7.7
159.11754	5.3
173.13219	5.4
177.08900	12.9
207.09973	5.8
252.45798	4.1
289.14026	5.3
322.39606	3.4
331.18683	27.6
359.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2191
Annotation	Bengamide E
Peak:m/z	Relative Intensity
53.85939	1.2
55.05516	2.0
57.07065	1.7
67.05492	6.5
69.07050	3.1
71.05008	1.9
71.41016	1.4
79.05489	7.4
81.07045	10.2
82.67728	1.2
83.04947	1.2
91.05464	6.9
93.07014	16.5
95.08611	6.5
98.21343	1.3
105.07021	9.1
107.08540	10.7
109.10132	5.1
119.08564	6.5
121.10172	2.4
122.26062	1.4
131.08524	1.7
133.06303	1.7
133.10133	6.9
135.11699	3.6
145.10141	2.0
157.10124	1.4
159.11658	1.6
161.09532	2.9
170.83321	1.3
176.81569	1.3
182.79254	1.7
207.09836	1.4
321.94626	1.5
327.19312	1.4
331.18774	26.0
339.30676	1.5
359.21939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
65.84872	2.6
71.04997	2.8
75.28873	3.4
79.01595	4.3
79.05495	10.5
81.07038	5.8
83.08593	4.4
84.08916	4.1
89.31697	3.1
91.05447	14.9
93.07036	19.1
95.04945	7.3
95.08568	3.8
95.48646	3.4
98.97560	5.2
105.07019	16.1
107.08604	13.6
108.08939	3.6
109.06534	5.1
109.74663	3.7
129.06966	5.1
131.08574	4.5
133.10144	3.9
135.11691	5.2
159.07762	19.6
159.41992	3.6
161.09364	100.0
191.10390	4.7
193.12050	15.8
207.29567	3.9
266.39880	3.7
341.20749	13.3
359.21945	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	0.9
54.45749	0.2
55.01877	0.5
55.05503	0.5
57.03427	1.4
61.02924	2.7
66.89581	0.2
67.05502	1.3
69.03420	5.4
71.04983	0.6
72.10735	0.2
73.02906	1.6
79.05468	2.8
79.39238	0.2
81.03395	2.2
81.07040	2.9
85.02893	14.5
87.04450	0.6
91.05458	5.3
91.05938	0.4
93.06429	0.3
93.07024	10.0
95.08587	2.9
97.02885	3.6
97.06495	0.5
97.28139	0.3
99.04433	1.0
99.62962	0.3
105.07019	12.6
107.04930	0.3
107.08585	61.4
109.02876	1.7
109.06519	1.5
109.10143	2.6
117.06980	0.4
119.04923	0.4
119.08566	8.7
121.06490	1.6
121.09266	0.4
121.10128	9.8
123.08055	1.4
123.11711	1.8
125.06025	0.3
125.09607	1.1
127.03916	1.8
131.08569	1.4
133.06488	0.5
133.10110	37.2
135.11673	0.7
137.05939	1.1
137.09648	1.3
139.07526	2.2
143.08530	1.9
145.05002	0.5
146.07285	0.3
149.09599	6.7
151.07480	1.9
151.11162	13.0
151.12354	0.6
161.09607	11.8
167.10649	21.3
179.10649	27.3
196.33279	0.3
197.11710	100.0
198.12000	0.6
305.73901	0.3
318.75299	0.3
359.16638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
54.16137	0.3
55.01857	0.7
55.05499	0.8
57.03421	1.7
59.04989	0.9
61.02905	2.2
64.26570	0.4
67.05491	1.8
69.03413	4.0
69.07047	0.8
73.02882	0.9
74.22021	0.4
79.05475	2.2
81.03391	1.9
81.07028	2.2
82.02477	0.4
85.02892	18.7
86.46468	0.4
91.05463	7.6
93.07022	12.5
95.04929	3.9
95.08571	0.8
97.02861	4.6
99.04435	0.7
99.90008	0.4
105.07005	11.3
107.08579	41.3
109.02862	2.6
109.06498	3.0
109.10141	2.9
117.07029	0.4
117.26316	0.4
119.04897	0.4
119.08536	4.5
121.06469	2.8
123.04387	1.8
123.11689	1.5
127.03905	2.9
131.08452	0.5
133.10109	42.3
135.08049	0.5
135.11670	32.1
137.05960	1.4
137.09583	2.4
143.08546	0.8
145.04935	1.6
146.07201	0.6
151.11147	2.1
161.09581	21.1
179.10641	62.4
197.11700	100.0
198.12079	0.5
215.12650	0.5
275.16537	0.5
309.85178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03930	4.0
55.01854	2.1
57.03433	5.7
57.80571	0.7
59.04991	1.3
60.51727	0.7
61.02904	7.3
67.05505	1.3
69.03419	17.7
71.04974	1.1
73.02914	2.0
79.05483	4.4
81.03402	10.3
81.07029	4.2
83.04980	1.1
85.02892	49.9
87.04418	1.3
91.03986	1.1
91.05464	10.8
92.09281	1.6
93.07033	15.2
95.04948	5.0
97.02863	12.5
98.97575	1.1
99.04446	4.8
100.80192	0.8
103.05422	6.1
105.07014	19.0
107.04938	0.9
107.08575	39.6
109.02864	11.0
109.06510	5.1
109.10144	4.7
115.05449	1.6
117.07038	0.9
119.08544	6.3
121.06496	5.3
123.04379	1.9
123.11691	1.9
125.06002	1.0
127.03898	14.4
127.13924	0.8
129.06975	1.1
131.04893	12.1
131.08504	1.4
133.10114	42.6
135.08110	1.3
135.11668	34.0
137.05972	21.3
137.09659	2.9
143.08609	1.5
144.05679	1.2
145.04961	4.7
145.06400	1.2
151.11186	1.9
160.05200	4.0
161.09602	23.6
163.07481	1.9
172.05148	1.3
174.06779	1.8
175.07516	9.7
177.00638	1.0
179.10632	64.2
187.05927	4.5
187.07538	15.3
197.11700	100.0
203.08472	1.0
205.07054	3.7
211.07471	0.9
217.08478	1.4
219.08084	2.0
243.84918	1.1
248.08322	1.4
251.10684	1.0
279.10248	3.1
291.10129	1.9
311.12790	3.1
323.12616	4.1
359.16760	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.07070	12.1
58.06587	1.4
59.50919	0.3
59.99103	0.3
61.30220	0.3
62.06070	0.3
67.05474	0.3
68.05015	0.3
69.07058	0.7
70.06200	0.7
70.06581	18.6
71.08620	5.0
79.14899	0.3
80.12514	0.3
81.07033	1.3
82.31936	0.3
85.10171	1.9
86.92067	0.3
87.04454	0.3
88.07616	19.6
93.07020	0.7
95.08611	0.6
102.09162	5.0
105.07026	0.6
106.08656	9.8
107.08568	0.5
108.08904	0.3
116.05334	0.4
119.08544	0.5
121.10105	0.5
132.53732	0.3
135.11752	0.4
143.08629	0.3
147.11720	0.3
150.96803	0.4
159.53020	0.3
228.54886	0.3
232.88335	0.3
250.89363	0.7
274.89594	0.3
296.32965	0.4
314.34085	0.4
316.91409	0.4
340.35696	9.8
351.68054	0.3
356.34164	0.4
358.36737	100.0
359.37268	0.6
373.46893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78384	0.5
54.81654	0.9
61.02902	0.9
62.88251	0.6
68.63194	0.7
69.03407	1.7
73.50401	0.6
77.13036	0.6
79.05460	1.3
81.03376	0.8
81.07055	0.8
83.06084	1.7
84.87485	0.6
85.02883	5.6
86.03539	1.0
91.05472	1.7
91.94598	0.7
93.07008	4.7
95.04937	0.9
95.06040	1.7
97.02856	1.2
104.05000	0.8
105.05702	1.3
105.06995	3.7
106.06570	1.0
107.08585	7.6
108.44138	0.7
111.05532	8.4
119.08568	1.6
120.04414	5.1
121.06467	1.2
123.05502	1.0
125.05815	1.3
126.06614	4.4
132.04437	43.0
133.10088	8.7
134.06000	11.7
135.11673	6.9
137.04671	4.1
137.05905	1.6
146.02350	1.1
151.06119	20.7
161.09561	4.0
164.07028	5.4
171.19351	0.8
179.10617	12.2
194.06711	8.4
197.09982	1.5
197.11676	21.1
202.09694	3.9
216.11353	1.0
217.09653	1.0
220.02003	0.8
230.09190	2.7
242.09174	8.4
245.09108	1.6
255.08852	0.7
257.10226	11.2
258.08765	1.3
259.11847	16.9
284.11469	7.4
302.12424	24.7
327.12033	3.0
343.09314	0.8
345.12991	100.0
359.14526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.19786	2.8
50.23428	2.4
50.89162	2.3
55.01866	4.6
56.96564	23.2
57.03416	2.8
65.03925	17.1
67.05499	5.0
69.07059	3.5
71.04981	19.7
79.05499	6.0
81.07044	14.1
83.08587	3.6
85.02918	4.0
85.06522	14.7
91.05465	19.7
92.09019	5.8
93.03357	3.3
93.07016	19.2
94.43780	3.0
95.01332	3.3
95.04964	4.9
95.08613	4.2
104.33508	3.1
105.07013	7.9
107.04952	4.9
107.08580	20.6
110.03671	21.8
111.04432	19.1
112.51146	3.3
119.08530	5.4
121.02824	30.6
121.10121	5.8
125.05982	27.5
126.98158	3.3
129.06990	4.6
131.04962	4.1
131.08545	3.7
133.10130	5.3
135.04381	3.6
135.07994	4.4
136.42642	3.0
137.05925	3.9
141.02228	3.8
144.05682	3.9
145.06480	5.5
149.02333	17.6
151.03917	4.4
152.06229	5.0
153.05447	22.1
153.06888	6.4
159.03256	7.8
159.07999	6.1
161.09567	4.2
165.06989	18.1
166.07855	3.8
167.08517	4.0
169.06456	5.0
178.07745	5.0
179.08459	3.8
179.14299	4.5
181.05002	7.7
181.06477	13.0
182.07309	7.2
194.07275	3.9
195.07951	22.2
197.05904	11.9
197.09610	3.7
197.15439	3.1
199.07591	3.8
206.07237	7.9
207.08052	15.9
208.08868	3.3
209.05896	6.0
209.09599	3.8
210.06723	18.1
211.07635	7.5
212.08371	12.5
219.07954	4.4
221.09639	13.7
222.06934	3.5
223.07530	26.5
223.10056	15.3
224.08301	12.5
225.05565	3.7
225.09081	17.2
227.07047	25.2
227.10667	4.8
234.06584	6.6
235.07599	5.4
237.05357	4.9
237.09097	20.6
238.06229	7.8
238.09836	16.9
239.06990	15.2
239.10716	4.2
240.07761	51.8
241.08568	12.3
241.11072	13.7
249.09087	6.3
251.06963	15.8
252.07759	13.4
253.08557	76.5
253.12213	19.9
254.09326	13.1
255.06477	17.8
255.10106	28.6
257.08011	13.9
265.08682	5.5
265.96991	3.3
266.09344	13.9
267.06479	5.6
267.10172	7.7
268.07260	19.7
269.08035	21.4
270.08746	18.3
277.17719	5.2
281.08051	25.0
281.11609	22.8
282.09039	3.6
283.06006	5.7
283.09637	31.1
283.12607	3.4
284.10388	7.4
285.07632	3.7
285.11139	5.1
285.14752	4.4
293.14261	6.0
295.09586	7.3
298.08316	15.2
298.11899	13.6
299.12704	19.8
300.09827	12.7
309.11102	28.8
313.10632	58.5
313.14313	32.1
326.11383	6.3
327.12204	100.0
331.15295	20.8
341.13708	30.7
359.14835	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02098	0.1
52.84602	0.2
56.96555	0.3
57.03416	1.0
57.07066	0.2
67.05489	0.3
67.63573	0.2
69.03414	1.1
71.04975	0.2
74.64932	0.2
79.05480	0.3
81.03413	0.3
81.07027	0.4
85.02882	2.5
85.10169	0.2
87.04448	0.2
91.05460	1.5
94.04169	1.7
95.01322	2.2
95.04926	0.2
95.08595	2.6
96.08909	0.3
97.02878	0.8
103.05448	1.0
105.44027	0.2
107.04929	0.3
113.09620	1.4
119.04929	1.6
122.03625	6.3
123.04427	0.4
127.03909	0.3
131.04900	1.3
131.10664	4.2
132.10977	1.4
135.04424	0.4
137.05960	100.0
139.03906	1.4
139.30368	0.2
141.01840	0.4
151.07564	1.0
163.03841	0.3
163.07521	1.1
166.91107	0.2
177.09023	0.2
177.11220	1.0
181.04985	0.3
181.08583	1.8
182.97881	0.2
357.15363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01879	0.5
55.05508	1.7
55.44866	0.3
57.03426	13.3
57.18758	0.3
59.04988	0.7
59.88718	0.3
61.02916	2.5
69.03403	2.4
71.01335	0.6
71.04975	82.7
73.02892	3.2
75.04453	4.3
82.67955	0.3
83.04958	7.8
83.22633	0.3
83.58372	0.3
85.02888	100.0
85.56714	0.3
87.04439	1.7
91.03922	0.5
95.65597	0.3
97.02861	3.6
99.04434	1.7
100.38859	0.3
100.86166	0.3
103.03909	0.6
109.02861	0.4
110.78729	0.3
111.04420	3.4
111.48711	0.3
127.03886	2.6
129.05450	27.4
145.04939	3.0
146.08058	0.4
147.06499	12.2
163.05984	2.3
164.09166	3.0
165.07455	0.4
178.08572	0.9
196.09622	1.7
255.08607	0.7
273.09430	0.8
309.11707	2.4
358.14838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01856	3.1
55.05500	21.1
57.03428	2.4
57.07054	4.5
59.04989	2.3
67.05494	25.3
69.03411	3.1
69.07063	29.6
70.06586	3.0
71.04979	23.3
72.64051	2.3
79.05479	34.1
81.07031	34.8
82.30492	2.7
83.04972	4.6
83.08595	4.5
88.07598	6.0
89.85192	2.3
91.05461	44.5
93.07027	54.1
95.04951	15.1
95.08580	26.1
97.06527	10.3
99.04414	19.5
103.05457	3.4
105.07008	60.1
106.07797	13.0
107.04990	4.1
107.08574	42.0
109.02829	5.0
109.06485	35.6
109.10147	10.5
110.03630	4.4
117.07006	12.4
118.56260	2.6
119.04921	5.3
119.08554	48.3
121.06523	18.0
121.10125	38.3
123.08041	15.1
124.08821	5.9
125.05988	10.8
125.09578	2.9
129.06990	3.9
130.07779	4.1
131.04912	11.8
131.08568	15.0
133.06522	8.3
133.10117	12.4
134.07242	10.7
135.08022	3.3
135.11713	19.2
137.04330	3.0
137.05957	100.0
137.09595	5.8
143.08521	4.7
145.10135	22.1
147.07982	3.9
147.11681	15.3
149.09602	14.4
151.07542	4.1
152.08305	37.6
155.69514	2.5
159.07910	10.5
159.11699	3.7
161.09505	5.6
163.11148	18.4
164.11926	5.1
173.64200	2.6
175.11198	3.3
180.44969	2.4
181.12184	56.7
192.11475	3.1
207.13806	12.2
250.89449	3.1
270.06000	2.5
357.18356	3.1
357.35593	29.5
358.35916	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	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21695	1.3
53.03930	2.3
53.96682	1.2
54.19644	1.2
55.01852	3.2
55.05510	10.8
56.96563	3.4
57.07063	6.2
59.04971	6.1
67.05192	1.5
67.05499	29.5
69.07060	10.3
71.04958	6.9
78.67432	1.3
79.05475	35.8
81.07041	44.0
83.04954	5.9
83.08601	3.3
85.06483	1.9
91.05460	56.1
92.09378	1.7
93.07025	86.9
93.61312	1.4
95.04958	14.8
95.08585	21.1
97.06500	5.5
99.04471	1.6
99.08066	1.6
105.07020	75.1
107.07875	2.9
107.08585	76.1
109.06492	7.4
109.10146	15.7
111.08111	1.6
116.98555	1.4
117.06973	7.1
119.08593	15.5
121.06396	2.0
121.10107	16.2
123.08018	11.5
123.11708	25.7
125.09661	2.1
129.06941	3.2
131.08559	13.9
133.10117	100.0
135.08049	2.0
135.11679	60.6
137.09566	2.3
141.06956	2.1
142.07722	1.5
143.08565	5.5
145.10085	8.2
147.11617	3.3
149.09616	2.7
151.11165	28.1
153.09166	2.1
155.08476	3.0
157.10107	2.9
159.11661	7.1
161.13159	2.1
163.11073	1.9
164.73067	1.8
169.08585	7.1
169.10057	2.3
169.12178	1.9
171.11638	1.9
173.13177	3.5
183.11684	6.3
187.09549	1.7
189.12732	2.3
201.16386	1.5
211.14804	2.6
218.48015	1.6
267.20996	6.3
285.22113	3.0
303.23230	2.6
311.15350	2.4
312.16675	5.6
335.22342	1.4
348.60941	1.6
356.15512	20.8
356.19312	2.4
357.16653	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	356.3522
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03943	0.3
54.40446	0.3
55.05508	16.1
56.17875	0.3
57.07066	3.0
58.06562	0.4
67.05505	0.7
69.07058	11.0
70.06582	17.8
71.08611	0.9
79.05492	0.6
81.07028	2.7
83.08605	7.5
88.07613	20.7
91.05485	0.5
93.07003	2.2
95.05009	0.4
97.10139	1.9
102.09155	6.0
105.07006	0.8
106.07991	0.7
106.08652	10.7
107.08586	0.6
117.65964	0.5
135.11691	1.0
161.22339	0.4
216.43118	0.4
278.17270	0.4
285.18936	0.4
312.32617	0.6
329.93747	0.4
338.34134	8.5
356.35168	100.0
357.35611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01858	0.9
55.05507	27.1
56.96561	0.7
57.03429	0.5
57.07060	1.0
59.04987	0.8
67.05502	6.9
69.07056	8.2
71.04613	1.0
71.04982	21.4
79.05473	14.2
81.07032	8.1
83.04954	1.2
83.08605	100.0
85.06527	4.4
91.05463	11.7
93.07024	28.3
95.04948	4.3
95.08576	3.0
97.06493	3.1
99.08062	3.3
103.05455	3.4
105.04433	0.7
105.07008	4.3
107.08591	19.8
109.06512	3.6
109.10136	3.6
119.08531	0.6
131.04916	5.0
133.10101	0.9
135.11674	28.9
139.11211	0.8
139.99014	0.6
147.64342	0.5
152.87666	0.7
153.12703	2.1
185.45195	0.6
243.09047	0.7
259.83304	0.5
261.10040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27810	0.9
53.00300	2.1
53.03931	4.8
54.62469	0.8
55.01859	1.2
55.05508	41.1
57.07054	1.3
58.22704	0.8
59.04987	2.2
63.11140	0.8
64.32162	0.8
67.05496	22.4
68.78762	0.8
69.03427	1.4
69.07056	14.0
70.80118	0.8
71.04611	1.5
71.04984	30.3
71.05372	1.3
79.05476	28.8
79.05903	1.8
81.07041	48.6
83.04951	2.2
83.08608	100.0
85.06518	8.7
85.27146	1.0
91.05459	25.9
91.73055	1.0
93.07025	53.6
95.01308	17.4
95.04955	11.0
95.08604	12.0
95.42682	1.1
96.91940	0.8
97.06486	4.8
97.10154	1.0
98.97488	1.0
99.08102	8.0
105.07019	11.5
106.07371	1.3
107.05008	0.9
107.07865	1.7
107.08584	43.0
109.06506	18.3
109.10115	10.0
111.08041	1.3
117.07021	3.6
119.08544	4.7
120.00169	0.9
121.10114	3.9
123.04398	1.3
123.08012	1.0
123.11701	4.0
125.09623	1.0
131.04878	1.8
131.08553	1.8
133.10115	4.1
135.11673	39.1
137.13258	1.4
145.06595	1.0
145.10098	2.1
151.11157	2.1
153.09114	1.3
161.13217	1.0
169.12190	1.3
191.10652	10.8
357.20511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.8
53.03943	1.2
55.01856	0.8
55.05505	5.0
56.39130	0.5
56.96542	0.8
57.07077	0.8
58.71898	0.6
63.31911	0.7
67.05504	4.6
69.07048	5.5
79.05476	46.9
81.07043	8.2
88.07638	0.7
91.05460	13.9
93.07025	80.7
95.04969	5.0
95.08592	18.7
99.08054	4.9
105.04494	1.0
105.07020	9.3
107.08580	56.5
109.06516	2.7
109.10132	1.5
111.08050	1.2
116.98622	0.7
119.08556	4.9
119.21027	0.6
120.62370	0.6
121.10146	0.7
123.08047	13.9
123.11672	1.1
131.08530	0.9
133.06430	0.7
133.10123	4.9
134.10435	1.3
135.11674	100.0
136.12010	0.7
141.09082	15.7
151.07533	3.4
151.11165	1.3
169.08566	3.7
187.09674	4.5
264.39264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.6
53.03940	7.8
55.01870	2.7
55.05509	31.1
57.03433	1.8
57.07074	6.3
59.05000	9.0
61.02917	1.8
65.03922	2.1
67.05494	42.2
69.03415	2.9
69.07058	30.0
71.04978	12.8
78.98918	1.0
79.05481	57.6
80.56170	1.0
81.07044	68.2
83.04972	5.8
83.08611	48.0
85.02894	1.5
85.06552	2.5
91.05465	66.0
93.07026	100.0
95.04950	23.3
95.08588	26.2
97.06514	12.8
99.08074	2.2
105.04527	2.0
105.07016	24.5
107.08583	72.2
109.06501	13.6
109.10156	21.5
118.59039	1.1
119.05999	1.3
119.08590	2.9
121.10136	6.0
123.08020	1.9
123.11697	11.8
125.09617	1.9
131.08559	2.7
133.10130	10.7
134.10469	1.4
135.11681	47.3
137.13278	1.4
145.10164	3.0
151.11201	5.1
153.12741	2.9
164.98494	1.3
169.12228	1.6
215.14302	1.5
308.71628	1.1
355.33932	2.7
357.20355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74046	0.8
53.03934	2.1
55.01863	2.1
55.05502	10.3
56.96538	1.5
57.07056	2.0
59.04990	7.8
67.05494	25.7
69.03416	1.5
69.07053	9.2
71.04974	2.0
71.35465	0.8
72.48286	1.0
79.05471	29.4
81.07036	36.7
83.04972	1.0
83.08596	5.6
91.05457	54.0
92.09380	1.0
93.07021	80.7
94.61555	0.8
95.04932	11.8
95.08583	15.2
95.39278	0.8
97.06501	1.0
98.97582	1.9
99.08076	1.5
105.03405	1.0
105.04523	1.6
105.07011	82.2
106.07311	1.3
107.08572	59.3
109.06513	6.3
109.10137	13.2
111.08053	9.2
116.06228	0.9
117.07017	6.2
119.08554	11.1
121.06478	1.2
121.10131	10.2
123.08028	3.6
123.11683	18.7
125.09615	2.2
128.06178	1.1
129.07013	3.7
131.04863	1.1
131.08534	9.3
133.10104	100.0
134.10406	1.2
134.99591	1.2
135.07985	1.1
135.11662	36.6
141.07019	2.2
143.08527	3.7
145.10094	6.5
147.11647	6.6
149.09583	1.9
149.13300	1.2
151.11168	25.2
155.08554	3.9
157.10086	1.7
159.11662	3.4
161.09692	1.0
169.08762	0.9
169.10132	4.6
169.12248	4.5
171.11612	3.4
177.12859	0.9
183.11639	4.0
197.13281	1.9
201.16394	1.3
211.14725	2.1
225.16347	1.9
257.22464	1.2
267.20990	6.9
285.21964	6.2
303.22931	1.6
357.20233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.9
53.03935	4.3
55.01863	7.9
55.05265	1.1
55.05507	21.6
57.07058	3.3
58.73009	0.7
65.03924	0.7
67.05492	6.6
69.06718	0.8
69.07059	16.5
70.06583	17.1
70.14040	0.7
71.04976	0.8
71.08620	0.9
79.05495	6.8
81.07043	18.7
83.04933	0.7
83.08603	10.3
85.06524	0.8
88.07616	22.8
91.05467	29.2
93.07026	100.0
95.04951	18.5
95.08617	4.9
97.06522	1.1
97.10157	1.1
102.09153	4.5
105.04526	2.7
105.07030	8.7
106.08660	10.4
107.08578	31.9
109.06503	10.5
109.10146	9.6
110.10445	0.8
111.08072	35.6
117.06966	0.8
119.08543	4.5
121.10162	0.8
123.11688	1.5
128.10670	0.8
133.10104	4.1
135.08017	0.9
135.11684	15.7
137.09619	1.3
145.10107	0.9
147.11577	0.7
151.11163	9.1
152.11987	0.8
216.03508	0.7
312.32715	0.9
326.87402	0.7
338.34036	7.8
345.59781	0.8
356.35165	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64354	0.5
53.03930	2.2
55.01870	5.2
55.05507	11.6
57.07069	1.2
58.06594	0.5
67.05492	4.2
69.03438	0.6
69.07056	6.4
70.06573	7.2
77.03908	1.0
79.05474	6.1
81.07043	8.7
83.04971	0.6
83.08602	4.8
85.06504	0.5
86.47682	0.5
86.89715	0.5
88.07613	10.6
91.05463	24.9
91.44199	0.5
93.07027	90.5
94.07819	1.2
95.04947	17.5
95.08578	1.1
102.09146	1.2
105.04462	1.1
105.07014	4.1
106.08646	3.9
107.08579	26.7
109.06505	6.6
109.10146	2.4
111.08065	29.5
119.08566	1.3
121.10102	0.8
123.11684	1.3
128.10670	0.9
133.10118	2.4
135.11676	100.0
137.09575	0.9
151.11183	3.2
195.13782	3.5
259.19736	0.6
338.34183	3.2
356.35187	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	356.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01864	9.1
55.05508	8.1
62.16867	0.6
67.05492	4.8
67.48135	0.6
69.07074	5.3
70.06583	4.8
74.28726	0.6
74.65054	0.6
77.03897	0.9
79.05476	5.1
81.07035	9.5
83.08591	5.6
85.06559	0.7
88.07614	5.7
91.05469	29.2
93.07027	100.0
95.04953	12.3
95.08612	1.4
105.04486	3.3
105.07035	4.4
106.08672	3.4
107.08572	12.4
109.06527	4.3
109.10158	1.6
111.08070	39.8
123.11652	1.0
128.10732	0.9
133.10146	1.6
135.11671	17.4
151.11128	5.5
189.78854	0.8
338.34283	1.3
356.35181	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	356.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96146	0.5
53.03935	0.8
55.01863	1.2
55.05503	5.0
56.96553	0.7
57.07064	1.1
59.05000	0.4
67.05488	4.3
69.07040	4.4
71.04961	0.7
77.03911	0.8
79.05474	45.2
81.07044	11.1
82.42627	0.5
83.04947	0.6
83.08593	1.0
86.17638	0.5
87.04536	0.5
91.05459	13.1
93.07022	85.7
94.07340	0.7
95.04954	7.5
95.06061	0.5
95.08585	23.8
95.09206	1.0
97.06490	0.6
99.08073	6.0
105.07003	7.4
106.29554	0.6
107.08575	58.1
109.06473	4.0
109.10156	3.1
111.08070	3.3
117.06943	0.6
117.67565	0.6
119.08550	3.9
121.10087	1.1
123.08038	18.5
123.11661	2.6
127.07528	2.8
130.71072	0.7
131.08557	1.0
133.10109	2.7
135.11665	100.0
141.09090	20.1
142.88727	0.7
144.43900	0.7
145.10104	1.1
147.11623	0.6
149.09599	0.8
151.07520	5.7
151.11153	2.6
153.09102	0.6
153.12767	1.1
161.09523	0.6
164.05627	0.6
169.08536	5.9
183.11760	1.0
183.70883	0.6
187.09586	4.9
196.07678	0.6
232.04465	0.6
375.47165	0.6
377.92621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
64.65159	0.3
67.05490	1.6
69.03408	1.7
71.04973	21.3
75.57640	0.4
81.03390	0.5
85.02882	4.4
85.06509	0.4
89.77433	0.3
91.05446	0.4
95.04939	2.7
97.02851	1.5
99.04433	100.0
102.38460	0.3
109.02875	0.8
113.05989	13.8
117.05473	1.9
121.06489	0.5
127.03902	0.6
136.07545	0.6
141.05443	9.6
146.29175	0.3
158.97359	0.4
159.06494	95.1
164.06978	0.7
177.07562	3.9
225.62816	0.3
356.04889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
57.03425	27.2
60.87522	0.7
69.03391	2.6
69.35004	0.6
81.03387	3.2
84.54813	0.6
85.02887	8.9
85.21324	0.6
86.66966	0.8
95.08595	1.3
97.02906	0.9
99.04429	46.6
113.05963	0.9
113.09598	0.8
117.05468	22.6
127.03849	1.0
131.07011	100.0
146.61238	0.8
149.34454	0.8
157.90068	0.8
159.06499	10.4
176.07028	0.7
177.07545	17.4
180.08629	1.3
209.66043	0.6
222.05829	0.9
319.35999	0.7
338.10498	0.7
350.29483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08052	0.5
53.03939	0.5
55.01862	1.1
57.03426	70.5
59.04978	2.3
61.02911	2.6
64.08250	0.4
64.51833	0.4
69.03410	3.5
73.02889	0.7
81.03400	1.0
81.07043	1.2
83.01315	0.7
83.04932	0.6
85.02892	10.1
85.06521	0.6
85.62984	0.5
89.03880	0.9
89.05999	2.7
91.03902	0.6
91.05454	2.1
93.07002	4.2
94.07361	0.7
95.08581	3.3
97.02885	3.8
98.47239	0.5
98.97624	0.7
99.04426	9.4
99.04955	0.8
99.08067	0.9
105.07025	0.7
106.06534	9.9
107.04979	0.7
109.02868	0.9
113.05964	0.8
113.09629	3.6
114.06392	0.6
117.03369	0.8
117.05466	24.3
118.03690	0.9
120.08070	1.1
127.03876	1.1
130.06511	23.3
131.07014	100.0
132.04430	22.1
132.08075	5.2
133.10109	1.2
135.04413	3.1
136.04773	3.2
138.05545	1.0
145.02792	2.0
145.04936	1.0
146.03156	1.3
146.06004	6.1
148.07538	26.0
148.08652	1.0
158.05991	4.2
159.06528	3.8
159.10208	0.8
163.03886	12.5
164.04190	13.1
176.07030	31.0
177.07558	16.8
180.08646	0.9
194.08087	3.2
194.10213	2.3
207.45564	0.6
250.16890	0.5
270.70871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.81789	0.4
55.01866	0.9
55.05491	1.9
57.03426	12.5
57.07064	3.0
59.04991	0.7
61.02915	5.1
67.05505	4.2
69.03416	6.2
69.07046	2.6
70.06589	0.5
71.04971	7.0
71.27422	0.4
73.02898	1.9
81.03389	3.8
81.07032	6.0
83.04941	0.6
83.08627	0.6
85.02888	25.6
85.06533	3.4
85.10152	4.4
87.04462	0.6
91.03907	1.0
93.07033	0.7
95.08582	47.1
97.02874	7.7
98.97572	0.7
99.04449	1.0
109.02855	2.2
113.09628	27.9
123.08050	2.0
123.11671	1.9
127.03899	3.6
131.10657	100.0
135.04414	0.9
136.04742	0.6
137.05971	2.2
141.09064	0.9
141.12738	4.3
145.04977	1.0
145.19542	0.4
152.09187	0.6
159.10182	0.6
159.13799	1.0
163.03865	2.4
164.04181	3.2
177.11188	15.0
177.12550	0.5
177.14806	1.9
194.05261	1.8
211.58636	0.6
265.81662	0.5
278.35623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04806	0.3
51.60058	0.3
55.01863	0.8
55.05501	2.2
57.03413	1.5
61.02913	0.5
64.10722	0.3
65.03929	0.4
67.05491	1.4
69.03422	5.0
71.04959	1.9
73.02899	1.8
79.05463	2.3
81.03388	1.6
83.04967	8.5
85.02899	3.6
91.05457	6.5
92.09309	0.3
94.07323	0.3
95.04950	1.4
97.02885	1.9
97.06523	1.9
98.97574	0.7
99.04435	3.9
101.06002	2.4
105.06968	0.5
107.04942	1.7
109.02859	0.4
111.04433	3.8
113.06033	2.4
115.03900	0.5
116.98653	0.5
117.05598	0.5
119.04924	21.5
121.02854	0.7
122.31084	0.3
123.04370	0.5
124.61209	0.3
125.05990	4.2
127.03863	0.4
127.07518	0.5
129.05475	1.4
131.04884	0.4
132.08015	0.5
133.06477	1.7
139.03880	0.6
139.07478	0.5
141.05447	1.6
143.06979	2.8
145.04915	0.4
147.04401	100.0
148.07542	1.7
155.08681	0.4
159.04402	0.8
159.06528	5.4
161.05943	0.8
165.07001	0.8
166.08650	0.5
171.06421	1.8
176.07034	2.8
177.07541	0.8
183.08047	0.6
189.05696	0.4
189.07590	2.3
194.08147	2.3
197.06058	0.6
207.08633	1.5
211.07567	1.8
221.05739	0.4
223.07465	0.4
239.07053	1.3
249.05421	0.5
267.06467	2.2
285.07510	1.3
303.08588	1.7
306.91843	0.3
321.09662	4.0
356.09702	0.5
356.13370	2.4
376.92917	0.4
377.47388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76018	0.4
53.03930	0.7
55.01859	2.8
56.96550	0.5
57.03428	23.5
61.02907	3.0
65.84920	0.5
67.05497	0.6
69.03407	5.3
69.07052	0.9
71.01334	0.7
71.04974	2.7
73.02907	1.2
77.10729	0.6
79.05472	1.1
81.03402	3.5
81.07034	0.7
82.06561	0.7
85.02893	12.1
85.06538	2.3
87.63824	0.6
89.03891	1.2
89.14218	0.5
91.84235	0.5
95.04925	0.7
95.08584	3.0
97.02858	6.1
97.06529	1.3
98.97588	1.1
99.04435	35.3
103.05446	1.1
106.06538	25.9
109.02903	0.8
113.05979	0.8
113.09631	0.7
117.03355	0.7
117.05468	30.8
118.06554	1.0
120.04458	0.6
120.08080	4.6
127.03876	1.3
127.11180	1.1
130.06503	63.1
131.07016	100.0
132.04427	47.4
132.08066	9.2
134.06007	1.4
135.04410	3.1
136.04718	2.2
136.07515	2.0
137.07907	1.3
141.05446	0.9
141.09099	1.4
145.04987	1.2
146.03223	1.2
146.05984	13.8
148.07550	52.6
158.05960	16.2
159.06511	8.3
159.10104	1.1
163.03845	6.5
164.04170	8.8
164.07021	2.5
165.07405	1.2
176.07033	58.6
177.07579	16.3
180.08670	0.7
181.57910	0.6
189.99091	0.7
194.08105	17.1
204.04753	0.8
206.70055	0.5
221.05600	2.5
222.05907	4.5
237.02780	1.0
250.33578	0.7
264.05942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87239	0.4
53.03933	0.3
55.01863	0.3
55.05500	0.6
57.03421	0.6
61.02918	0.7
67.05501	0.9
68.16380	0.4
69.03411	2.1
71.04974	19.5
81.03394	1.4
85.02883	6.4
85.06555	0.4
87.04456	0.5
92.08647	0.4
95.04936	3.1
97.02878	1.8
99.04430	100.0
103.03939	0.7
109.02847	1.9
113.05199	0.6
113.05979	14.8
115.55483	0.4
117.05452	2.4
123.04417	1.5
123.46658	0.4
127.03896	2.2
130.06479	0.7
136.07617	0.6
137.17007	0.4
141.05444	13.1
145.04942	0.6
159.06496	97.5
164.07082	0.6
176.07104	0.4
177.07570	4.2
179.21007	0.3
182.49763	0.4
190.13269	0.4
236.99004	0.4
263.23599	0.4
297.65552	0.4
318.22009	0.4
356.10168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68119	0.2
51.96247	0.1
53.00291	0.2
53.03946	0.3
55.01860	1.4
55.05502	0.3
56.29264	0.2
56.96563	0.2
57.03429	10.1
59.04987	0.4
61.02911	3.0
65.90949	0.1
67.01859	2.8
67.05502	0.7
68.97169	0.2
69.03416	10.8
71.01313	0.3
71.04983	0.7
72.08134	2.7
73.02897	3.5
77.84666	0.2
80.57230	0.2
81.03403	1.4
83.01325	2.9
83.04958	0.4
85.02890	40.9
86.06039	2.1
86.09695	0.3
87.00805	0.2
87.04460	0.7
90.01531	0.2
91.03944	0.4
93.03422	0.2
95.01306	100.0
96.01629	0.2
97.02868	10.7
99.02148	0.2
99.04408	0.9
101.02370	0.8
103.00304	0.4
103.59786	0.2
109.02872	1.0
111.00784	5.1
111.01511	0.3
111.04413	0.3
113.02351	12.2
115.03912	0.9
116.98624	0.2
118.08667	1.5
121.41497	0.2
127.03909	1.5
129.01819	16.7
139.03897	0.7
141.01805	50.1
145.04947	1.2
147.04298	0.2
157.04834	0.2
159.02866	1.3
159.06548	0.7
177.03912	59.3
178.04242	0.2
194.58846	0.2
275.75092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
65.03922	0.9
67.05479	0.4
67.17242	0.2
69.03413	0.3
69.70169	0.2
70.49416	0.2
72.54069	0.2
76.77648	0.2
81.07050	0.7
83.04955	1.0
85.02850	0.2
85.37963	0.2
85.39583	0.2
86.55765	0.2
87.20985	0.2
89.03898	1.1
90.04216	0.4
91.05462	9.7
98.97534	0.3
107.10272	0.2
111.04429	0.8
117.03352	1.9
118.03709	1.4
119.04918	23.8
125.28104	0.2
135.04405	2.9
136.04688	2.5
145.02838	1.6
146.03174	1.8
147.04388	100.0
148.04755	0.4
163.03870	8.2
164.04201	8.8
165.05484	0.3
185.92999	0.2
199.62958	0.2
339.10599	0.9
339.59021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1512
Annotation	Dinocton 6
Peak:m/z	Relative Intensity
51.55211	0.8
56.19272	0.8
58.75634	0.8
67.05495	1.6
69.07035	1.0
79.05486	2.0
81.07033	2.2
91.05466	5.8
93.07021	6.2
95.08573	2.3
105.06995	4.3
107.08562	5.8
109.06474	1.4
109.10128	1.6
119.08555	3.9
121.10132	1.3
123.07879	1.0
123.11671	1.5
131.08517	2.2
133.10095	1.6
311.16092	23.0
336.21109	1.1
337.17776	1.7
355.15076	100.0
355.18692	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	355.1537
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.40716	1.4
71.04990	1.7
79.05476	4.2
80.45811	1.7
81.07042	4.3
83.16715	1.8
91.05447	3.3
93.07019	10.8
93.16508	1.7
95.04967	2.5
95.08619	3.3
98.97543	2.6
105.07013	2.9
107.08581	4.3
109.06500	2.5
117.07057	1.8
119.08544	2.2
121.03028	1.7
121.10139	2.3
130.07697	1.6
131.04915	1.8
131.08507	3.7
135.11690	3.9
137.06010	2.0
145.10077	2.4
157.10165	2.2
165.06956	8.5
167.07024	2.2
173.09558	4.2
181.06444	2.6
183.08115	2.3
191.08525	4.0
192.09305	6.3
194.07222	4.1
195.08002	3.4
201.08986	2.6
205.06534	3.4
205.10037	2.3
207.07979	2.2
207.11739	2.7
208.08818	2.4
209.09544	18.2
210.06633	2.4
211.07535	7.9
211.11659	1.8
219.08037	11.3
220.08807	10.2
221.09602	8.8
223.11183	7.8
225.09000	2.3
235.11139	7.0
237.09073	15.4
239.06995	3.3
247.07495	3.0
248.08263	4.1
249.09074	11.6
251.10623	11.9
252.11398	7.9
256.07401	2.7
261.09323	2.0
262.09872	7.9
263.10614	10.4
264.19400	1.8
265.08447	18.3
266.09241	2.5
267.10086	2.7
267.13702	3.2
269.11658	9.2
276.55594	1.8
277.08453	3.0
278.09335	2.2
279.10168	7.0
280.10962	10.9
281.11746	3.8
282.08716	2.6
291.09988	2.5
293.08087	2.1
294.12329	3.0
295.13171	14.3
297.11206	14.7
299.09116	2.9
308.10431	3.0
309.11188	3.5
311.12628	2.1
312.13422	3.9
323.12732	10.4
324.13492	6.7
325.10535	3.5
327.15811	24.6
355.15298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2994
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
55.05496	14.8
57.07058	4.9
67.05482	18.3
69.07055	27.0
70.22567	2.4
70.34862	2.3
79.05486	35.9
81.07032	46.5
83.08606	13.5
91.05458	18.8
93.07032	69.8
95.04927	4.8
95.08578	47.9
97.10126	3.7
105.07012	40.1
107.08580	56.9
109.10121	29.1
117.06976	5.0
119.08559	26.2
119.57005	2.9
121.10114	33.1
123.11684	11.8
129.07014	3.8
130.92854	3.0
131.08539	27.8
133.10098	27.0
135.11662	22.5
141.07091	3.1
143.08582	21.9
145.10123	34.3
147.11668	23.6
149.09579	3.5
149.13255	16.3
155.08557	7.1
156.09250	4.1
157.10104	6.3
158.71365	2.8
159.11636	17.9
161.13229	15.0
163.14777	4.6
169.10046	3.7
171.11565	10.4
173.13258	14.4
175.14827	7.2
177.16348	6.0
181.10005	4.0
183.11716	6.7
185.13202	12.3
187.14789	14.5
197.13158	4.4
199.14828	14.5
201.16347	19.8
203.18030	3.5
215.17918	5.9
224.55753	3.2
225.16286	11.9
226.82480	2.9
253.19473	5.8
279.20953	4.5
281.22610	14.5
294.23618	4.5
337.28879	100.0
355.29883	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.5
57.07056	12.4
60.98575	8.4
67.05495	13.7
69.07054	43.6
79.05475	12.7
81.07050	51.8
85.64719	9.3
91.05460	17.2
93.07005	100.0
95.04920	11.7
95.08588	81.5
102.89658	8.3
105.07024	69.0
107.08575	75.3
109.10172	68.3
119.08543	81.5
121.10108	48.8
123.11696	19.2
131.08568	15.3
133.10120	69.3
135.11678	38.9
145.10158	14.7
147.11687	48.0
161.13246	60.2
175.14754	13.6
203.17940	66.0
217.19458	80.2
337.28815	20.8
355.30038	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.3
57.07055	7.9
59.50442	8.1
67.05484	34.9
69.07048	37.2
79.05455	39.5
81.07037	85.9
83.39864	8.0
86.03590	9.2
91.05456	48.7
92.08624	18.2
93.07024	100.0
95.08597	68.6
105.07007	90.7
107.08593	81.4
109.10114	38.9
113.30882	8.5
119.08569	93.4
121.10117	55.0
123.11691	19.2
131.08528	22.4
133.10072	67.3
135.11671	37.9
145.10124	18.9
147.11665	49.3
154.84137	9.2
157.10048	12.6
157.68404	10.4
159.11705	20.2
161.13231	17.4
171.11676	10.8
175.14885	11.0
187.14899	13.7
188.11960	13.7
201.16289	10.3
203.14211	76.3
203.17947	17.3
213.16313	13.2
220.01930	10.7
249.76643	11.1
257.81110	9.8
293.70233	10.3
332.94037	9.7
337.28815	54.5
355.30029	80.4
367.55438	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	355.1019
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03410	0.4
61.86261	0.4
62.26703	0.3
69.03427	0.4
79.05466	1.7
79.22709	0.5
81.07010	0.3
83.04976	0.7
85.02852	0.4
89.03892	11.8
91.05431	0.7
94.50569	0.3
95.04953	1.3
95.08601	0.8
107.04941	4.6
111.04425	0.4
117.02516	0.6
117.03349	17.5
119.04917	0.8
135.04390	35.3
145.02832	20.9
145.03831	0.7
147.04361	3.3
163.03867	100.0
186.71126	0.4
277.22812	0.4
355.17612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.77147	0.1
56.38186	0.1
56.39207	0.1
57.03408	0.2
67.01842	0.8
68.99770	0.3
69.03418	0.3
70.95400	0.1
71.04978	1.4
72.97012	0.1
79.05443	0.2
81.03371	0.2
82.42764	0.2
85.02886	2.3
86.39746	0.1
91.05427	0.2
93.07060	0.2
95.04940	0.2
97.02850	0.2
109.02871	0.2
123.04411	0.2
125.05967	0.8
127.03873	0.2
130.06483	0.3
135.04410	0.2
137.05986	0.3
147.04370	1.0
151.03922	0.3
153.01797	1.1
154.18753	0.2
154.99913	0.1
157.08665	0.2
163.03877	0.3
169.04935	0.8
193.04935	100.0
194.05367	0.3
236.95274	0.2
355.10007	0.2
355.17215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40395	1.2
53.00313	1.1
53.03930	7.4
54.69800	1.4
55.01855	1.5
55.05500	16.5
56.28240	1.4
57.03429	1.6
57.07061	10.0
59.04985	3.4
67.05495	43.3
69.03424	2.2
69.07057	37.6
71.04975	3.2
76.56065	1.3
79.05480	76.4
80.06257	1.5
81.03400	5.7
81.07047	43.5
82.07398	1.4
83.04968	5.9
83.08619	16.0
88.07645	1.6
91.05468	40.6
93.07031	100.0
95.04961	23.8
95.08614	16.0
97.06512	16.6
97.10070	1.5
98.97604	2.2
99.08047	1.8
103.05445	1.8
105.04462	1.7
105.07023	45.8
106.07303	1.9
107.04929	2.9
107.08588	78.4
109.06487	9.8
109.10149	16.4
111.08046	1.8
116.98618	2.8
117.06982	3.1
118.07790	1.8
119.08572	7.0
121.10146	15.2
123.08023	16.5
123.11673	13.6
125.13277	2.1
131.08566	8.6
133.10118	54.2
135.08051	1.6
135.11678	62.2
137.09636	1.7
138.10374	16.1
149.09595	3.1
151.11185	8.3
153.12741	6.4
167.10654	2.5
173.13196	2.2
280.25189	1.4
350.25140	1.6
354.33398	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	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05511	11.3
57.07075	16.8
57.10313	9.5
58.06609	18.4
69.07052	42.4
70.06564	11.3
72.58107	8.4
76.11704	8.5
81.07053	10.4
95.08591	52.2
99.56578	8.0
109.10141	10.9
119.36585	8.6
135.43484	9.2
273.86710	9.7
296.04333	10.0
354.33698	100.0
364.08685	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	355.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42795	0.2
70.83589	0.3
74.07271	0.2
79.05468	2.1
89.03896	9.9
95.04940	0.5
107.04942	4.2
115.07543	0.3
117.03357	14.1
122.05983	0.6
135.04393	33.3
145.02829	19.3
145.03786	0.5
150.05507	0.4
163.03874	100.0
193.05000	0.3
210.24347	0.3
263.50610	0.3
332.99329	0.3
343.63657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59663	0.2
55.05480	0.2
59.54036	0.2
60.34114	0.2
79.05457	1.3
83.04953	1.0
89.03383	0.4
89.03899	8.8
95.04943	0.5
98.89421	0.2
107.04958	3.3
110.20026	0.2
111.04430	0.6
117.03356	13.4
135.04388	29.0
145.02831	19.1
145.03786	0.5
163.03870	100.0
207.39452	0.3
211.99142	0.2
270.74710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.82265	0.2
58.73594	0.2
63.02349	0.3
64.10781	0.2
67.05488	0.5
70.02968	0.2
75.54520	0.3
79.05463	1.6
83.04955	1.4
85.02890	0.3
89.03895	7.8
92.64995	0.3
93.03362	0.3
95.04927	0.5
107.04942	3.2
111.04411	0.3
117.03357	13.8
126.02802	0.2
134.03302	0.2
135.04391	32.0
145.02824	20.3
150.64778	0.2
163.03871	100.0
164.04167	0.4
181.04903	0.3
194.31641	0.2
246.24100	0.2
375.54398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.70060	0.9
55.01862	1.0
55.05491	6.3
56.96547	1.8
57.07056	2.1
59.04983	4.2
67.05499	11.4
69.03381	1.0
69.07047	4.7
72.34342	1.1
72.67880	1.0
75.66653	1.0
79.05054	2.1
79.05476	35.9
81.07032	18.3
83.04949	1.2
83.08617	1.4
91.05459	45.1
93.07023	37.4
95.04941	8.3
95.08578	7.3
97.06495	1.6
103.05446	2.2
105.07012	58.4
107.04948	2.2
107.08581	30.9
109.06502	4.6
109.10132	7.1
117.07006	5.2
119.08553	5.3
121.06470	2.6
121.10142	19.2
123.08015	1.4
123.11686	6.3
129.39436	1.1
131.08517	8.5
133.10104	100.0
134.10400	1.2
135.11671	13.4
141.06946	2.1
142.46791	1.1
143.08530	1.4
145.10075	2.5
147.08061	1.3
147.11765	1.6
149.09619	2.7
151.11176	16.1
157.10007	1.4
159.11615	1.6
161.09581	1.8
163.11201	1.6
166.07794	1.2
167.08530	1.9
167.10599	4.4
169.09993	1.8
171.69165	1.0
173.13196	1.3
181.10091	2.4
183.11552	1.1
194.34178	1.0
239.09668	1.3
248.98656	1.1
255.08546	1.0
309.13498	1.6
370.59256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.01851	1.9
55.05508	17.7
57.03423	1.8
57.07076	11.3
59.04982	6.1
60.39192	0.9
65.03902	4.3
67.05145	1.4
67.05491	36.4
69.07056	57.1
71.04962	2.4
77.03886	1.2
78.00321	0.8
79.05476	99.3
81.03407	3.6
81.07042	33.9
83.04955	5.6
83.08609	18.0
91.05465	50.4
93.07024	100.0
95.04953	25.5
95.08601	17.5
97.06514	29.3
98.97554	1.7
99.08058	1.9
103.05453	1.2
105.04517	3.6
105.07014	46.5
107.04956	7.3
107.08580	98.3
109.06507	8.9
109.10130	19.8
109.18250	1.0
111.08060	2.3
117.06984	4.2
119.06057	1.1
119.08528	6.9
121.10115	13.5
122.94959	1.0
123.08051	15.4
123.11674	11.7
125.13248	6.9
127.07532	4.2
131.08539	5.0
133.10109	45.7
135.11673	70.2
137.00740	1.0
137.09590	4.3
138.10384	16.5
139.11185	1.5
145.10132	1.5
147.11705	1.0
149.09595	3.9
149.13284	1.5
151.11171	4.8
153.12712	16.8
167.10622	1.9
171.10129	1.3
182.40654	1.1
349.51172	1.0
354.33432	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	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	5.7
53.03927	5.2
54.81697	1.4
55.01862	7.2
55.05502	31.2
57.03397	1.3
57.07067	11.1
59.04988	5.5
64.02817	1.1
64.65211	1.1
65.03922	1.4
67.05492	43.1
69.03402	2.9
69.07054	44.1
71.04979	9.9
79.05471	42.9
81.03409	1.5
81.07038	100.0
82.04201	1.4
83.04964	6.0
83.08614	9.6
85.06517	1.8
91.04958	2.4
91.05466	43.4
93.07021	43.5
95.04954	13.7
95.08581	46.0
97.06512	8.5
98.97532	1.7
99.08064	11.8
105.04509	1.9
105.07008	54.7
107.04943	8.8
107.08576	47.6
109.06493	11.0
109.10142	35.6
111.04453	2.4
111.08040	3.3
115.05481	2.3
116.06231	2.2
116.98632	2.6
117.06997	13.0
119.08547	35.5
121.06480	19.5
121.10134	22.1
122.07270	2.1
123.04446	2.0
123.08049	8.1
123.11684	85.9
125.09583	2.5
127.07503	2.6
128.06200	7.1
129.06996	12.2
130.07793	2.8
131.08554	25.9
133.06445	5.2
133.10098	24.0
135.04381	1.5
135.08015	10.2
135.11636	11.7
137.09604	8.0
141.06987	2.1
142.07707	2.9
143.08548	20.6
144.09317	3.0
144.60165	1.3
145.06427	2.0
145.10100	28.8
147.08028	6.2
147.11665	15.6
149.09531	9.8
149.13266	6.7
151.11189	4.9
155.08487	6.4
156.09285	2.6
156.65727	1.4
157.10098	15.8
159.08044	3.0
159.11627	15.5
161.09575	8.0
161.13226	2.9
163.07510	2.0
163.11168	6.3
169.10088	5.4
171.11661	9.1
172.12410	2.7
173.09567	2.0
173.13210	10.6
175.11160	6.1
175.14815	6.9
177.12643	4.5
183.11763	1.9
185.13121	1.6
187.11206	2.1
187.14767	17.3
189.12776	4.8
189.16382	2.8
191.14296	11.9
192.15141	1.9
197.13203	2.1
199.14766	2.9
201.16324	1.8
203.14307	2.4
206.16600	8.1
213.16322	8.9
215.14330	2.5
231.17393	11.0
243.17493	2.5
247.16917	6.9
256.79294	1.5
257.22556	1.8
285.21927	1.7
354.33636	1.6
355.22479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.0
55.01855	3.2
55.05506	12.0
57.03410	1.7
57.07059	3.9
59.04984	2.6
64.33542	1.6
65.03930	3.0
66.94363	1.6
67.05492	78.2
68.97587	1.4
69.03412	2.7
69.07061	14.0
71.04980	3.3
79.05478	65.8
81.03396	3.0
81.07040	74.9
83.04958	7.7
83.08595	3.4
85.02905	3.7
88.07609	2.4
91.05456	50.9
93.07019	100.0
95.04950	26.2
95.08585	27.2
97.06493	7.2
98.97546	1.8
103.05445	2.7
105.04440	2.0
105.07017	41.5
107.04933	6.3
107.08572	66.3
109.06522	22.5
109.10136	17.3
117.06991	8.5
118.07800	2.0
119.08556	9.9
121.06512	2.0
121.10125	11.0
123.08036	7.6
123.11665	30.0
125.05920	1.8
125.99322	1.6
129.06970	2.4
131.08534	10.8
133.10107	58.4
135.07967	2.8
135.11656	58.9
136.61681	1.6
137.09560	2.7
141.06998	3.5
143.08582	3.1
145.10121	6.4
147.11710	2.7
149.07672	1.5
149.09616	2.3
151.11150	12.0
153.12677	2.0
155.08487	3.4
156.09419	1.8
157.10133	2.4
161.09679	2.1
163.11108	2.3
164.65350	1.7
171.11662	2.5
173.13239	2.9
175.11131	1.7
183.11658	2.7
183.37444	1.6
187.14830	1.7
189.34363	1.8
201.16322	1.7
211.14731	2.1
229.15863	2.2
245.37883	1.8
267.20981	3.4
285.21991	3.5
354.33658	17.9
370.82968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.3
53.03937	2.3
55.01860	9.0
55.05500	35.3
57.03431	17.8
57.07062	6.4
59.04976	1.5
64.03355	1.3
67.05495	73.7
69.03416	2.3
69.06709	2.5
69.07053	39.7
71.04963	2.9
71.08615	50.8
79.05053	2.5
79.05476	47.1
81.07038	100.0
83.04955	9.0
83.08610	16.7
85.06536	2.4
91.05463	30.3
93.06427	2.1
93.07020	58.5
95.04949	9.1
95.08590	67.5
97.06488	8.1
97.10143	10.3
98.97549	2.7
99.08077	26.9
105.07003	36.3
106.92179	1.9
107.08578	41.4
109.06509	2.5
109.10143	27.8
111.08073	2.7
117.07001	7.7
119.08553	21.9
121.10135	25.2
123.08037	5.7
123.11681	9.4
125.09586	3.9
128.06175	1.9
130.35947	1.7
131.08502	12.9
133.10120	21.0
135.08105	1.7
135.11646	13.7
137.13266	2.3
143.08566	7.2
145.10110	13.8
147.11667	21.4
149.09543	2.8
149.13243	7.8
151.11182	3.1
153.12790	1.7
155.08592	2.0
157.10114	3.9
159.11641	9.5
161.13264	6.4
163.11253	2.1
163.14833	7.0
165.12686	3.8
169.10049	2.8
173.13222	9.5
175.14760	2.7
180.47739	1.6
181.15694	2.5
185.13191	2.2
187.14754	2.3
197.13087	1.9
215.18040	2.1
243.21103	9.0
251.23752	1.7
261.22052	19.1
279.23132	13.9
319.33215	1.8
353.13834	6.1
353.26846	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.6
55.01867	5.6
55.05500	2.8
57.03429	8.0
60.04513	1.2
61.02914	35.4
64.88637	0.6
67.05485	3.4
69.03070	1.2
69.03415	21.7
71.04971	3.1
73.02903	5.6
79.05475	57.7
80.60067	0.6
81.03404	5.1
83.04967	10.0
84.04488	0.9
85.02890	59.8
86.06043	2.6
86.09686	1.3
87.04425	1.0
91.03932	5.2
91.05453	2.6
93.03375	1.2
93.07022	42.5
95.04955	1.4
97.02876	20.6
97.06512	29.8
99.04427	5.1
99.93446	0.7
100.71071	0.6
101.02341	2.6
105.04445	0.7
109.02882	4.7
111.04435	8.2
112.41600	0.7
114.05513	1.2
115.03908	1.2
116.06903	0.6
121.02827	1.5
121.06473	12.8
124.53566	0.6
127.03886	20.9
130.08629	1.0
136.06143	2.9
139.03918	11.3
139.07520	100.0
141.36781	0.8
142.79001	0.6
145.04944	17.7
150.93216	0.6
157.04961	6.9
157.08575	41.3
157.09866	1.4
163.05997	4.2
164.06946	1.3
175.06000	0.8
175.09660	10.6
180.08583	1.5
188.86493	0.7
192.12286	1.3
237.12265	0.8
243.84186	0.8
319.10193	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84815	1.3
51.02343	1.2
52.18363	1.2
52.64798	1.2
53.03933	1.2
53.53029	1.1
55.01857	8.0
55.05498	1.7
57.03422	7.4
57.07050	1.3
60.04519	2.2
61.02912	28.6
65.66768	1.2
67.05498	12.2
69.03409	16.8
71.04982	7.0
73.02894	3.6
74.05161	1.3
79.05474	57.3
81.03393	7.7
83.04972	13.4
84.04504	1.4
85.02419	2.6
85.02887	44.3
85.06522	6.6
86.03148	1.5
86.06030	2.0
86.09692	11.2
87.04443	2.6
91.05463	2.1
92.63461	1.3
93.07020	41.9
95.04971	2.6
97.02866	19.0
97.06504	28.9
99.04437	5.7
109.02844	2.3
111.04426	25.5
112.04745	2.9
114.05464	1.4
115.03881	6.3
121.06475	13.8
127.03876	19.3
129.05440	10.0
132.10156	1.6
139.03868	16.8
139.07518	100.0
145.04939	10.9
156.06532	8.4
157.04945	35.8
157.06902	6.2
157.08569	39.9
163.05928	1.7
164.07043	2.5
167.85138	1.5
174.07561	2.6
175.06053	15.3
175.07893	6.9
175.09528	13.1
264.20901	1.6
288.67078	1.8
373.59320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22483	0.5
52.34393	0.5
56.96555	0.8
61.02918	24.7
64.19739	0.7
67.05499	1.3
69.03411	3.4
69.07089	0.6
71.04959	0.7
71.51363	0.6
79.05474	52.2
81.03409	0.8
81.71428	0.6
83.04964	4.6
85.02896	7.7
91.05476	2.8
93.07021	39.3
95.04928	1.7
97.02892	1.5
97.06511	24.9
109.06512	0.7
111.04440	3.5
111.08095	0.8
121.06499	11.6
129.05460	1.0
139.03925	7.7
139.07523	100.0
157.04953	1.4
157.08577	32.8
175.05984	9.5
175.09618	22.1
196.08063	0.8
218.69141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01872	3.7
55.05512	7.1
56.24939	0.4
57.03438	0.5
59.04996	2.2
65.03932	1.3
67.05499	14.5
69.03419	1.0
69.07060	3.2
71.04989	1.3
79.05483	25.8
81.03407	2.4
81.07044	13.2
83.04977	4.1
83.08611	4.7
84.79250	0.5
88.53213	0.4
91.05468	29.8
92.05771	0.6
92.09309	0.7
93.07030	30.0
95.04948	9.8
95.08591	10.2
97.06526	0.6
98.97588	1.2
99.08072	0.8
103.05447	4.9
104.05780	1.2
105.04575	0.6
105.07024	44.6
107.04958	8.3
107.08588	100.0
109.06525	7.3
109.10161	7.4
111.04444	2.8
111.08073	1.1
115.05478	0.9
116.06242	1.1
116.98628	0.7
117.07016	3.1
118.07783	0.9
119.04918	0.8
119.06082	1.0
119.08585	3.4
121.06489	4.1
121.10133	10.3
123.08061	4.3
123.11708	1.9
125.09589	7.5
125.10268	0.5
127.07546	0.5
128.06256	0.6
129.07013	2.1
129.99352	0.6
131.04916	7.1
131.08542	9.1
132.05257	4.7
133.10118	73.9
134.07254	4.7
134.99615	1.1
135.08057	2.5
135.11671	5.7
137.09605	1.2
139.11159	0.6
143.08600	2.0
145.10161	2.0
147.11600	0.5
149.09618	28.1
151.11205	0.9
153.09119	8.8
156.09406	0.5
157.10114	2.0
159.11688	1.1
167.10690	2.3
169.08746	0.6
185.13181	0.6
187.14839	3.0
190.69894	0.5
213.16481	0.8
301.21576	1.0
312.15906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52733	1.8
53.00297	3.4
53.03933	3.6
55.01851	7.2
55.05506	27.9
56.26357	1.7
57.07064	10.2
59.04987	2.4
67.05489	40.8
68.94277	1.7
69.03408	1.9
69.07052	34.5
71.04976	4.2
73.35233	2.0
73.85205	1.9
79.05473	38.6
81.07037	100.0
82.04185	2.0
83.04961	3.2
83.08609	9.2
91.05457	39.8
93.07026	35.2
95.04953	12.0
95.08582	44.7
97.06525	4.2
99.08097	10.8
105.07010	54.3
107.04938	10.9
107.08573	37.6
109.06512	10.8
109.10134	36.3
111.04445	3.6
111.08043	2.7
115.05457	2.3
116.98587	2.4
117.06995	14.1
118.07861	2.0
119.08561	34.9
121.06470	15.9
121.10126	17.1
122.07267	2.2
123.08023	8.7
123.11679	74.5
125.05977	2.8
125.09643	3.3
127.07561	2.8
128.06226	3.7
129.07008	9.9
130.07710	1.9
131.08551	24.9
133.06554	2.9
133.10121	24.4
135.08055	8.1
135.11673	12.7
137.05966	2.5
137.09630	9.3
141.06943	2.4
142.07759	3.9
143.08545	21.4
145.06424	2.5
145.10092	36.3
147.08037	8.3
147.11656	15.0
149.09622	4.4
149.13234	8.4
151.11189	3.0
155.08501	4.3
156.09306	2.3
157.10092	13.4
157.16641	1.8
158.05763	1.8
159.08049	3.2
159.11635	16.4
161.09598	3.3
161.13242	7.5
163.07533	2.2
163.11201	8.5
165.09161	2.0
169.10164	2.0
170.44043	1.9
171.11687	10.5
172.12521	2.1
173.09538	2.6
173.13281	10.6
175.11095	2.3
175.14835	4.5
177.12706	3.4
183.11797	2.0
185.13283	2.9
187.14833	17.8
189.16475	2.1
191.14250	9.8
197.13210	2.2
199.14821	3.6
206.16658	10.9
213.16252	3.1
215.14348	3.0
231.17404	9.6
247.16876	3.3
257.22696	2.9
311.02338	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81581	1.0
55.05505	18.4
57.03423	5.5
57.07059	6.0
65.03933	2.2
65.59861	0.9
67.05493	88.8
69.07056	21.2
71.04964	2.6
79.05477	47.9
81.07037	100.0
83.04964	1.6
83.08614	7.6
85.02942	1.3
85.06538	2.4
91.05461	25.2
93.07024	79.6
95.04956	5.3
95.08584	70.4
97.06505	2.3
97.10153	1.7
103.05450	1.6
105.07014	27.8
107.08574	43.2
109.06519	4.4
109.10139	31.0
113.09606	1.2
117.06982	13.2
119.08555	17.1
121.10120	32.2
123.11703	13.0
129.06964	1.2
131.08545	23.5
133.10098	19.7
133.30473	1.2
135.11667	27.4
137.13242	5.1
138.40764	1.0
139.88324	1.4
143.08516	1.7
145.10100	17.6
147.11659	14.1
149.13243	15.4
153.91260	1.2
157.10049	1.6
159.11670	15.0
161.13252	8.1
163.14749	8.3
169.10123	1.2
171.11588	1.2
173.13193	11.2
175.11086	1.5
175.14810	1.8
177.16411	1.2
179.14241	1.3
187.14828	7.0
201.16360	2.2
233.22432	1.4
243.21039	19.1
261.22073	55.2
279.23254	1.9
335.25629	8.6
353.13858	8.4
353.26730	20.2
358.31967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.0
56.96563	41.2
65.20852	0.7
67.05473	3.3
69.03438	0.7
69.07070	1.3
71.04998	8.0
71.95242	1.5
79.05482	4.3
81.07044	8.0
83.08608	0.9
85.06520	8.4
91.05447	4.9
92.09088	5.0
93.07038	8.4
95.04968	1.4
95.08582	4.8
98.97570	100.0
100.31613	0.7
105.07005	7.0
107.08568	10.0
109.06521	0.8
109.10136	1.3
110.18220	0.8
110.38970	0.8
115.00688	3.2
116.98605	69.6
117.06990	1.1
119.01692	1.8
119.08561	4.2
119.50317	0.8
121.10120	4.5
124.99124	5.6
127.00678	4.1
129.06984	0.9
129.99231	0.9
130.07780	1.3
131.00105	1.1
131.04907	1.1
131.08598	2.8
133.01727	1.3
133.10120	1.7
134.99641	32.5
137.02730	11.1
141.02213	17.0
141.42259	0.8
143.00154	19.4
143.08546	0.8
145.01688	3.3
145.10104	4.8
149.01208	1.0
149.47710	0.8
153.00677	4.9
155.03780	7.5
157.10129	0.8
159.03273	35.6
159.11641	1.8
161.01192	18.9
163.02736	1.1
167.03720	1.0
169.01682	5.0
171.03157	1.0
177.04361	6.5
179.02255	4.5
181.65581	0.9
183.03275	3.2
185.04842	1.6
187.02762	18.1
201.04272	7.5
205.03842	4.9
209.08492	5.1
211.06403	16.1
223.37836	0.7
227.09500	4.9
229.07451	23.9
247.08493	1.5
253.07314	5.5
271.08466	7.0
275.13046	1.1
293.14157	5.4
317.14142	6.1
335.15298	14.3
353.02548	0.8
353.16296	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91597	3.8
54.82307	5.1
55.05510	6.4
56.96561	6.0
57.03413	20.5
59.06774	3.6
60.98514	3.2
61.02893	3.8
67.05490	30.5
69.03411	23.6
69.07042	26.6
71.04984	44.1
72.74614	3.4
73.02893	22.3
76.42876	3.9
79.05472	51.0
81.04530	5.1
81.07036	34.1
83.04967	15.6
85.02889	6.1
85.06525	7.8
87.04456	41.0
91.05482	5.0
91.42374	3.8
93.07029	76.9
95.08584	55.3
97.02837	5.2
97.06535	16.6
98.97591	6.3
107.08609	5.3
109.06463	5.2
109.10129	9.0
110.06841	4.9
115.03893	36.6
121.10117	100.0
127.07533	20.5
128.07893	6.3
139.11153	79.5
157.08662	4.4
157.12221	91.3
185.11708	39.4
203.12778	80.3
221.13773	26.3
258.09488	4.1
277.79932	4.5
335.12262	6.7
353.08423	5.7
353.12674	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	353.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05762	0.4
52.46378	0.4
62.13361	0.5
67.05489	0.5
81.07034	3.0
96.44584	0.5
104.23602	0.5
105.07027	0.7
110.39338	0.6
137.29015	0.5
201.05180	9.9
216.07558	100.0
217.08244	3.8
234.08690	2.2
272.01184	0.6
338.92618	0.6
353.20816	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	1.6
55.01854	0.9
55.05502	15.7
57.03423	7.7
57.07071	5.6
65.03920	1.5
67.05489	89.8
69.07050	14.0
71.04961	1.8
74.77737	0.6
75.04440	0.9
79.05467	49.6
81.07035	100.0
82.77633	0.8
83.04949	0.8
83.08603	9.5
85.06528	1.8
91.05453	23.6
93.07018	62.0
95.04938	6.4
95.08581	69.9
97.06484	1.4
97.10128	3.1
99.08041	1.1
102.49883	0.7
105.07012	16.2
107.08574	35.7
109.06490	1.1
109.10136	32.2
111.08032	0.9
117.06998	10.5
119.08558	15.2
121.10120	26.2
123.11672	11.6
125.09605	1.1
131.08537	19.9
133.10103	13.1
135.11668	21.2
137.09636	0.9
137.13232	3.9
145.10097	13.2
147.11671	8.8
149.13243	14.7
151.11128	0.9
157.10091	0.7
159.11653	10.8
161.13194	6.5
163.14793	7.3
173.13219	11.7
177.16241	1.3
187.14758	4.8
191.14255	0.9
201.16342	3.0
221.61273	0.8
243.21039	14.4
261.22064	40.7
279.23129	2.9
335.25720	8.3
353.26785	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	1.2
55.05264	0.9
55.05509	14.9
55.95786	0.7
56.96551	0.9
57.03435	6.9
57.07066	4.2
63.26957	0.6
64.33270	0.7
65.03925	2.7
67.05496	91.2
69.07058	13.5
71.04987	1.4
71.08616	0.8
75.04476	1.2
76.75735	0.6
76.80114	0.6
79.05480	45.0
81.07043	100.0
83.04972	0.9
83.08598	7.1
85.06522	1.5
91.05464	21.7
92.01206	0.6
93.07029	56.3
95.04948	3.4
95.08589	65.3
97.06530	2.8
97.10182	1.5
98.97570	3.9
99.08101	1.4
105.07016	16.9
107.08580	35.7
108.46325	0.6
109.06519	1.6
109.09397	1.0
109.10149	30.8
116.98611	3.2
117.07000	9.7
119.08569	14.0
121.10126	28.6
123.08025	1.4
123.11688	14.6
131.08546	20.1
133.10124	11.6
135.11679	21.9
137.09570	0.8
137.13255	4.6
145.10117	11.9
147.11656	7.0
149.13234	13.8
153.12781	0.9
159.11668	10.2
161.13271	6.0
163.11168	1.0
163.14789	8.7
165.12700	0.8
173.13261	9.5
175.14810	1.6
177.16345	3.2
185.13052	0.8
187.14774	5.9
191.52142	0.8
201.16409	3.0
205.15829	1.1
233.22672	1.5
243.21059	14.7
261.22107	45.7
279.23126	1.3
335.25769	9.0
353.26868	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	353.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49541	1.6
52.58799	1.6
55.05495	4.1
56.96553	49.1
57.07048	2.2
59.50580	1.8
59.85037	1.5
67.05489	7.9
69.07056	8.3
70.95832	2.2
79.05476	12.5
81.07052	21.8
81.67622	2.0
83.04956	2.9
91.05462	9.0
93.07032	19.1
95.04952	3.2
95.08581	14.1
97.14906	2.3
98.97569	75.3
105.03360	3.0
105.07007	23.3
107.08560	16.9
109.06512	4.1
109.10140	11.3
112.99099	4.3
116.98605	68.0
117.07014	3.2
119.08563	16.9
121.06501	3.7
121.10141	4.5
123.11675	4.4
124.99104	11.4
129.06969	3.4
129.99376	16.8
131.00128	10.4
131.08559	9.2
133.10123	16.8
134.99631	38.1
135.11664	11.2
141.02255	4.5
143.00146	40.6
143.08528	3.4
145.10101	9.7
147.11635	4.2
148.00406	23.3
149.01236	3.9
149.09608	4.2
149.13287	2.8
151.11227	4.2
153.00699	2.2
157.01537	2.1
157.10092	2.7
159.03250	19.8
161.01205	53.9
166.01442	3.1
167.03751	10.5
171.03217	10.7
173.13226	3.2
175.06413	4.1
175.14906	2.1
177.04352	2.0
179.02345	7.0
183.03302	2.3
185.04834	27.3
193.05292	2.7
197.13309	2.2
211.06396	55.8
212.71443	2.3
229.07446	47.1
243.06757	2.5
247.08607	2.5
253.07430	84.0
271.08493	100.0
271.11398	3.8
293.11768	3.7
294.10046	3.6
302.75702	2.3
311.15326	3.8
335.15125	4.7
353.16495	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	353.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05502	5.6
56.96556	42.3
57.03453	1.5
57.07067	2.7
58.74706	1.1
65.03933	1.1
67.05487	21.4
69.07056	10.5
73.52269	1.2
73.83379	1.4
79.05479	17.8
81.07030	26.8
83.04978	1.9
84.96039	1.4
88.04824	1.3
91.05464	14.4
93.07020	22.7
95.04938	5.9
95.08579	25.4
97.06499	2.5
98.97559	72.8
103.96033	1.4
105.07008	19.1
107.08578	19.4
109.06482	2.9
109.10133	13.9
111.98314	2.2
112.99156	3.0
115.00681	2.6
116.98599	65.2
117.07019	5.7
119.08537	15.7
121.10098	9.9
123.11685	1.8
124.99097	12.6
129.07005	1.4
129.99364	18.8
131.00150	8.5
131.08546	9.7
133.10083	11.6
134.99629	41.1
135.11629	9.3
137.09583	3.5
141.02197	3.4
142.45839	1.3
143.00139	50.5
145.10126	7.8
147.11710	5.9
148.00427	26.5
149.01201	5.8
149.09665	2.8
149.13281	2.0
153.00687	2.7
157.10115	2.3
157.55356	1.4
158.01190	1.9
159.03252	11.7
159.11699	7.1
161.01176	63.0
161.13306	2.2
161.98381	1.8
165.93880	1.5
166.01486	3.0
167.03763	7.5
167.10614	1.8
169.01582	2.1
171.03302	7.5
171.11732	1.4
173.13258	2.6
175.06438	5.8
179.02261	10.2
184.02655	1.7
184.28879	1.6
185.04825	21.2
185.13156	1.7
193.05447	3.2
193.07321	1.9
194.83545	1.6
203.02347	1.7
203.05855	2.7
211.06361	41.8
229.07449	45.9
243.20982	1.7
247.08583	6.7
253.07410	57.3
261.22183	8.0
271.08469	100.0
286.50757	1.3
289.09525	2.2
294.10092	3.0
300.20218	1.4
311.15219	2.5
320.59763	1.7
353.16379	35.9
371.17297	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.1
56.96561	38.8
57.41180	1.2
57.97322	1.4
59.40227	1.5
67.05492	3.7
69.03391	1.8
69.07034	2.8
74.97561	1.2
79.05482	3.6
81.07058	13.3
82.96978	1.3
84.96026	1.6
91.05451	3.7
92.09383	1.7
93.07037	13.6
95.08570	6.1
98.97571	100.0
105.07022	9.8
107.08580	8.1
109.10149	2.8
111.08073	1.6
111.98324	3.1
112.99105	6.0
115.00641	2.5
116.98607	74.3
119.08545	8.9
121.10136	2.9
123.11672	1.5
124.99120	19.8
128.55194	1.4
129.99388	14.2
131.00169	7.9
133.01747	2.2
133.10127	3.0
134.99641	31.8
135.11655	1.5
141.02216	11.4
143.00148	51.0
145.01817	1.8
145.10139	3.4
147.11613	1.7
148.00436	17.8
149.01245	7.6
149.09669	1.5
150.56239	1.7
153.00691	2.6
153.02246	2.2
159.03307	19.3
159.11639	2.0
161.01208	45.6
161.98245	2.2
166.01527	2.2
167.03792	10.1
171.03311	2.5
177.04330	3.6
179.02232	7.4
183.03119	2.2
184.00607	1.6
185.04846	24.7
193.05338	3.2
198.08310	1.7
201.37286	1.6
203.05905	6.0
211.06387	53.1
227.09628	2.1
229.07457	52.1
247.08434	3.3
253.07420	47.6
267.09067	2.3
271.08484	55.6
293.14337	2.7
307.11847	1.6
317.14249	17.3
335.15195	35.6
353.16299	92.4
371.17465	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20441	0.4
55.05503	1.2
56.96556	41.0
60.69713	0.4
63.20076	0.5
67.05480	2.2
69.07060	0.6
71.04965	0.5
71.95237	2.9
79.05470	3.3
79.83163	0.6
81.07043	5.9
83.04935	0.5
91.05437	4.4
93.07025	6.5
95.04938	2.7
95.08581	4.8
98.97562	100.0
105.07005	6.1
107.07517	0.5
107.08587	3.3
109.10163	2.0
115.00687	3.0
116.12930	0.6
116.63457	0.5
116.98599	85.3
117.06999	0.8
119.08573	3.6
121.10133	1.8
121.74394	0.6
127.00669	0.6
129.06976	0.7
131.08536	0.7
133.01709	2.8
133.10114	2.3
134.99634	51.3
135.11662	1.1
137.02731	2.2
140.00166	1.2
143.51761	0.4
145.01750	1.0
145.10060	0.5
149.09558	0.6
151.00702	0.5
151.02791	0.5
153.00684	8.2
153.02025	0.8
155.03778	3.2
158.01221	2.1
159.03282	1.8
161.04846	0.7
165.02216	0.7
167.03838	0.6
171.03305	2.4
173.04840	1.8
183.03276	2.3
185.04842	2.5
189.04405	0.6
195.06935	0.6
197.04880	0.6
199.06418	0.9
201.04282	2.7
201.07938	0.9
213.07968	2.5
215.05910	1.8
225.08037	0.7
235.09995	3.8
237.08032	0.6
239.05870	0.5
239.48663	0.5
243.09003	0.7
253.11072	3.0
275.13150	0.8
277.11166	0.7
289.17993	0.5
291.97562	0.5
293.14255	2.8
295.12451	0.5
317.14166	12.8
335.15182	4.5
353.16269	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	353.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20441	0.4
55.05503	1.2
56.96556	41.0
60.69713	0.4
63.20076	0.5
67.05480	2.2
69.07060	0.6
71.04965	0.5
71.95237	2.9
79.05470	3.3
79.83163	0.6
81.07043	5.9
83.04935	0.5
91.05437	4.4
93.07025	6.5
95.04938	2.7
95.08581	4.8
98.97562	100.0
105.07005	6.1
107.07517	0.5
107.08587	3.3
109.10163	2.0
115.00687	3.0
116.12930	0.6
116.63457	0.5
116.98599	85.3
117.06999	0.8
119.08573	3.6
121.10133	1.8
121.74394	0.6
127.00669	0.6
129.06976	0.7
131.08536	0.7
133.01709	2.8
133.10114	2.3
134.99634	51.3
135.11662	1.1
137.02731	2.2
140.00166	1.2
143.51761	0.4
145.01750	1.0
145.10060	0.5
149.09558	0.6
151.00702	0.5
151.02791	0.5
153.00684	8.2
153.02025	0.8
155.03778	3.2
158.01221	2.1
159.03282	1.8
161.04846	0.7
165.02216	0.7
167.03838	0.6
171.03305	2.4
173.04840	1.8
183.03276	2.3
185.04842	2.5
189.04405	0.6
195.06935	0.6
197.04880	0.6
199.06418	0.9
201.04282	2.7
201.07938	0.9
213.07968	2.5
215.05910	1.8
225.08037	0.7
235.09995	3.8
237.08032	0.6
239.05870	0.5
239.48663	0.5
243.09003	0.7
253.11072	3.0
275.13150	0.8
277.11166	0.7
289.17993	0.5
291.97562	0.5
293.14255	2.8
295.12451	0.5
317.14166	12.8
335.15182	4.5
353.16269	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	353.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
56.96558	45.3
57.07093	0.8
67.05486	3.3
69.07069	1.6
71.95252	1.5
72.30407	0.8
74.97600	1.1
79.05470	1.8
81.03477	0.9
81.07026	7.8
83.08603	1.6
91.05453	1.8
93.07012	8.6
95.04948	2.1
95.08591	4.3
98.97561	30.7
105.07014	4.4
107.08577	4.8
109.06496	3.5
109.10133	4.1
111.08047	1.0
112.99102	1.4
115.00681	4.5
116.98604	21.3
119.08571	2.1
121.10103	1.3
124.99097	18.3
127.00574	1.3
129.02235	1.0
129.99336	2.0
131.00150	1.6
133.01753	3.3
133.10101	3.5
134.99641	12.1
137.09583	1.6
139.11115	1.2
139.58397	0.9
141.02223	5.7
143.00148	75.9
143.03792	3.0
145.01692	1.5
145.10033	1.4
147.03284	3.1
148.00453	3.9
149.01241	1.1
151.11172	1.2
153.02214	1.5
155.03734	1.1
159.03241	9.6
159.11646	1.0
159.23665	0.8
161.01195	85.3
161.04794	6.8
163.11176	1.0
167.03799	4.0
171.03282	1.2
173.04842	3.6
177.04298	1.7
179.02245	14.2
179.05867	1.2
180.66858	0.8
183.03279	3.1
184.02820	1.2
185.04794	7.0
187.06447	1.7
201.04291	1.8
201.08025	1.1
203.05843	1.8
211.06381	16.4
213.08064	3.3
223.10144	1.6
225.07819	1.0
229.07449	49.0
231.09053	2.1
235.66386	0.9
241.11140	8.0
244.06082	1.3
247.08528	13.0
253.07385	7.1
259.12115	7.8
271.08313	6.0
275.13074	1.2
293.14212	4.5
311.15201	6.3
317.14142	1.1
335.15222	29.0
353.16302	100.0
353.23129	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	353.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01894	1.1
55.05501	1.7
56.44447	1.3
56.96556	44.5
59.91455	1.2
61.87281	1.1
63.98244	1.1
67.05492	7.3
67.63035	1.1
69.07054	5.6
71.04982	1.2
78.81963	1.3
79.05488	11.3
80.03190	1.2
81.07035	20.2
83.04991	1.8
83.08617	2.6
88.94850	1.5
91.05454	9.2
93.07024	16.8
95.04957	14.2
95.08584	7.7
98.97563	100.0
103.05502	1.5
105.07004	12.5
107.08576	12.0
109.06568	1.8
109.10146	5.7
111.08100	1.7
111.98331	1.6
112.99107	5.3
115.00694	1.7
116.32470	1.3
116.98597	67.1
117.06963	1.7
119.01884	1.9
119.08562	8.7
121.10149	5.5
123.04409	10.0
123.08062	1.6
123.11758	1.5
124.99088	18.8
127.18702	1.2
129.99368	10.2
131.00166	12.5
131.04895	1.3
131.08508	2.1
133.10120	6.5
134.99634	34.9
135.11702	3.0
137.09575	2.0
140.04672	1.5
141.02232	3.0
141.07002	1.6
142.99004	2.0
143.00143	54.4
145.10045	2.1
148.00398	16.8
149.01163	5.6
149.09554	1.8
151.11285	1.8
153.00677	2.9
155.07034	2.7
159.03276	8.2
161.01175	57.3
161.98293	1.5
167.03798	7.3
173.01178	2.6
179.02261	9.3
183.06514	7.9
185.04868	11.8
191.02374	4.4
193.05385	2.2
203.05862	2.7
211.06366	28.4
227.09508	2.2
229.07425	43.0
229.09589	2.1
247.08429	6.3
253.07419	31.5
267.09262	1.6
271.08493	57.3
289.09622	2.1
293.14304	1.5
315.20306	1.6
317.14117	9.9
335.15195	36.3
353.16281	86.2
371.17416	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	353.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	1.4
56.96560	35.6
67.05493	4.5
67.46577	1.1
69.07044	1.6
75.90514	1.3
79.05460	2.3
81.07050	12.1
83.08612	1.2
91.05461	2.6
93.07013	10.0
95.04951	1.5
95.08585	6.4
98.97568	100.0
105.07000	5.6
107.08604	2.3
107.09321	1.0
109.06480	2.1
109.10172	2.9
111.98335	1.4
115.00668	1.3
116.98608	66.4
117.21336	1.2
119.08566	5.0
124.99094	17.7
129.99382	10.8
131.00169	2.4
131.08566	1.4
133.10141	2.7
134.99635	29.8
137.09601	1.5
143.00153	58.1
145.01701	1.3
145.10152	1.9
147.11655	1.6
148.00439	9.8
148.01492	1.5
149.01141	1.8
153.00719	5.3
153.02211	1.4
156.01118	1.3
159.03299	2.8
159.11708	1.7
161.01190	46.4
161.98343	1.9
162.30617	1.1
163.11159	1.5
166.01521	1.5
167.03731	5.5
171.03291	4.9
179.02242	7.8
185.04800	11.1
193.05360	4.9
195.05019	1.3
211.06401	25.0
229.07430	29.8
247.08521	4.8
253.07446	25.1
267.09039	2.4
271.08459	44.1
285.09967	1.3
289.09592	2.4
311.15103	1.8
317.14120	12.9
335.15240	32.6
353.16290	64.8
371.17334	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	353.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50539	1.9
55.01870	3.5
55.05505	17.2
55.93524	9.4
56.94319	4.5
56.96555	14.4
57.07067	4.9
59.04971	2.7
67.05492	27.4
69.03419	3.1
69.07065	20.1
70.76985	2.2
70.95854	28.0
71.04959	3.2
72.93780	30.1
79.05477	30.1
81.03412	4.6
81.07042	64.6
83.04969	3.0
83.72556	2.3
85.06543	5.1
85.85315	2.3
88.96896	13.3
90.94797	19.4
91.05470	50.4
92.09299	5.5
93.07030	100.0
95.04962	17.8
95.08605	33.9
97.06543	5.6
97.10166	3.9
98.97541	3.0
103.05489	2.3
105.07023	70.9
106.07371	3.4
106.97922	2.6
107.08582	63.6
108.08887	2.7
108.95850	2.9
109.06506	9.4
109.10132	32.4
111.04474	2.5
111.08076	4.6
116.98592	4.2
117.07029	4.9
119.01891	3.5
119.08562	53.1
121.09375	2.5
121.10113	22.0
123.08069	3.2
123.11710	10.5
128.96323	3.8
129.06949	4.1
130.97897	5.6
131.04889	3.0
131.08563	12.3
132.95885	3.6
133.10132	38.0
134.97417	2.6
134.99706	3.0
135.11661	27.4
138.98395	9.4
139.07564	2.2
139.85760	2.4
142.97896	17.0
143.08519	8.2
145.10130	12.7
146.22021	2.2
146.97446	2.8
147.11667	18.8
148.99019	16.6
149.00438	3.2
149.09677	5.1
150.96968	9.2
150.98308	2.5
152.79021	2.2
156.99420	5.1
157.10072	5.0
158.97395	3.6
159.01056	10.9
159.11691	8.7
160.06293	2.2
160.98940	9.9
161.13286	4.4
163.02092	10.0
163.11212	2.9
164.99974	3.6
165.08917	2.2
166.97897	12.3
169.10129	2.8
175.00446	2.8
179.01541	9.3
180.99466	10.3
183.00974	3.0
183.98163	2.8
184.98955	10.1
185.13080	2.7
189.03659	2.3
192.99432	23.7
194.59708	2.3
195.01117	4.8
197.02608	4.4
199.00534	5.6
201.02104	3.1
201.09612	8.2
201.16341	3.0
203.05232	10.0
207.01038	21.6
213.03665	3.2
219.00977	3.7
221.02632	15.2
235.04123	5.5
237.02191	5.2
241.06781	3.5
250.28679	3.0
253.06706	9.7
255.08252	13.4
257.10019	2.8
273.09378	3.8
275.10931	57.9
290.40750	2.5
293.11990	55.5
306.20032	2.4
311.15314	2.7
311.54605	2.8
312.85220	2.3
317.11954	44.5
333.60660	2.3
335.12982	5.1
353.16315	4.8
353.28329	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	353.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50539	1.9
55.01870	3.5
55.05505	17.2
55.93524	9.4
56.94319	4.5
56.96555	14.4
57.07067	4.9
59.04971	2.7
67.05492	27.4
69.03419	3.1
69.07065	20.1
70.76985	2.2
70.95854	28.0
71.04959	3.2
72.93780	30.1
79.05477	30.1
81.03412	4.6
81.07042	64.6
83.04969	3.0
83.72556	2.3
85.06543	5.1
85.85315	2.3
88.96896	13.3
90.94797	19.4
91.05470	50.4
92.09299	5.5
93.07030	100.0
95.04962	17.8
95.08605	33.9
97.06543	5.6
97.10166	3.9
98.97541	3.0
103.05489	2.3
105.07023	70.9
106.07371	3.4
106.97922	2.6
107.08582	63.6
108.08887	2.7
108.95850	2.9
109.06506	9.4
109.10132	32.4
111.04474	2.5
111.08076	4.6
116.98592	4.2
117.07029	4.9
119.01891	3.5
119.08562	53.1
121.09375	2.5
121.10113	22.0
123.08069	3.2
123.11710	10.5
128.96323	3.8
129.06949	4.1
130.97897	5.6
131.04889	3.0
131.08563	12.3
132.95885	3.6
133.10132	38.0
134.97417	2.6
134.99706	3.0
135.11661	27.4
138.98395	9.4
139.07564	2.2
139.85760	2.4
142.97896	17.0
143.08519	8.2
145.10130	12.7
146.22021	2.2
146.97446	2.8
147.11667	18.8
148.99019	16.6
149.00438	3.2
149.09677	5.1
150.96968	9.2
150.98308	2.5
152.79021	2.2
156.99420	5.1
157.10072	5.0
158.97395	3.6
159.01056	10.9
159.11691	8.7
160.06293	2.2
160.98940	9.9
161.13286	4.4
163.02092	10.0
163.11212	2.9
164.99974	3.6
165.08917	2.2
166.97897	12.3
169.10129	2.8
175.00446	2.8
179.01541	9.3
180.99466	10.3
183.00974	3.0
183.98163	2.8
184.98955	10.1
185.13080	2.7
189.03659	2.3
192.99432	23.7
194.59708	2.3
195.01117	4.8
197.02608	4.4
199.00534	5.6
201.02104	3.1
201.09612	8.2
201.16341	3.0
203.05232	10.0
207.01038	21.6
213.03665	3.2
219.00977	3.7
221.02632	15.2
235.04123	5.5
237.02191	5.2
241.06781	3.5
250.28679	3.0
253.06706	9.7
255.08252	13.4
257.10019	2.8
273.09378	3.8
275.10931	57.9
290.40750	2.5
293.11990	55.5
306.20032	2.4
311.15314	2.7
311.54605	2.8
312.85220	2.3
317.11954	44.5
333.60660	2.3
335.12982	5.1
353.16315	4.8
353.28329	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	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.8
53.03930	4.0
55.01881	0.9
55.05499	5.2
57.07061	4.1
59.05015	0.8
65.03919	1.8
65.74098	0.7
67.05490	55.4
67.05851	2.1
69.03403	1.5
69.07051	7.1
79.05472	56.5
81.03397	0.8
81.07037	78.7
83.04968	4.9
85.06528	1.2
91.05462	13.4
93.03382	3.9
93.07023	44.9
95.04931	7.3
95.08580	17.5
97.06525	1.7
101.49789	0.8
105.07011	15.3
107.04935	2.0
107.08575	23.3
109.06503	41.8
109.07240	1.4
109.10165	3.5
111.04423	22.4
119.08545	2.1
121.10122	27.9
123.04427	1.2
123.11670	1.4
125.05964	5.1
131.08527	5.6
133.10097	1.8
135.11658	22.8
135.30673	0.9
139.11139	1.4
149.09596	25.3
151.11105	1.3
167.10641	100.0
169.14813	1.0
182.17882	0.8
222.03250	0.8
232.73373	0.8
296.51028	1.0
301.21555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42960	0.7
53.00300	1.5
55.01868	8.0
55.05505	4.7
57.07061	1.1
59.05005	0.8
67.05492	3.5
69.03429	0.9
69.07063	7.5
71.04977	18.3
79.05477	14.3
79.72275	0.8
81.07041	41.5
83.04968	1.6
83.08622	1.6
85.06512	0.9
91.05463	4.8
93.07023	14.9
95.04948	4.4
95.08599	11.1
97.06528	2.2
99.04446	1.1
99.08076	100.0
105.06999	12.4
107.04961	3.7
107.08575	9.5
109.06510	11.2
109.10136	9.9
117.06961	2.0
119.08561	6.9
121.06489	17.9
121.10123	7.9
123.08044	1.8
123.11716	7.6
125.06010	2.2
127.07533	92.9
131.08577	4.3
132.62955	0.9
133.10141	7.0
135.08037	5.0
135.11671	5.0
135.45345	0.9
137.05960	10.7
137.09654	0.9
137.13261	2.1
145.10149	4.6
147.08067	3.9
147.11646	2.1
149.09618	2.0
151.07500	1.0
151.11171	1.7
157.10086	3.4
158.07220	1.1
159.08008	4.1
159.11682	1.3
161.13217	6.9
163.07515	1.9
163.11105	1.0
163.14857	2.2
165.09123	3.7
171.08109	0.9
171.11699	1.0
173.13193	1.2
175.14821	1.4
177.09039	1.2
179.14281	1.3
183.11746	1.8
185.13258	1.6
189.12761	5.7
191.14293	5.4
201.12758	3.6
209.15337	5.1
211.14818	1.4
213.12729	3.6
229.12245	8.5
229.15942	4.5
231.13811	1.2
247.16885	12.8
271.20605	8.7
273.18402	1.5
279.03104	1.0
289.21521	1.3
299.20020	17.1
317.21069	46.1
317.24741	1.9
335.22141	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	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81361	0.5
52.87407	0.5
53.00304	0.8
53.03936	4.4
55.01876	0.5
55.05504	4.5
57.07058	2.8
57.58850	0.5
65.03920	4.1
67.05492	50.1
69.03401	1.5
69.07053	7.7
71.04974	0.8
73.02884	1.1
77.22307	0.5
79.05476	55.2
81.07037	84.8
83.04506	0.7
83.04947	4.9
85.02921	0.6
85.06526	0.7
91.05452	14.5
93.03368	5.2
93.07021	48.9
95.04944	6.9
95.08587	15.3
97.06509	3.1
103.05429	0.9
105.07007	13.0
107.04917	2.8
107.07870	0.9
107.08576	22.1
109.06502	44.9
109.10130	3.7
110.07299	0.7
111.04424	21.8
111.08010	1.2
119.08563	4.3
121.06446	0.7
121.10118	31.6
123.08037	1.1
123.11653	2.7
124.05173	1.2
125.05974	5.3
127.07476	0.8
131.08533	6.6
133.10114	3.9
135.11664	21.6
147.11719	0.9
149.09592	24.7
151.11208	1.0
167.10643	100.0
204.01073	0.6
224.64319	0.6
301.21664	2.2
337.25323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97552	0.4
53.03938	0.6
53.52147	0.4
54.81870	0.6
55.05508	3.5
57.03427	4.9
58.49210	0.4
59.04979	0.6
62.45858	0.4
66.64698	0.4
67.05145	0.9
67.05493	24.6
69.03416	3.8
69.07063	4.7
71.04977	3.7
73.02892	2.1
79.05473	2.8
79.91262	0.4
81.03413	1.0
81.07040	30.5
83.04967	0.5
83.08600	1.9
84.60404	0.5
85.02888	9.2
85.06527	0.6
85.70619	0.5
87.04433	1.1
91.05452	0.5
93.07017	3.9
95.04945	3.8
95.08587	9.5
97.02870	3.2
97.06493	0.7
99.04435	2.4
105.07047	0.7
107.08598	2.1
109.02915	0.5
109.06490	1.0
109.10143	100.0
111.08061	2.2
113.05986	1.9
113.09610	0.6
115.03875	0.7
119.08578	0.7
121.10112	3.4
127.03882	0.8
127.11161	3.3
136.75803	0.5
137.09601	28.3
137.13243	2.6
139.11160	2.7
145.04951	1.0
155.10645	26.0
155.14291	3.4
157.12206	3.5
173.11703	2.6
178.23807	0.5
203.12746	3.7
296.81415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	2.4
55.05502	4.1
57.03427	3.7
59.04996	0.6
61.02923	1.0
66.22625	0.5
67.05492	26.1
68.78586	0.6
69.03089	0.8
69.03403	6.3
69.07053	6.7
71.04975	16.7
76.35703	0.5
79.05479	3.0
81.03395	1.0
81.07040	24.5
83.04974	2.8
83.05461	0.6
83.08583	0.6
85.02892	10.2
85.06544	1.1
87.04452	1.0
89.00796	0.7
91.05460	6.8
93.07022	11.7
95.04961	1.5
95.08585	40.8
97.02881	2.4
97.06505	2.9
99.04430	6.4
99.08086	3.3
101.06045	0.8
107.08604	3.5
109.02867	1.1
109.06478	1.0
109.10143	92.5
110.06002	0.8
111.08069	25.7
113.06003	1.2
114.01949	0.6
119.08555	16.5
125.09602	2.5
127.03897	0.9
127.11191	3.2
135.11646	0.7
136.12019	0.8
137.09601	58.1
137.13206	1.3
145.04945	0.6
153.12744	2.4
154.13107	1.0
155.10649	100.0
162.05501	1.1
173.11702	42.9
190.04982	0.9
251.58711	0.7
299.14734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75837	0.6
53.03949	0.6
55.05500	13.3
57.03420	4.3
57.06810	0.9
57.07064	17.3
59.04988	11.4
61.02917	1.5
61.54116	0.6
65.16393	0.6
65.42521	0.6
67.05490	23.3
69.03408	3.2
69.07053	26.3
71.04973	23.4
73.06553	5.4
74.86388	0.5
81.03396	1.1
81.07042	5.8
83.04967	1.6
83.08599	33.5
85.02888	11.2
85.06527	37.2
87.04446	0.7
93.07039	1.1
95.04969	1.0
95.08596	4.7
95.49702	0.7
97.02875	2.9
97.06508	0.7
99.04418	6.1
99.08064	3.9
101.06004	11.8
101.09605	1.4
107.08562	0.8
109.02905	0.7
109.10139	95.9
111.08076	0.6
111.11717	1.2
113.05985	35.3
113.09631	1.0
122.86090	0.7
127.03886	1.1
127.11189	6.1
127.12009	0.6
129.09090	46.4
137.09587	5.9
143.25537	0.6
151.17638	0.7
155.10641	100.0
173.11691	89.9
194.30602	0.6
260.54886	0.7
288.12283	1.0
300.42917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09326	0.5
55.01855	0.9
55.05500	0.9
57.03415	2.8
57.07043	0.8
58.06575	3.4
58.79870	0.5
60.04506	1.5
61.02907	3.2
64.35841	0.6
67.05491	4.9
69.03413	8.2
69.07047	1.3
70.06564	0.7
71.04971	1.0
72.08131	1.0
73.02879	1.5
74.09709	1.4
79.05473	5.4
81.03380	3.2
81.07036	28.5
84.08125	17.5
85.02890	18.3
85.06527	26.9
86.09705	0.7
91.03927	0.8
91.05465	14.4
93.07034	5.5
95.04955	5.7
97.02876	7.0
98.83698	0.7
98.97552	0.8
99.04415	1.2
102.08505	0.9
102.09157	19.9
103.03900	0.9
103.27374	0.5
106.87362	0.6
107.04924	1.1
107.68523	0.5
109.02871	2.8
109.06496	37.0
111.67667	0.6
112.07561	0.7
113.06006	1.0
116.98564	0.9
118.91188	0.6
119.04934	11.9
122.44037	0.7
126.12753	5.3
127.03880	3.3
127.07521	2.5
137.05951	78.1
139.07504	1.0
141.30672	0.6
144.04433	6.8
144.10173	29.6
144.13828	12.9
145.04913	2.7
145.08449	1.0
148.09666	6.4
153.05437	3.4
154.05757	0.9
155.07005	90.0
162.05472	100.0
163.05949	0.9
172.13278	0.6
173.06631	1.2
173.08064	33.3
189.00696	0.7
190.04953	87.2
190.10686	19.1
190.14348	8.3
221.43916	0.8
245.58728	0.6
352.10208	1.4
352.19855	1.0
353.08429	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	352.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19474	0.1
53.03933	0.8
53.05106	0.1
55.01861	1.0
55.05481	0.3
57.03436	1.6
59.04988	0.2
61.02920	2.3
67.05485	0.3
69.03414	6.4
69.07047	0.9
71.04977	1.0
73.02893	1.1
76.87054	0.2
79.05467	0.2
81.03407	2.5
81.07042	1.4
83.04972	0.3
85.02895	10.5
85.06521	0.3
87.04464	0.9
89.03900	0.3
91.03938	0.2
91.05447	0.4
93.07011	1.3
95.04944	0.7
95.08599	1.4
97.02874	3.9
97.06519	0.3
98.88403	0.2
99.04420	1.0
99.30431	0.2
101.02379	0.2
107.08542	0.2
109.02891	1.5
109.06504	0.8
109.10137	1.1
113.79777	0.2
119.08542	0.3
127.03875	1.8
135.04439	0.3
135.11710	0.2
137.09563	0.6
144.04443	2.3
144.08080	0.5
145.04958	1.0
153.12729	0.2
154.13084	0.2
155.01616	0.2
155.06970	1.5
155.10654	0.7
162.05438	1.6
163.03844	0.7
172.07550	100.0
173.08051	1.3
173.11711	0.3
190.08606	24.7
261.11819	0.3
296.23825	0.2
320.13190	0.4
352.09503	0.3
352.13828	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	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05491	0.4
57.03413	0.6
61.02896	2.0
67.05144	0.5
67.05492	11.8
69.03429	2.6
69.07056	5.0
71.01328	1.3
71.04975	22.5
73.02896	0.4
77.14907	0.3
78.29503	0.3
79.05432	0.4
81.03390	1.4
81.07037	0.6
85.02893	9.2
85.06525	9.1
91.03895	0.4
91.25729	0.3
95.04943	31.6
95.08556	0.4
97.02872	2.8
97.06483	0.5
109.02832	0.4
109.10157	0.6
113.05987	27.2
117.36901	0.3
123.04389	0.6
127.03900	0.7
127.07519	4.2
140.24324	0.3
141.05441	100.0
142.05835	0.3
144.74863	0.3
145.04942	1.3
155.06996	14.9
155.10718	0.3
159.06505	7.8
169.29172	0.3
173.08049	20.7
180.08643	1.1
217.61847	0.3
221.68825	0.3
343.53104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2011
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.00294	2.6
53.03941	1.5
55.01861	2.3
55.05498	11.8
56.96562	1.6
57.03433	2.7
59.04987	3.4
59.50188	1.3
64.33234	1.4
66.33272	1.3
67.05504	7.1
69.03418	3.7
69.07061	13.1
70.02581	1.3
70.06567	2.4
71.04978	46.8
73.06541	12.4
74.26190	1.4
75.85130	1.8
77.10037	1.4
79.05473	18.7
81.07040	74.5
83.04963	2.2
83.08587	3.2
85.02878	16.7
85.06536	9.0
86.09679	2.3
91.05463	8.6
93.07030	46.1
95.04988	3.4
95.08601	10.1
97.02854	2.8
97.06506	7.9
99.04485	1.8
105.03363	2.5
105.07032	5.6
107.08578	41.5
108.08935	3.2
109.06515	8.8
109.10162	12.5
111.04427	1.8
111.08086	2.5
116.98666	2.1
117.06995	2.4
119.08562	3.7
121.10080	1.8
123.11683	2.9
127.03922	1.9
133.06519	1.8
133.96951	1.5
135.08051	1.9
135.11676	61.7
136.07365	1.5
136.12041	14.6
137.05959	2.7
141.12729	2.5
145.04932	2.1
153.09250	4.2
153.12730	100.0
154.09387	2.1
154.15878	1.8
162.72487	1.7
171.13800	10.3
179.07043	2.2
200.09517	3.7
201.10225	6.2
213.10213	6.0
214.11057	2.1
215.11768	11.9
219.11247	3.5
241.13272	2.7
242.10483	6.1
259.11102	1.9
260.11377	2.5
269.12759	2.3
293.60455	1.5
297.12265	3.7
315.13217	11.1
333.14233	10.6
351.15506	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21636	0.2
53.03933	0.4
54.81916	0.4
55.01872	0.3
55.05488	0.3
56.96564	0.2
57.03416	1.4
61.02911	2.4
67.05483	0.5
69.03414	5.0
69.07025	0.3
71.04953	0.5
72.74844	0.3
73.02885	0.5
79.05467	0.6
81.03411	2.3
81.07035	1.7
83.04967	0.5
85.02423	0.4
85.02890	9.2
85.06533	1.4
87.04451	1.2
91.05448	0.4
92.09322	0.3
93.07006	0.6
95.04957	0.6
95.08593	0.5
97.02867	3.7
97.06496	0.3
99.04437	0.7
99.08048	0.3
105.07021	0.4
109.02852	1.3
109.06499	1.9
109.10142	0.5
111.04446	0.4
120.08070	0.6
123.04383	0.4
127.03882	1.4
127.07510	2.5
137.05917	0.4
137.09592	1.3
144.04398	1.4
144.08055	0.5
145.05019	0.4
155.07056	2.9
155.10625	0.5
162.05470	1.9
167.41289	0.3
172.07539	100.0
173.08014	2.2
190.08598	23.1
199.99734	0.3
230.18558	0.3
328.72540	0.3
352.13794	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	351.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.1
53.03918	1.3
55.05489	6.3
57.03433	1.4
59.04971	4.5
61.02917	1.4
66.09064	0.9
67.05483	7.0
69.03403	3.9
69.07051	17.8
71.04973	34.4
71.53650	1.2
73.06536	10.6
78.51833	1.3
79.05473	15.3
81.03379	1.1
81.07034	55.0
83.08587	5.4
85.02885	11.8
85.06506	2.3
91.05442	9.5
93.07021	38.4
95.04922	2.5
95.08574	10.2
97.02859	4.1
97.06493	7.1
98.97517	1.2
99.96093	1.0
104.37054	1.1
105.07001	1.9
107.07874	1.4
107.08572	30.0
109.06511	2.1
109.10159	12.9
110.60963	1.1
111.08033	1.4
117.06934	1.2
119.04893	5.0
119.08560	4.9
131.08495	1.2
135.11667	45.4
137.05916	1.1
147.04390	8.1
148.04721	1.3
153.12718	100.0
171.13736	2.4
213.10217	1.6
215.11775	4.3
219.11200	2.1
258.59448	1.0
275.34714	1.0
315.13123	1.7
333.14151	1.4
351.15448	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	351.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.8
53.03928	1.8
55.01844	2.2
55.05508	14.2
56.96550	2.3
57.03433	2.8
57.07055	3.5
59.04985	3.1
61.02920	2.2
67.05489	10.9
69.03409	3.7
69.07053	34.3
69.07408	2.3
71.04973	39.1
73.06525	6.9
79.05476	16.0
79.54466	1.3
81.07035	52.1
83.04962	6.2
83.08582	6.9
85.02886	20.6
85.06528	7.5
87.04453	1.4
91.05474	10.9
93.07018	40.0
95.04949	7.7
95.08563	15.3
97.02858	8.4
97.06506	25.3
98.97534	3.1
99.04440	2.7
105.07007	2.7
107.08572	45.6
107.67352	1.5
108.08894	2.2
109.06503	2.8
109.10141	29.2
111.04424	3.0
111.08056	2.5
116.98680	1.5
117.06965	1.6
119.08539	2.5
121.06492	2.4
123.11646	1.7
125.05926	1.5
127.03861	2.7
134.99597	1.9
135.08041	6.2
135.11655	52.4
146.54005	1.6
153.09109	8.4
153.12718	100.0
154.09442	2.0
167.63463	1.5
171.10098	2.9
171.13773	8.4
172.08600	1.9
172.10463	1.6
189.05272	2.5
189.14969	2.2
215.84618	1.9
219.11073	1.9
243.14937	1.5
245.04048	1.7
302.43530	1.5
333.10739	3.4
351.10648	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	351.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01868	6.0
55.05508	4.7
56.96557	7.8
57.03432	0.9
57.07067	1.4
59.04992	1.6
65.03921	1.0
67.05502	9.5
69.03417	3.2
69.07056	3.5
71.04973	3.1
79.05482	9.2
81.03412	1.4
81.07044	12.5
83.04964	5.5
83.08595	0.6
85.06563	0.7
86.97177	0.6
87.04441	0.7
88.68412	0.6
89.04543	0.6
91.05476	8.6
93.07030	13.2
95.04956	7.7
95.08583	6.2
97.06532	1.2
98.97567	17.8
103.05453	51.1
105.04490	1.0
105.07008	7.8
107.08590	9.2
109.06509	3.1
109.10160	7.8
110.68442	0.6
116.98608	12.5
117.07021	1.1
119.01908	1.5
119.08561	3.4
121.06482	1.0
121.10101	1.4
123.08063	0.8
123.11739	1.0
125.05949	1.0
130.83041	0.7
131.04906	100.0
131.08542	1.5
131.67561	0.7
133.10083	3.1
134.99644	7.1
135.08031	1.1
135.11681	1.3
137.09621	3.1
149.09595	2.7
151.11162	2.8
153.00655	0.8
157.10114	1.0
161.09647	0.7
169.12389	0.7
185.04755	0.8
237.07857	0.8
251.09599	0.8
269.10587	3.7
285.14899	0.9
291.12732	0.9
309.13809	1.2
333.13507	1.3
333.17108	4.0
350.28714	0.9
351.14716	2.6
369.15652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
55.05502	0.2
62.41879	0.2
67.05485	0.3
69.07047	0.3
77.81717	0.2
79.05468	0.3
79.93780	0.2
81.07022	0.9
82.15290	0.2
91.05456	2.9
93.07016	0.4
95.08569	0.4
103.05453	0.9
105.07007	1.0
107.08575	0.3
115.05438	15.1
117.07027	0.3
124.52902	0.2
128.06201	15.3
129.06981	100.0
130.07335	0.2
131.04913	0.4
131.08580	0.3
131.98979	0.2
133.10106	0.5
143.08447	0.2
145.06465	2.6
145.10135	0.2
154.75066	0.2
155.06017	1.7
157.06465	9.6
167.07059	0.2
175.07535	2.0
226.63705	0.2
277.12180	0.4
290.91113	0.2
291.13571	0.3
325.89560	0.2
328.57315	0.3
351.26547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
59.22170	0.5
65.45272	0.5
76.56980	0.7
83.06696	0.7
83.72701	0.5
84.87564	0.5
87.74477	0.5
91.05450	0.6
92.09226	0.6
103.05415	1.1
104.88914	0.5
115.05434	7.8
128.06195	49.8
129.06981	77.9
137.69226	0.6
145.06442	7.0
150.69493	0.8
155.06021	6.9
157.06462	100.0
171.18341	0.7
320.98898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	4.5
55.05506	4.6
56.96556	9.1
57.07063	1.1
59.04977	2.3
65.03916	0.8
67.05486	9.8
69.03400	3.0
69.07045	3.2
71.04961	2.8
79.05486	8.1
81.03375	2.3
81.07033	13.8
83.04958	6.0
84.96001	0.5
85.06528	1.2
91.05465	8.1
93.07024	11.0
95.04950	7.4
95.08595	6.7
97.06496	2.5
98.97561	4.3
99.04465	0.6
99.08080	0.9
103.05447	51.9
105.04497	0.6
105.07013	7.7
107.04883	0.7
107.08570	7.7
109.06496	3.0
109.10143	8.5
113.61729	0.6
115.69961	0.5
116.98604	3.9
117.07005	2.3
119.01883	3.0
119.08535	4.6
121.06461	0.8
121.10110	3.0
123.08054	0.5
123.11681	2.8
129.06935	1.2
131.04901	100.0
131.08534	3.5
132.05309	0.7
132.10176	2.9
133.10092	3.9
134.99628	2.6
135.08006	1.0
135.11668	1.3
137.02902	2.4
137.09604	4.6
142.20424	0.5
143.08578	1.0
145.10088	2.5
147.08022	2.3
147.11679	1.1
149.05945	1.1
149.09601	2.1
151.07555	0.7
151.11162	1.0
157.10071	0.6
159.03217	1.0
159.11688	1.0
161.01167	1.0
161.09534	0.6
163.11177	0.7
173.13223	0.6
195.05026	1.1
223.06279	0.7
248.37715	0.6
258.24243	1.0
259.24490	0.7
269.10507	0.9
285.14841	1.1
291.12659	2.7
309.13455	4.6
327.14597	1.1
333.16812	3.3
337.63751	0.6
349.66794	0.5
350.28931	1.0
351.14371	4.9
351.21466	1.0
351.29248	1.1
369.15646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19284	0.4
67.05475	1.0
69.07030	2.2
71.04961	0.7
79.05466	1.0
81.07028	1.0
84.88025	0.4
85.02875	0.8
91.05448	0.7
93.07016	2.9
95.08598	0.9
97.06487	2.3
105.07008	0.5
105.18590	0.5
107.08576	3.5
109.10115	2.1
111.08065	0.4
135.11650	3.3
153.12732	5.1
165.43178	0.5
171.10013	0.5
171.13741	0.9
175.08604	2.9
187.08736	0.4
189.10138	0.9
193.09660	0.5
199.08640	6.0
200.09415	14.8
201.10211	19.2
202.11015	0.7
212.09496	1.0
213.10179	15.6
214.10966	12.7
215.11768	39.6
216.12456	0.8
217.09645	3.5
219.11244	20.2
225.10255	0.7
226.11000	4.2
227.08144	0.9
227.11789	2.8
228.08946	1.0
228.12514	5.9
230.14070	0.6
231.11250	4.9
232.12108	0.9
233.12790	0.5
241.09671	5.4
241.13287	9.7
242.10446	24.4
242.14113	1.1
243.11302	3.2
245.09232	2.4
254.10417	2.6
255.11137	0.9
256.12030	6.3
259.10724	6.9
260.11490	8.1
261.12189	1.1
269.12756	8.9
270.13538	0.9
271.14447	0.4
272.11447	1.9
274.13193	0.6
277.11761	6.2
280.12054	0.5
282.09924	2.6
287.13806	5.1
288.14362	0.5
289.15326	0.6
289.92874	0.5
297.12262	11.5
300.10934	4.9
315.09625	1.0
315.13312	30.8
333.14398	34.4
351.15427	100.0
358.68674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38614	0.1
50.43570	0.1
52.98182	0.1
54.81816	0.1
54.85007	0.1
55.05503	0.1
57.07045	0.1
60.37106	0.1
62.40325	0.1
67.05502	0.2
68.02737	0.1
68.58333	0.1
73.75452	0.1
75.45325	0.1
79.05491	0.1
79.66167	0.1
81.07047	0.6
91.05463	2.4
93.07014	0.6
95.08579	0.2
97.96626	0.2
99.81587	0.2
103.05457	0.8
104.14725	0.1
105.07027	0.7
107.08556	0.3
109.10134	0.2
115.05432	14.5
119.08569	0.2
128.06195	17.1
129.06976	100.0
130.07257	0.3
131.04871	0.6
131.08578	0.2
133.10101	0.3
135.11688	0.2
145.06487	2.0
147.11714	0.2
155.06000	1.8
157.06456	9.4
175.07512	1.9
267.29849	0.2
277.12143	0.3
291.13599	0.3
369.62515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81958	5.4
54.87921	5.0
58.17056	4.4
62.65177	4.4
63.97062	4.3
70.13985	4.2
79.05451	5.2
81.60902	4.8
85.02863	4.9
113.04933	4.8
113.47705	4.7
143.03127	4.7
195.04474	4.9
351.06873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.05494	33.3
55.93516	5.6
59.36983	4.9
59.38640	4.9
67.05486	25.2
69.07064	45.3
70.95845	23.6
72.93765	25.2
74.15506	5.4
79.05475	42.1
81.07039	71.3
83.04963	5.6
90.57668	6.6
90.94839	11.4
91.05453	47.7
93.06998	72.8
95.04951	12.9
95.08588	62.6
97.06521	11.9
103.05463	10.3
105.07016	100.0
105.36406	6.1
107.08578	64.3
109.06471	10.6
109.10133	43.6
117.07009	12.9
119.08529	60.8
121.10085	61.0
123.08009	10.2
130.12169	6.9
131.04889	28.0
131.08562	45.2
132.95815	12.2
133.10077	44.0
135.11638	27.8
143.08569	14.0
145.10092	60.0
147.11678	10.4
149.09494	6.8
150.96860	26.5
159.11667	55.1
161.13268	14.2
163.11142	8.6
166.97902	7.4
168.99429	8.2
180.99405	9.2
184.98877	8.4
187.00575	7.8
192.99515	7.4
195.01021	15.0
199.00548	34.2
201.16521	7.4
203.00018	7.2
211.00632	9.2
217.01570	36.6
219.17491	38.1
225.02000	12.5
233.52240	6.5
236.96207	6.3
241.06837	8.0
243.03133	29.6
243.08257	30.2
267.03076	13.7
291.10333	11.8
309.11447	76.1
331.09830	8.3
333.11243	9.5
351.12405	36.6
351.26556	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	351.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08645	0.3
53.03935	6.5
55.01863	0.7
55.05503	6.3
56.96545	0.4
57.03421	1.0
58.34033	0.3
61.02901	2.6
65.03920	4.6
69.03417	3.9
70.06562	1.8
71.04968	1.8
73.02896	1.5
76.23177	0.4
80.05005	1.0
81.03402	5.4
83.01319	0.5
83.04969	3.5
83.82506	0.4
85.02890	12.6
86.09668	2.2
87.04443	0.5
97.02869	4.0
98.06033	12.2
98.97512	0.8
99.04427	1.0
99.77108	0.4
104.70983	0.5
108.04466	5.5
109.02867	21.9
111.04417	11.4
126.05483	10.3
127.03922	3.0
127.04686	0.4
136.03912	2.7
137.02316	70.4
139.27654	0.5
145.04933	0.8
153.01768	0.4
153.05450	0.8
154.04965	100.0
162.05409	0.6
164.88019	0.4
168.49200	0.4
170.08112	0.6
171.02907	0.9
172.06006	37.4
188.09166	0.8
190.04936	0.9
215.31416	0.4
234.99004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85036	0.6
53.03944	2.6
54.06088	0.6
55.01858	1.6
55.05499	2.8
56.29117	0.6
56.33833	0.6
57.03427	4.0
57.07059	1.3
59.04995	0.6
61.02904	6.3
62.25066	0.6
65.10015	0.6
67.05489	3.2
69.03415	10.5
69.07060	9.2
71.04970	1.5
73.02898	1.4
74.51775	0.6
75.03798	0.6
77.22964	0.6
79.05474	35.8
81.03412	4.9
81.07020	5.7
83.08611	2.7
85.02885	54.4
87.04457	0.9
91.03924	2.6
91.05463	5.2
93.07019	63.6
95.04957	1.5
95.08611	2.8
97.02866	13.9
97.06514	3.9
99.04431	1.4
105.07034	1.1
107.08575	43.2
107.09299	1.5
109.02859	3.1
109.10136	1.6
125.13258	0.9
127.03871	7.7
133.10202	0.7
135.11664	100.0
145.04929	8.9
153.12720	8.9
163.05984	1.5
171.10411	0.7
279.15909	0.8
285.41025	0.7
297.16864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
54.81142	1.0
55.01858	1.4
55.05269	1.0
55.05510	15.2
57.03424	5.2
57.07075	1.1
59.04984	1.4
61.02911	1.8
67.05496	10.6
69.03402	5.7
69.07056	7.4
70.38979	1.0
71.04983	17.5
73.02903	1.4
73.42879	0.9
76.55544	1.0
79.05479	8.9
81.03410	1.8
81.07037	28.3
83.04981	2.3
83.08611	20.8
85.02052	0.9
85.02891	24.8
86.09681	1.6
91.05444	5.9
93.07027	64.0
95.08589	39.2
97.02863	7.2
97.06505	20.7
99.04405	1.4
101.09637	4.9
105.07012	5.8
107.08579	81.6
109.02820	1.5
109.06495	1.3
109.10147	46.6
111.08076	4.4
119.08572	3.6
123.11688	18.9
127.03879	1.8
127.11192	1.1
135.11673	100.0
141.12643	1.5
145.04907	1.9
153.12727	31.4
171.13773	39.5
259.94202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.3
53.03941	4.3
55.01863	2.8
55.05501	17.7
55.68014	0.9
57.03430	2.5
57.07059	4.5
59.04988	4.9
61.02920	9.6
63.23092	0.9
67.05489	9.5
69.03415	15.9
69.07057	44.2
71.04986	6.7
71.69668	1.0
73.02898	2.3
79.05466	13.9
81.03399	10.2
81.07044	18.7
83.04971	6.0
83.08618	1.2
85.02892	68.8
85.06521	4.9
87.04466	1.1
91.03907	1.9
91.05461	20.6
92.09327	4.0
93.07024	100.0
95.04938	9.1
95.08592	19.5
95.38941	1.0
97.02879	18.9
97.06510	11.3
99.04419	2.0
105.07000	8.1
107.08578	78.2
109.02865	6.6
109.06509	2.4
109.10136	16.4
111.08069	1.2
114.36773	1.3
116.92690	1.2
119.08564	6.6
123.11720	1.5
127.03901	7.3
133.10124	1.2
135.11673	74.7
137.13243	2.1
145.03914	1.4
145.04890	7.9
153.12724	27.2
192.85449	1.2
197.38672	1.0
270.43564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73429	0.9
51.66111	1.0
52.64655	1.1
53.03939	2.1
55.01860	2.5
55.05505	13.5
56.96552	1.5
57.03425	2.6
57.07044	1.0
59.04980	6.3
60.29379	1.1
61.02898	7.9
67.05493	14.8
69.03413	15.6
69.07053	29.0
71.04975	5.6
73.02902	1.7
76.26482	1.1
79.05479	14.5
81.03415	8.8
81.07038	20.0
83.04946	10.6
83.08610	1.5
85.02892	57.8
85.06507	5.8
87.04466	2.3
91.03937	1.3
91.05467	24.0
92.09247	2.0
93.07021	100.0
94.07829	1.3
95.04922	9.2
95.08588	24.6
97.02871	16.6
97.06498	15.2
98.97536	1.8
99.04410	1.6
105.07002	13.6
107.08577	87.9
109.02859	7.3
109.06506	2.2
109.10139	23.1
112.11592	1.2
113.90483	1.2
116.98565	1.3
119.08555	8.2
120.09356	1.4
122.57060	1.2
123.11646	2.3
127.03870	7.9
133.10077	2.1
135.08031	1.5
135.11667	71.7
135.12685	2.7
145.04922	7.8
153.12729	25.1
160.45776	1.3
199.26390	1.2
259.42502	1.5
301.91217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01852	1.4
55.05502	2.9
57.03423	3.0
57.07068	1.1
61.02919	5.9
61.14596	0.7
67.05492	1.7
69.03426	9.5
69.07053	6.3
71.04981	1.4
73.02901	1.2
77.03850	0.6
79.05472	37.0
81.03408	4.0
81.07044	6.2
81.14068	0.6
83.04958	1.1
83.08595	0.8
83.23431	0.6
85.02891	51.5
91.03933	1.2
91.05441	5.5
93.07024	64.7
95.04939	3.5
95.08590	2.8
97.02872	10.5
97.06501	3.6
99.04436	1.5
105.07023	3.8
107.08578	46.3
109.02878	4.3
109.06454	0.6
109.10188	1.6
110.71917	0.7
111.77493	0.6
119.08564	1.5
127.03865	6.4
133.10136	1.1
135.11670	100.0
137.13242	1.4
138.53600	0.7
145.04918	8.1
152.11427	0.8
153.12709	4.7
163.06055	1.6
269.74182	0.8
367.51187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20417	0.9
53.00312	1.1
55.05506	13.9
57.03426	2.1
57.07048	2.4
62.74792	1.1
64.22636	1.1
65.03929	2.4
67.05145	2.2
67.05495	58.9
68.93171	1.3
69.03417	8.9
69.06718	1.5
69.07059	22.6
71.04977	21.4
71.08614	5.4
79.05476	15.8
81.07042	56.2
83.04968	8.5
85.02897	11.2
85.06515	7.3
85.10138	2.3
90.70861	1.2
91.05466	100.0
93.07018	19.9
95.04938	6.2
95.08590	8.0
97.06493	2.4
99.04433	1.5
99.08085	6.2
105.06364	2.5
105.07013	54.1
106.06536	2.5
107.08582	41.9
109.06515	8.3
109.10147	89.1
113.06004	4.9
119.04931	24.4
119.08536	1.3
121.10110	1.8
123.07982	1.6
123.11678	7.1
127.07523	1.6
131.08572	5.5
133.10112	82.0
141.07118	1.3
141.12732	23.5
143.08629	1.5
145.10161	1.9
147.04372	10.1
151.11179	33.7
160.84721	1.3
169.12199	47.0
173.09610	1.7
190.83258	1.4
211.51526	1.2
299.52356	1.5
333.16949	2.9
343.57230	1.6
350.19467	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.2
53.03926	1.8
55.01860	1.5
55.05507	15.2
56.70189	1.0
57.03435	1.6
57.07054	2.4
59.04993	12.5
61.02919	1.4
62.51067	1.1
65.03948	1.2
67.05186	1.7
67.05492	25.5
69.03416	7.9
69.07053	81.7
71.04979	7.4
79.05482	13.0
81.03411	2.6
81.07040	28.3
83.04972	10.1
83.08591	5.3
85.02891	30.3
85.06526	17.6
85.89700	1.2
91.05463	23.4
93.07020	100.0
95.04926	6.2
95.08583	62.2
97.02870	5.2
97.06506	19.8
98.97579	1.4
99.04414	1.7
105.04532	1.3
105.07022	11.8
107.08576	90.3
107.52427	1.1
109.02886	1.5
109.06485	5.0
109.10139	43.2
110.10493	1.3
111.08099	1.5
116.98621	1.4
119.06104	1.1
119.08565	6.0
121.10101	1.1
123.11690	7.3
127.03876	7.7
133.10120	1.5
135.11667	63.9
145.04893	2.4
153.12708	19.3
167.58929	1.1
212.42546	1.4
219.36493	1.2
359.66406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88707	0.9
54.73665	0.8
55.01878	0.9
55.05498	7.7
56.96562	1.4
57.03421	1.8
58.19070	0.9
67.05491	27.1
68.99777	23.1
69.07052	13.4
70.54562	0.9
71.04984	6.0
71.08601	1.2
77.84517	0.9
78.54488	0.8
79.05465	9.4
79.41723	0.9
80.34321	0.8
81.07035	32.0
83.04971	5.3
83.08598	1.2
85.02892	6.8
85.06544	2.1
85.10167	2.0
85.21488	1.0
87.07075	1.0
91.05466	16.8
93.07017	13.3
95.04948	5.9
95.08578	5.9
97.06528	1.2
99.04498	1.2
99.40463	0.9
103.05450	4.6
105.03372	100.0
105.06973	27.5
107.08575	25.5
109.06483	5.7
109.10141	45.6
111.08058	1.0
113.05992	1.7
113.09612	2.3
117.07011	1.3
119.08526	1.4
121.10113	1.9
123.11678	5.8
127.07465	1.2
131.04868	10.4
131.08548	2.0
133.04254	1.0
133.10098	39.0
135.11641	1.0
137.05975	1.5
139.55119	1.1
141.12704	7.3
143.08742	1.1
146.02014	1.0
147.04393	48.9
151.11163	16.1
165.05443	20.7
169.12210	23.7
171.11867	1.1
197.01199	1.5
296.55154	1.0
309.13934	1.0
333.16833	17.8
349.34009	1.2
372.12430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03937	3.0
53.15120	0.2
55.01863	0.5
55.05506	3.5
56.96542	0.8
65.03942	0.4
67.05490	4.5
69.07037	0.7
71.04984	0.5
71.08610	1.7
74.07034	0.2
77.03915	0.5
79.05480	4.7
81.03394	0.4
81.07018	2.2
83.04970	7.6
83.08588	0.7
91.05468	2.5
92.64478	0.3
93.03371	0.6
93.07009	2.2
95.04947	11.3
95.08588	1.2
95.31434	0.3
98.97540	0.6
99.08070	1.3
101.71674	0.3
103.05452	15.0
105.03373	100.0
105.04524	2.5
105.06964	2.2
107.08564	0.5
109.06498	0.6
109.10142	1.6
111.04423	8.8
111.08051	0.4
116.98608	0.5
117.06947	0.3
119.08546	1.2
121.10090	0.4
123.04412	4.7
126.67545	0.3
129.06999	0.4
131.04904	36.6
131.08545	0.5
133.10164	1.7
139.07587	0.3
147.07985	0.5
147.11649	1.6
149.05975	1.4
193.12212	0.5
195.65445	0.3
315.15842	4.2
327.14859	1.4
333.16907	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	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52490	0.5
54.81845	0.6
55.01872	1.3
57.03420	1.4
58.54166	0.6
61.02910	3.0
65.03928	6.0
68.99776	1.3
69.03426	6.0
71.04990	0.9
81.03396	3.9
81.07047	0.7
83.04966	4.9
85.02894	19.8
92.09270	0.8
93.03400	2.9
97.02862	6.0
107.04958	0.9
109.02895	1.4
111.04433	44.3
121.03973	3.3
121.06429	0.9
127.03947	3.1
137.06055	0.8
139.03891	100.0
145.04932	1.7
153.05453	1.0
153.06528	0.9
156.04198	2.5
169.09651	0.9
171.06497	66.0
180.08746	0.9
188.03777	1.4
239.29916	0.8
369.57870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30487	0.1
51.02360	0.3
53.03942	2.7
54.82426	0.2
55.01871	0.4
55.05308	0.2
55.05509	2.8
57.03425	0.4
57.07081	0.2
65.14989	0.2
67.05492	3.6
69.03417	1.6
69.07059	1.3
71.04986	0.2
73.85280	0.2
77.03899	0.5
79.05046	0.3
79.05475	4.6
81.03409	1.9
81.07041	3.0
83.04965	2.9
83.08593	1.3
91.05462	3.0
93.07026	1.9
95.01283	0.2
95.04951	8.8
95.08587	1.1
97.02882	2.4
97.06483	0.2
99.04428	0.9
105.03379	100.0
105.06996	4.4
107.08584	1.1
109.06506	1.0
111.04430	5.3
111.08031	0.2
114.60867	0.2
117.06971	0.2
119.08563	2.7
121.10141	0.3
123.04417	6.6
123.05280	0.3
123.11638	0.3
127.03932	0.2
131.04883	0.2
131.08543	0.5
133.06467	0.4
133.10104	3.2
137.05991	0.2
147.11668	3.4
151.11150	1.2
155.07031	0.4
165.12712	2.4
167.04333	0.2
169.12181	0.3
175.11194	1.0
193.12201	2.4
211.13252	2.2
262.24542	0.2
333.16962	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.81860	1.3
55.05506	10.7
55.05727	1.2
57.03422	1.2
57.07072	1.6
62.79266	1.1
67.05496	8.0
69.07051	16.2
71.04955	1.5
75.64576	1.2
79.05476	8.4
81.07033	11.8
83.04948	1.1
83.08608	4.8
91.05444	3.1
93.07024	9.4
95.04966	2.0
95.08582	12.4
97.06498	1.2
97.10152	1.4
103.05457	2.5
105.07007	3.2
107.08601	7.4
109.06504	16.1
109.10159	2.7
111.08064	2.4
115.44692	1.3
119.08570	6.8
121.10122	3.2
123.08046	100.0
131.04909	5.9
131.08463	1.4
135.08047	5.1
135.11676	3.2
137.09598	2.3
145.10120	1.4
147.11772	1.7
149.09570	1.4
149.13405	1.7
156.09375	1.3
161.13261	1.6
179.14317	2.4
217.58279	1.4
246.44142	1.4
282.45355	1.3
293.21048	18.9
328.11722	1.6
330.68097	1.5
349.27335	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.81860	1.3
55.05506	10.7
55.05727	1.2
57.03422	1.2
57.07072	1.6
62.79266	1.1
67.05496	8.0
69.07051	16.2
71.04955	1.5
75.64576	1.2
79.05476	8.4
81.07033	11.8
83.04948	1.1
83.08608	4.8
91.05444	3.1
93.07024	9.4
95.04966	2.0
95.08582	12.4
97.06498	1.2
97.10152	1.4
103.05457	2.5
105.07007	3.2
107.08601	7.4
109.06504	16.1
109.10159	2.7
111.08064	2.4
115.44692	1.3
119.08570	6.8
121.10122	3.2
123.08046	100.0
131.04909	5.9
131.08463	1.4
135.08047	5.1
135.11676	3.2
137.09598	2.3
145.10120	1.4
147.11772	1.7
149.09570	1.4
149.13405	1.7
156.09375	1.3
161.13261	1.6
179.14317	2.4
217.58279	1.4
246.44142	1.4
282.45355	1.3
293.21048	18.9
328.11722	1.6
330.68097	1.5
349.27335	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01860	0.5
57.03439	0.3
61.02894	0.6
63.00216	0.2
63.64750	0.2
69.03417	2.3
69.07045	0.5
73.02882	0.5
77.96687	0.3
79.05466	3.8
79.77923	0.2
81.03413	0.5
82.92401	0.2
85.02879	6.5
95.04900	0.4
97.02857	1.8
104.29684	0.2
107.04202	0.6
107.04932	18.7
109.02882	0.4
123.04332	0.4
125.05975	2.6
127.03857	0.5
135.04387	14.5
139.03839	0.5
144.76205	0.3
145.04892	0.3
153.05435	100.0
154.05913	0.4
171.06483	18.2
188.03741	1.3
307.55209	0.3
344.73907	0.3
348.49930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.6
56.96554	9.2
57.03430	2.6
61.02909	2.2
64.85432	1.5
65.03922	4.1
66.98688	1.5
67.05496	18.2
69.03426	7.6
71.04962	3.4
73.02908	2.5
81.03403	2.1
83.04980	22.8
84.08193	2.2
85.02895	15.3
93.03386	8.4
95.04904	2.9
97.02864	3.7
98.97540	2.9
98.98448	10.7
111.04429	21.2
111.06250	1.8
111.74100	1.5
121.02826	9.4
123.04386	2.1
124.04773	1.7
127.03925	2.2
139.03900	31.4
140.99474	8.1
142.07692	2.2
145.10153	1.9
151.03893	2.8
152.04218	1.9
157.05020	7.9
157.06216	1.9
170.99673	1.7
177.00710	2.2
199.01791	3.3
204.10991	1.7
213.03340	3.7
217.06920	6.8
241.02847	10.5
296.12186	2.9
349.04941	2.8
349.11047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60204	1.8
55.01861	2.3
55.05505	5.1
57.03432	17.1
59.04978	16.6
61.02914	5.0
67.05489	28.3
69.03402	11.0
69.07050	6.1
70.59325	2.1
71.04977	27.5
71.09892	2.1
73.02855	2.9
73.13787	2.1
75.04455	5.0
79.05474	21.4
81.03385	2.6
81.07038	100.0
83.04947	4.9
84.05478	2.2
85.02889	29.9
87.04446	2.9
91.05466	27.4
92.62853	2.7
93.07027	56.8
94.07349	3.6
95.04944	15.3
95.08583	37.2
96.08936	10.8
97.02887	8.9
105.07009	40.6
107.08578	95.6
108.08932	3.2
109.06494	23.8
109.10151	54.4
110.10471	9.7
111.08065	5.7
113.05927	2.5
121.10140	2.5
123.08047	4.0
123.11684	56.8
124.11988	3.0
125.09588	11.5
127.03873	4.0
133.10109	51.5
137.05913	2.5
151.11171	77.7
152.11499	11.1
169.12215	65.4
169.13501	4.6
171.10103	2.8
209.77866	2.4
247.91682	2.5
368.53058	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	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80228	1.3
55.01842	1.4
60.95460	1.4
67.05480	3.3
69.03396	3.1
71.04958	2.0
79.05497	2.9
81.03382	3.4
81.07024	6.8
82.69587	1.6
85.02900	8.7
91.05473	6.1
93.07014	2.3
95.04932	2.0
95.08546	2.7
97.02898	2.1
97.06496	1.8
103.98340	1.6
105.07018	2.6
107.08568	6.4
109.06544	2.3
109.10127	2.3
123.08054	2.2
123.11696	1.7
130.87425	1.4
133.10088	3.0
136.75188	1.5
151.07649	1.6
151.11176	2.8
155.11411	1.8
169.12256	2.1
178.34232	1.6
185.04184	35.0
187.03566	11.1
190.86655	1.5
191.46117	1.6
224.47865	1.6
234.49138	1.7
271.73483	1.4
349.08884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51027	6.5
67.05474	6.8
71.08623	5.2
71.85739	7.0
72.02027	6.4
72.93768	6.1
78.06950	6.1
80.38031	6.2
81.07047	8.3
82.06617	6.0
90.94816	8.5
91.05441	6.6
103.05433	45.1
105.07100	7.8
107.08588	6.1
107.37960	5.7
109.10099	12.2
109.76434	6.1
127.78128	6.2
129.12849	5.4
131.04903	100.0
132.95813	24.1
150.96881	49.3
245.12389	7.4
273.02219	6.6
288.04413	22.9
306.05573	11.9
317.17325	10.5
328.15613	6.8
336.79398	6.6
343.73578	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	348.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29096	0.2
53.03923	0.9
55.05494	1.3
57.07063	5.9
63.91843	0.2
65.03915	0.4
67.05486	5.1
68.60569	0.2
69.07053	9.3
71.08599	0.2
79.05472	8.3
81.07036	100.0
82.07367	0.4
91.05466	0.3
92.09325	0.3
92.56271	0.2
93.07027	1.2
95.08583	29.5
103.05444	0.4
107.04954	1.1
107.08607	0.2
109.10148	2.5
109.77972	0.2
113.91846	0.2
135.08017	0.5
137.13225	17.3
137.22314	0.2
139.03896	0.3
150.55443	0.2
154.06219	4.6
163.07489	2.2
176.37515	0.2
180.07828	1.1
186.59583	0.2
189.08310	0.2
195.10126	3.4
279.70523	0.2
353.61066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.3
53.03970	1.4
54.27007	1.3
55.01869	6.9
55.05507	38.5
56.96562	2.1
57.03434	7.8
57.07066	3.9
59.04993	2.2
67.05493	100.0
69.03403	2.3
69.07057	22.1
71.04985	10.3
71.08617	14.1
79.05475	31.8
81.03403	2.0
81.07041	73.6
83.04980	10.1
83.08607	32.3
85.06538	6.9
90.18546	1.5
91.05458	28.6
93.07021	50.1
95.04956	9.2
95.08585	28.9
95.66230	2.1
97.06525	8.8
97.10158	21.4
99.08084	10.4
105.07008	15.6
105.30999	1.6
107.08576	30.4
109.06500	3.7
109.10144	69.5
111.08083	9.0
113.18422	1.8
117.07015	8.9
119.08583	15.4
121.10102	12.2
123.11668	3.7
125.09589	13.1
131.04955	2.4
131.08540	8.7
133.10097	12.0
135.08073	2.8
135.11691	13.1
137.09593	4.1
145.10114	3.0
147.11606	6.2
149.09622	2.7
149.13234	16.3
151.11186	9.7
155.10663	10.4
157.10184	2.2
159.11678	8.4
161.13208	3.5
163.11171	3.7
165.12711	2.8
173.11707	62.8
173.13210	2.3
176.21721	1.7
177.12680	2.7
189.11198	9.6
194.79282	2.0
195.13773	21.9
210.08949	1.6
210.15152	1.9
213.14844	20.4
243.01511	1.9
259.20569	2.0
277.21585	24.8
295.22638	14.8
300.30185	1.6
345.82364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81833	0.5
61.02924	0.7
69.03416	0.8
70.76746	0.4
85.02901	5.8
86.09681	0.5
91.05464	88.2
93.07039	1.7
95.04910	0.5
97.02856	1.1
104.05017	0.5
105.07003	2.3
107.04949	1.0
119.04922	100.0
121.06494	5.3
123.04421	2.6
127.03916	0.8
145.04991	0.5
149.96182	0.5
151.07524	79.5
169.08551	0.8
298.12659	0.5
313.12527	0.8
348.16965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84061	0.2
52.92088	0.2
53.03931	0.2
54.81860	0.2
55.05504	0.3
55.65215	0.2
56.96549	0.2
57.28049	0.2
67.05501	1.7
69.07050	0.2
71.04964	0.3
74.77840	0.2
78.54893	0.2
79.05470	1.7
81.07039	1.1
83.04949	0.2
91.05455	2.5
93.07023	2.9
95.04939	1.6
95.08592	3.2
103.05451	33.3
105.06998	1.0
107.08584	1.0
107.66594	0.2
109.06459	0.3
109.10140	1.2
111.04412	0.9
117.07004	0.4
119.08550	4.3
121.10157	0.3
123.08057	0.4
131.04909	100.0
132.05208	0.3
136.55511	0.3
137.09627	1.1
147.08038	1.6
149.05931	0.7
165.09059	2.5
183.10156	0.3
283.11981	0.2
313.10587	0.4
313.14279	13.3
325.13330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
53.83844	0.6
55.01865	1.4
55.05456	0.6
57.03415	4.7
59.04993	6.5
61.02907	4.2
62.12784	0.7
67.05486	3.2
67.05845	0.7
67.27084	0.8
69.03416	8.4
71.04966	1.0
73.02923	0.9
79.05476	10.6
81.03389	3.8
81.07040	9.8
83.04977	0.8
85.02890	46.8
90.44675	0.7
91.03938	1.3
91.05464	28.6
93.07022	30.8
95.04934	4.3
95.08575	3.7
97.02859	10.0
99.04459	1.6
103.44611	0.7
105.07014	59.2
107.04980	0.9
107.08563	9.5
109.02874	8.6
109.06505	29.1
109.10130	4.6
113.83820	0.8
117.06992	1.4
118.07707	1.0
119.08559	5.3
120.08923	1.6
121.06467	0.8
121.09306	0.9
121.10114	4.8
123.11687	9.0
127.03874	8.2
131.08528	5.2
133.10107	100.0
134.05916	1.1
135.08052	1.0
137.90735	0.7
145.04927	10.2
145.10052	1.0
149.09615	4.2
150.09950	0.9
151.07515	3.0
151.10121	1.7
151.11180	18.4
163.06020	3.4
169.08609	1.5
182.32178	0.7
208.05997	1.7
349.14005	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	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.48684	0.6
55.01847	0.9
57.03423	3.6
60.04517	1.3
61.02905	4.4
67.05492	0.8
69.03413	7.7
73.02869	0.9
81.03410	4.3
81.07048	0.8
85.02892	32.5
86.03235	0.7
87.04479	0.7
91.03916	0.9
91.05464	23.5
93.07050	0.9
94.97866	0.6
95.04958	4.7
95.08609	0.8
97.02877	8.9
99.04417	1.3
105.06989	1.1
107.08593	1.2
109.02826	2.8
109.06474	0.8
119.04917	20.9
123.04438	1.7
123.08125	0.9
125.05987	3.1
126.06339	0.8
127.03909	6.3
136.05165	2.7
137.05920	3.0
145.04964	3.9
147.04335	0.7
151.07527	100.0
163.07561	0.9
165.09042	1.2
169.08527	5.1
176.22629	0.7
180.08725	0.7
185.08115	1.0
189.09102	0.9
193.08664	0.9
254.10013	0.8
259.09265	1.0
273.10675	0.7
277.10764	1.0
294.13480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.5
69.03404	0.6
85.02895	4.7
91.05463	76.8
92.09337	0.4
96.21983	0.4
97.02893	0.5
99.04462	0.5
99.86433	0.4
103.05451	0.6
105.07018	3.3
107.04939	1.9
119.04922	100.0
121.06480	5.7
127.03883	0.6
133.06419	0.7
136.07559	0.8
151.07524	72.7
155.24573	0.4
299.17908	0.4
313.12653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90664	0.6
53.03943	0.8
55.01872	0.8
55.05504	11.6
55.82720	0.7
56.96563	1.2
57.07066	9.0
57.34914	0.6
58.24769	0.7
62.64763	0.6
63.73411	0.6
67.05486	10.9
69.07053	40.9
70.63496	0.8
71.04976	1.0
71.08610	3.9
72.82097	0.8
74.11848	0.8
79.05470	11.5
81.07036	100.0
83.05033	0.8
83.08602	7.7
85.02908	0.9
85.06528	3.3
85.10172	1.0
91.05457	3.8
93.07021	20.2
95.04942	4.4
95.08587	50.0
97.06505	7.0
97.10149	4.2
99.08074	1.2
100.91933	0.8
103.05482	0.9
105.07016	4.9
107.08566	14.5
109.10144	13.6
111.08076	7.2
111.11697	36.9
119.08560	2.9
121.10130	12.0
123.11684	7.0
131.08569	1.8
133.10146	1.1
135.11668	4.1
137.13255	15.4
139.11139	2.9
143.08395	0.9
145.10094	0.8
149.13231	13.5
151.14812	1.0
152.57402	0.8
155.14281	12.6
156.47528	0.8
159.11621	0.8
163.14839	1.9
173.15213	0.9
200.98558	0.9
275.27356	3.1
293.28433	4.5
347.18149	1.0
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
52.54789	0.3
53.03926	0.5
53.78947	0.3
54.82049	0.4
55.01864	0.4
57.03414	1.0
61.02917	3.0
67.05484	1.7
69.03416	5.9
71.04963	0.7
73.02886	0.6
77.80991	0.4
78.30892	0.4
81.03389	2.8
85.02890	23.5
87.04455	0.4
92.79054	0.4
94.36929	0.4
95.04958	2.8
97.02866	6.4
99.04421	0.7
109.02875	2.1
109.99509	0.4
111.04373	0.8
123.04405	100.0
127.03876	2.2
136.06248	0.5
139.03981	0.7
145.04939	2.3
145.10097	0.7
151.03880	20.1
169.04932	25.0
173.09592	0.6
180.08699	1.6
186.07581	1.9
198.04994	0.4
235.21832	0.4
275.91208	0.5
348.12759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05491	4.0
57.03414	2.9
61.02905	3.7
64.28451	1.4
65.03918	2.1
65.83864	1.5
67.05470	3.4
67.81280	1.5
69.03406	15.5
70.06591	2.1
71.33810	1.6
72.08125	8.6
73.02892	1.7
79.05486	2.9
81.03396	2.4
83.04961	17.7
84.04480	2.1
84.08115	2.0
84.11379	1.6
85.02896	21.0
86.09693	19.5
87.04433	3.2
91.05450	13.2
93.07005	9.2
95.04951	28.4
96.11362	1.6
97.02856	9.8
103.05410	6.5
105.07011	38.0
107.04955	7.1
108.05286	2.5
109.06451	1.7
111.04394	9.5
113.06002	2.1
115.05441	8.3
117.06985	20.4
119.04865	3.0
119.08547	11.9
121.06478	19.3
123.04402	55.5
127.03898	3.5
128.06197	16.2
129.06982	24.3
130.07773	14.4
131.04883	20.5
131.08557	25.5
132.10178	8.0
132.84711	1.7
133.06474	15.6
133.10091	8.9
135.08031	2.1
136.06168	20.6
139.03882	3.2
141.06953	11.1
142.07761	64.1
142.08832	2.7
143.08539	31.1
144.09315	3.1
145.06451	15.6
145.10104	76.0
147.08015	10.9
147.11688	12.6
149.05954	12.6
150.05505	3.9
151.03883	72.5
152.06129	1.9
153.06987	6.8
154.07782	4.1
155.06036	2.7
155.08536	46.1
156.09300	3.6
157.06458	6.8
157.10095	80.1
158.07211	17.3
159.08044	28.6
159.11665	11.6
160.08772	14.9
161.05920	2.0
161.09558	22.6
163.07495	3.8
165.06848	2.3
167.08533	10.6
168.02885	3.4
168.06528	9.3
169.06398	6.6
169.10040	6.9
170.07202	3.7
171.08015	21.2
172.08812	7.4
173.09586	100.0
175.11116	28.1
183.08008	30.6
185.09572	48.2
186.07632	3.7
187.07466	8.4
187.11194	2.3
189.09055	15.6
191.06979	2.5
191.10611	6.8
191.24693	1.8
195.08044	4.3
198.06682	2.5
199.07474	21.3
201.09077	49.3
203.10643	42.0
211.07529	17.2
213.09105	14.4
215.10495	2.5
217.08583	22.3
217.94835	1.8
219.10106	10.6
221.11690	4.2
221.97179	1.9
229.08592	33.3
231.10062	16.4
235.09523	6.5
241.08456	2.9
247.09570	20.6
249.11157	14.2
259.09509	10.3
265.10666	17.8
277.10596	21.1
283.11682	2.2
295.08237	2.6
295.11667	55.0
313.12775	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41594	0.2
51.37292	0.2
51.98587	0.2
53.03946	0.6
55.01879	0.3
55.05515	0.4
56.90593	0.2
59.04990	0.3
65.61792	0.2
65.68748	0.2
67.05499	1.2
69.07053	0.3
69.87009	0.3
71.04971	2.5
79.05470	2.9
81.07034	2.0
83.01316	0.5
83.04981	0.3
91.05458	4.4
93.07032	4.7
95.04944	3.6
95.08579	0.6
100.12288	0.2
101.75140	0.3
102.04631	0.3
103.05453	51.4
103.79761	0.3
104.05779	0.3
105.07013	3.8
107.04939	3.9
107.08582	7.4
109.06502	1.2
111.04435	0.3
111.08065	0.6
115.05421	0.6
117.07008	2.9
119.08561	1.2
121.06495	1.9
123.07994	0.3
125.02238	0.3
131.04907	100.0
133.10121	0.4
135.08040	5.2
137.09605	2.1
145.06479	1.0
149.05992	0.5
163.07491	4.6
181.08572	2.6
189.21187	0.3
189.97029	0.3
193.11703	0.3
208.13312	0.3
329.13803	3.7
346.27631	0.3
347.18283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.2
53.03939	1.2
55.01857	0.6
55.05500	0.6
59.04996	2.8
59.47142	0.2
63.81588	0.2
66.62566	0.3
67.05499	1.6
68.51831	0.2
69.03420	0.6
69.07065	2.5
71.04977	5.8
74.56074	0.3
76.56814	0.3
77.03899	0.4
79.05479	3.3
79.77142	0.2
80.78369	0.3
81.03396	0.6
81.07024	2.2
83.04974	0.7
85.02875	0.6
91.05471	5.1
93.07026	7.2
93.07566	0.4
94.07388	0.3
94.34026	0.3
95.04958	6.3
95.08585	0.6
97.02879	0.4
97.06519	0.4
103.05455	46.5
104.05772	0.4
105.04523	0.4
105.07013	2.2
107.04910	1.0
107.08590	5.4
108.08885	0.3
109.02844	0.4
109.06511	1.2
111.04442	0.7
115.05437	0.6
115.07609	0.4
117.06991	2.3
119.08569	2.7
121.02818	0.4
121.06490	0.5
131.04913	100.0
132.05228	0.6
133.06537	0.3
135.08032	3.8
137.05959	1.1
139.03893	2.6
147.08012	0.4
153.09099	1.1
163.07504	1.3
181.08574	14.3
191.99321	0.3
199.57178	0.3
222.01012	0.3
240.59204	0.3
329.13687	2.5
344.80798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.81858	0.7
55.01855	4.4
55.05500	4.5
55.61075	0.7
56.96635	0.7
57.07055	4.9
62.74489	0.8
63.37722	0.9
65.03944	1.1
65.41912	0.8
67.05482	6.3
69.07050	8.4
71.03404	0.8
71.04998	1.7
71.93518	1.0
72.11562	1.0
79.00426	1.0
79.05475	24.2
81.07052	9.5
83.04970	1.7
83.08593	6.6
85.06510	1.0
91.05466	15.7
93.07025	100.0
93.86504	0.8
95.04944	4.5
95.08591	16.3
96.50910	1.0
97.06521	15.0
99.04439	1.9
99.08045	0.9
105.07035	8.8
107.08577	52.1
109.06512	3.8
109.10157	10.9
111.08041	7.0
117.06985	1.5
119.08566	5.1
121.06477	10.0
121.10122	5.3
123.11687	1.9
131.08502	1.2
133.10100	4.1
135.08049	11.3
135.11678	49.9
137.13246	1.1
139.07521	73.7
140.44386	0.8
143.08513	1.0
145.10045	1.0
147.11635	1.1
149.13252	4.4
153.09102	17.1
157.10117	0.9
159.11626	1.7
167.14336	1.0
168.55862	1.0
177.12755	3.9
191.00185	0.9
195.13777	66.1
213.14771	5.2
247.13010	1.6
294.95642	1.0
346.79959	1.1
347.21951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01852	0.5
56.96546	0.5
57.03418	1.8
57.70140	0.3
61.02904	2.3
69.03416	4.4
70.06558	0.5
71.04964	0.4
73.02881	0.8
78.74545	0.3
79.77931	0.3
81.03387	2.3
84.08121	0.8
85.02889	16.8
86.09684	0.8
91.03916	0.4
91.05471	0.6
93.07019	0.5
94.06538	1.7
95.04938	1.9
97.02861	3.7
99.04433	0.7
104.04948	0.4
105.07024	0.6
107.04939	100.0
108.04467	1.6
109.02846	2.1
115.03855	0.4
116.07035	0.4
117.07007	0.5
119.08521	0.5
121.06434	0.4
122.06007	5.7
127.03904	1.7
128.06189	0.3
131.08583	0.4
135.04352	0.7
145.04965	1.3
145.06470	0.4
145.10092	1.5
146.10455	0.5
147.08000	1.8
150.05492	1.5
151.03847	0.4
154.20636	0.4
159.08072	1.4
163.07625	0.5
168.06523	63.4
170.82741	0.3
173.09569	0.8
175.07535	0.7
177.08995	0.6
187.07394	0.5
189.08907	0.4
199.07579	0.5
200.74741	0.3
202.09398	0.4
203.06989	0.5
205.08594	0.5
217.08583	2.1
219.10094	0.4
222.92990	0.4
233.08141	0.4
235.09634	0.6
247.09604	0.5
263.09012	0.5
276.09497	0.5
293.10117	0.6
294.10553	0.8
347.09634	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	347.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01846	1.9
57.03423	6.8
61.02921	11.5
68.24677	1.5
69.03424	21.1
71.05000	1.6
73.02883	2.1
81.03397	9.2
85.02893	100.0
87.04442	2.7
91.03944	4.1
97.02867	27.2
99.04410	2.5
109.02874	2.2
127.03890	14.2
145.04951	23.3
163.06030	3.7
180.08684	11.3
219.59676	1.7
234.07782	2.0
341.40991	1.8
347.14514	3.5
364.04211	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	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
64.76974	0.6
65.03919	0.7
65.23531	0.5
69.03403	0.6
69.07070	0.8
71.04987	1.4
77.03927	0.7
79.05485	3.8
81.07036	1.3
85.02895	2.4
85.06542	0.9
90.01216	0.6
91.05463	17.1
93.07034	3.6
94.04207	2.1
95.04961	3.0
95.08604	1.2
97.06506	0.7
98.97578	0.6
103.05451	14.0
105.07021	3.7
107.04919	2.8
107.08583	3.0
109.06517	1.1
115.05479	0.9
117.07011	1.3
119.04916	10.4
119.08566	4.3
121.06480	7.0
121.10120	3.1
122.03608	6.1
123.04385	4.4
123.08038	0.9
124.05183	1.3
128.06157	1.2
129.06992	8.1
130.92287	0.6
131.04904	30.1
131.08508	0.9
133.02850	0.9
133.06462	0.9
134.03670	1.3
135.04416	3.0
136.16658	0.6
137.05959	62.4
139.11191	1.2
141.06976	0.7
145.06473	1.2
147.04393	100.0
147.08026	19.3
149.05966	9.5
149.09607	0.9
149.13289	0.7
150.06760	2.7
151.03912	0.7
151.07535	13.8
153.06998	0.7
157.06503	2.9
159.07954	0.7
161.05980	6.0
162.06792	5.0
163.07507	8.4
165.06996	3.9
167.08557	2.4
167.10651	5.1
169.06531	1.2
175.07516	36.6
177.05447	3.3
177.09145	1.0
178.07870	0.9
178.09412	0.7
179.07048	2.1
181.06482	1.2
182.07326	1.1
183.08127	0.9
185.11717	0.9
193.06656	2.3
193.08556	20.5
195.08096	3.3
197.06009	0.8
210.06700	1.3
211.07440	2.8
213.09131	1.4
221.05956	2.7
221.09630	1.5
223.07562	2.4
225.09097	2.2
239.06976	3.7
251.07089	1.1
253.08730	2.9
253.12244	2.6
256.07428	0.9
258.08826	1.3
267.10083	0.8
270.08881	1.1
271.09546	5.9
273.11212	3.4
299.12750	6.6
317.13742	3.7
346.71063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.5
54.45016	1.5
55.01858	13.4
55.05508	30.4
56.96556	1.9
57.07071	3.2
59.04994	3.1
62.88859	1.6
65.03928	2.8
67.05497	30.9
69.03412	17.3
69.07062	16.8
71.04980	23.6
73.06544	10.0
79.05482	36.8
81.03372	4.3
81.06596	3.9
81.07043	63.3
83.04972	23.2
83.08608	10.0
85.02893	39.1
85.06526	4.6
91.05470	57.5
92.05780	2.6
93.07029	82.4
95.04957	38.8
95.08613	15.6
97.06527	20.7
99.04448	2.6
103.05458	41.8
105.04430	2.2
105.07019	37.7
107.04938	2.7
107.08585	33.8
109.06525	26.7
109.10132	14.6
111.04430	3.6
111.08070	5.0
115.05466	3.8
115.07546	32.7
116.06196	3.4
117.06995	5.0
119.08582	19.5
121.06488	8.0
121.10126	12.9
123.08057	7.6
125.05966	9.1
125.09592	3.6
129.06999	3.2
130.07751	2.5
131.04913	100.0
131.08569	18.0
133.10123	18.2
135.08044	23.7
137.05983	2.2
137.09607	28.9
143.07025	11.0
143.08554	2.1
145.10144	4.5
147.11671	4.3
149.09602	32.6
155.42252	2.0
157.10049	3.7
159.08032	4.9
159.11629	2.1
161.09598	5.0
163.07462	2.4
163.11180	4.3
177.09065	2.8
181.08565	17.5
208.13300	2.8
217.15855	5.0
252.16763	2.3
270.32913	2.4
273.79016	2.2
277.18036	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	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86582	0.4
53.00307	0.4
54.81452	0.5
55.05498	1.1
57.07072	16.2
58.06591	2.7
58.14046	0.4
60.41439	0.5
67.05503	0.6
68.05013	0.5
69.07021	0.5
70.06586	30.2
71.08625	5.3
72.08128	0.6
72.12704	0.5
79.05498	0.9
81.07053	0.9
85.10172	1.2
88.07619	36.9
92.63545	0.5
95.08563	0.7
102.09167	22.2
105.07053	0.5
125.09640	0.5
132.10245	0.8
146.11760	0.5
238.67705	0.6
240.26907	1.2
273.57816	0.5
284.29456	69.7
328.32077	5.5
332.97006	0.6
346.33127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36795	3.3
55.05523	3.1
56.96560	12.6
57.12009	2.5
59.34028	2.7
59.50816	3.1
69.03423	19.0
69.07021	4.3
71.04972	5.0
71.15189	3.3
79.05474	8.3
81.03401	5.3
81.07047	4.8
85.02890	28.5
89.03921	26.9
91.05477	8.0
93.07013	13.5
95.04957	7.8
95.08602	4.7
97.02883	4.8
98.97562	17.5
99.04417	4.0
103.05475	4.5
105.07022	8.2
107.04944	5.2
107.08594	4.1
110.09677	5.0
116.98619	4.1
117.03365	13.5
120.08098	13.5
121.06475	15.1
121.10096	6.5
123.08099	6.7
124.07593	32.1
125.07892	7.3
125.09625	7.6
126.09087	3.4
128.98587	5.2
135.04428	29.3
138.09143	23.2
139.09441	5.6
139.11211	7.8
145.02815	17.7
149.05910	3.4
149.09604	8.2
150.34837	3.7
161.01154	3.8
161.75806	3.6
163.03868	100.0
163.05174	4.5
164.04202	8.4
166.08601	29.1
167.08977	5.0
167.10678	5.5
167.16544	3.4
177.00810	4.4
184.09663	53.4
185.09949	19.0
185.11577	6.1
219.01659	5.0
237.02763	7.7
263.06470	3.2
305.69321	3.7
339.07236	17.4
347.07257	36.0
347.16470	14.7
357.08517	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	346.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.9
55.01863	18.4
55.05508	32.4
57.07077	5.6
65.03934	4.8
67.05495	39.1
69.03428	27.4
69.03756	3.1
69.07050	21.0
71.04980	17.9
73.06543	4.6
77.17100	3.1
79.05485	57.7
81.03387	3.7
81.07037	87.0
83.04974	34.0
83.07945	3.4
83.08543	3.2
85.02890	17.5
85.06534	6.8
91.05460	65.7
92.08748	4.0
93.07030	100.0
94.07403	4.4
95.04949	47.3
95.08596	25.3
97.02859	5.4
97.06475	17.6
103.05430	4.5
105.07018	54.7
107.04919	7.4
107.08591	33.9
109.06486	28.4
109.10149	21.4
110.95856	3.0
111.08059	22.0
115.07560	20.9
117.07014	6.2
119.08580	40.1
121.06487	14.9
121.10130	14.5
123.08026	6.9
125.09599	6.5
129.07063	3.9
131.08537	24.3
133.06497	5.9
133.10110	23.5
135.08025	20.2
135.11659	4.8
137.09605	22.0
139.11172	4.6
143.08549	4.6
145.10091	5.4
147.11676	7.2
149.09619	76.5
151.11102	3.6
158.05983	3.5
160.61920	3.4
161.09674	4.4
175.11115	4.1
248.76814	3.4
303.54129	3.5
303.58755	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	346.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.1
55.01868	9.1
55.05505	47.1
55.13540	2.3
57.03432	4.6
59.04992	10.6
59.64511	2.0
65.03917	2.7
67.05492	95.2
69.03422	5.4
69.07056	25.5
71.04980	43.4
79.05045	4.3
79.05477	60.9
81.03428	2.6
81.07039	85.3
83.04967	56.2
83.08601	21.1
85.02885	3.4
85.06526	5.6
87.04462	3.4
91.05463	72.8
91.06004	3.4
93.07025	100.0
95.04953	36.7
95.08595	52.6
97.06516	15.2
97.10159	10.6
99.04449	8.6
99.08143	3.4
105.07024	46.5
107.04965	2.9
107.08574	36.4
109.06523	14.0
109.10143	68.2
109.10841	2.9
111.04366	3.3
111.08067	20.5
113.09597	2.7
115.07572	5.3
117.07018	11.2
119.08568	28.1
121.06492	2.4
121.10092	9.1
123.08040	40.7
123.11646	2.7
125.06005	3.2
125.09612	10.9
127.07600	2.7
129.07031	2.6
131.08569	12.4
133.10127	18.7
134.85880	2.4
135.08014	4.0
135.11691	3.2
137.09608	10.9
141.09132	4.8
142.07765	3.0
145.10121	4.6
147.11655	5.2
149.09647	4.8
149.13278	2.6
151.11108	3.7
155.10703	8.5
157.10101	9.7
159.11697	3.1
173.11713	51.6
173.13095	4.0
175.11240	2.7
177.74762	2.4
195.13829	4.0
203.03827	2.2
234.79114	2.3
275.17227	3.4
275.19965	21.0
366.32617	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26453	0.3
53.03949	0.4
57.03442	0.4
61.02914	0.6
69.03421	2.0
79.05473	1.3
81.03416	0.7
81.07008	0.4
85.02893	9.4
91.05464	26.4
93.07018	1.5
96.40489	0.4
97.02876	2.8
99.04436	0.6
103.05442	0.4
105.07024	2.1
107.08611	0.4
109.02835	0.5
115.05400	0.5
116.06229	1.4
116.98556	0.3
117.06995	4.9
118.07784	2.3
119.08563	73.8
120.08913	0.6
121.06493	2.6
127.03896	0.8
129.06989	1.5
130.09276	0.3
131.08545	50.1
132.08914	0.4
133.06445	0.5
133.10110	0.8
142.07690	0.4
145.04938	0.5
145.10133	1.8
149.09599	100.0
150.09894	0.5
155.08528	1.4
157.10165	0.4
169.10121	0.5
173.09624	1.4
197.09578	0.7
257.11545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.3
53.03944	17.7
54.81982	2.1
55.01867	18.2
55.05498	33.7
57.07054	9.5
59.04976	2.8
65.03912	4.3
67.01805	2.5
67.05486	40.8
68.99789	2.9
69.03407	14.5
69.07056	19.9
71.04980	28.8
73.06537	3.6
73.22869	2.2
79.05482	65.7
81.03391	3.5
81.06598	4.8
81.07041	82.2
83.04961	37.4
83.08597	2.8
85.02891	56.1
85.06512	13.7
91.05463	82.8
93.07027	100.0
95.04340	2.6
95.04943	74.0
95.08591	20.5
96.32915	2.2
97.02813	3.4
97.06512	23.6
99.04444	3.7
99.08031	2.8
103.05483	3.5
105.03391	4.7
105.04496	5.0
105.07001	55.4
107.08580	34.4
109.06504	43.6
109.10146	20.4
111.04396	2.6
111.08038	14.6
115.05438	3.3
115.07546	66.7
116.06227	3.0
117.06979	11.9
119.08566	25.0
121.06470	11.4
121.10099	12.4
123.08044	10.2
123.11703	3.7
129.06963	3.6
131.08543	22.1
133.06480	2.9
133.10091	13.7
135.08005	30.9
137.05867	2.6
137.09596	64.1
137.13220	3.5
141.09093	5.1
142.07707	2.6
145.10114	12.3
147.11623	4.9
149.09613	18.9
152.39012	2.6
159.08072	3.8
161.09583	5.8
163.11165	4.5
165.12767	3.2
175.11139	2.9
176.10612	6.0
181.12088	3.2
191.14223	2.8
194.11607	2.8
215.14423	2.8
217.15927	3.3
233.15390	4.6
288.70084	2.6
302.42926	2.7
328.23123	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01863	3.4
55.05499	12.7
57.03428	48.0
57.07060	6.5
58.01281	1.5
59.04992	19.9
61.02916	29.2
67.05492	30.6
69.03415	36.7
70.25594	1.4
71.04971	41.2
73.02899	27.9
75.04465	31.2
81.03379	3.5
83.04967	48.1
83.05447	3.0
85.02891	72.6
85.06520	19.5
86.03226	7.2
87.03321	1.7
87.04456	14.5
89.06009	14.4
90.09623	1.8
91.03934	7.5
91.05496	2.5
95.04942	18.2
97.02866	7.6
98.97565	1.8
101.02391	3.1
101.05996	3.1
103.03917	17.0
105.07020	10.3
109.02890	2.3
113.05985	70.5
117.07047	2.2
119.08535	12.3
121.06521	1.8
122.16174	1.8
127.03899	3.7
129.05437	2.6
129.06973	3.8
130.39632	1.7
131.07013	100.0
131.08467	10.9
133.10095	8.8
142.07761	2.5
144.09349	5.8
145.04912	2.8
145.10065	6.2
147.11716	2.9
149.04451	12.5
149.08064	54.7
152.35385	1.4
157.10106	8.3
159.11647	40.5
161.09610	3.1
167.05476	8.4
167.09125	66.4
173.09613	6.7
175.11125	34.2
189.09164	2.6
201.09099	3.3
203.10649	15.4
221.04865	1.8
221.11739	15.9
238.65520	2.0
247.09270	2.4
249.11191	2.8
275.09152	3.4
293.10095	14.0
311.11200	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
54.35348	0.6
55.01866	5.6
55.05484	1.2
55.12276	0.6
57.03426	16.0
58.79498	0.7
61.02916	12.2
65.03903	0.7
67.05494	0.7
69.03413	30.2
71.04972	5.0
73.02885	5.6
77.76843	0.7
78.89078	0.7
79.05467	19.2
81.03394	11.8
81.07031	0.9
85.02888	100.0
87.04445	1.7
91.03944	5.6
91.05459	24.8
93.07022	53.1
94.88945	0.7
95.04923	2.7
97.02866	26.5
97.03488	1.0
99.04420	5.7
103.05418	0.8
105.07020	6.6
107.04947	7.7
107.08575	6.5
109.02856	7.7
109.06500	1.1
116.06225	1.7
119.08582	6.2
121.06476	4.7
121.10129	22.0
127.03902	15.5
129.05438	0.8
129.06995	2.8
131.08545	43.5
133.10101	1.0
134.56422	0.7
137.05960	6.6
145.04941	19.9
149.09595	46.0
162.06230	0.9
163.05969	3.6
167.06984	0.8
167.10631	25.4
177.09030	0.7
205.08424	0.8
211.09538	1.1
293.13809	4.3
328.12262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12656	0.2
53.03941	0.2
55.05491	0.3
55.39730	0.2
57.03423	1.0
58.42024	0.2
58.43190	0.2
61.02916	1.8
66.72139	0.2
69.03413	4.3
71.04959	0.4
73.02892	0.9
79.05465	1.3
81.03388	1.5
85.02889	10.8
87.04450	0.5
91.03923	0.4
91.05458	7.1
97.02870	3.0
99.04425	0.5
107.04942	24.5
109.02864	1.0
110.06026	0.3
115.05408	0.5
116.06221	2.1
119.04950	0.2
119.08569	0.4
121.06471	0.3
124.07569	3.2
127.03917	1.5
129.06976	1.4
131.04871	1.7
131.08545	100.0
132.08899	0.3
138.09142	1.0
145.04924	1.5
147.04395	0.4
149.05968	2.7
149.09598	8.1
163.29553	0.2
166.08656	0.5
173.09654	0.3
184.09660	3.5
257.11734	0.4
275.12607	0.4
286.39853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37544	1.3
55.01862	1.4
55.05491	2.2
56.96546	1.9
57.03430	3.5
66.73858	1.5
69.03421	7.8
73.02908	2.8
80.20631	1.6
83.04977	4.0
85.02901	11.8
86.09687	8.7
91.05470	3.1
93.06991	3.5
97.02855	2.1
98.97559	3.8
99.40201	1.6
105.07013	13.1
107.04944	7.4
109.02917	1.8
110.06044	1.7
111.04419	3.2
111.52512	1.5
117.07028	2.8
119.08556	6.0
121.06520	6.2
127.03893	3.7
129.06964	3.4
130.07773	3.6
131.08540	2.9
133.06500	2.5
137.05971	2.0
139.07523	2.0
142.07765	13.6
143.08560	8.3
145.06473	3.5
145.10121	36.3
146.07262	2.7
147.11731	3.3
148.03847	12.3
148.07565	6.5
149.06052	2.0
153.07147	1.7
155.08536	10.4
157.06497	2.2
157.10114	23.2
158.07230	6.6
159.08025	10.3
159.11646	1.9
161.06104	2.0
161.09618	11.5
161.63788	1.7
163.07512	2.3
166.04961	27.0
166.07240	2.7
166.08601	2.1
171.08043	3.5
172.08629	1.8
173.09576	48.1
175.07579	5.9
175.11162	19.4
177.09041	3.3
183.04706	1.7
183.08047	10.4
184.06009	17.9
184.09659	3.3
185.05930	2.2
185.09579	10.9
187.07518	9.7
189.09068	12.4
191.10617	10.0
199.07529	6.4
201.09100	36.7
203.07010	7.4
203.10696	7.9
205.08662	6.1
213.09021	6.7
217.08597	20.8
218.09370	7.2
219.10051	17.2
229.08513	21.0
231.10133	2.6
245.08144	3.3
247.09613	30.3
257.07986	7.2
263.09122	2.9
265.10645	12.7
275.09122	13.5
293.10141	100.0
311.11203	22.5
329.12146	2.9
346.14847	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01862	3.6
56.05035	0.6
57.03429	9.5
61.02914	13.5
62.65752	0.6
65.90400	0.7
69.03413	23.2
70.06574	0.9
71.04965	3.9
73.02906	10.0
79.05469	4.6
81.03400	8.0
83.01327	0.7
83.04903	0.9
85.02891	100.0
86.09709	3.5
87.04445	3.5
91.03927	5.0
91.05466	1.2
92.66226	0.7
93.07028	3.4
96.66374	0.8
97.02876	26.2
98.97584	1.0
99.04455	3.3
101.02343	1.0
103.05450	11.1
105.07013	3.5
107.04932	12.7
109.02870	9.4
109.06496	1.2
109.96320	0.7
111.85628	0.9
116.07075	1.3
119.08549	0.8
121.06481	57.0
122.09639	1.0
124.07566	8.7
127.03895	16.8
131.04921	4.8
133.06419	0.8
136.06157	6.7
137.05911	1.3
138.09145	4.0
139.07494	0.9
145.04935	20.6
149.05969	10.4
150.09096	2.8
151.03867	0.9
157.10139	1.4
163.05991	4.5
167.07019	7.0
168.10156	5.6
170.95638	0.7
178.08643	1.6
180.08611	1.5
184.09596	1.0
196.09657	6.0
214.10722	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58455	0.3
55.01857	0.3
55.05483	0.4
57.03415	1.6
61.02906	0.9
65.55127	0.4
66.86063	0.4
69.03419	5.4
72.08131	0.4
73.02906	0.9
77.03909	0.4
79.05475	16.0
81.03401	1.7
81.55690	0.4
85.02895	12.4
85.03380	0.8
91.05463	7.0
92.09350	0.5
92.68598	0.4
93.07065	0.5
97.02869	3.6
99.04459	0.5
103.05444	4.0
105.07027	3.0
107.04942	100.0
107.08624	0.5
109.02842	0.9
115.03944	0.4
116.06203	0.8
119.08529	0.7
121.10188	0.5
124.07605	0.6
127.03902	1.0
129.06989	0.4
131.04909	24.3
131.08549	63.5
133.06483	0.7
144.40448	0.6
144.70604	0.4
145.04944	0.9
149.05968	31.8
149.09615	3.5
162.86459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2401
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
50.25226	0.4
52.63535	0.4
53.71018	0.4
54.81829	0.5
55.01861	0.6
55.05492	0.8
67.05488	2.4
67.69067	0.4
69.07057	1.1
71.79572	0.5
79.05468	2.6
81.07053	4.1
91.05471	3.3
93.07024	5.1
95.04939	0.8
95.08581	3.6
98.59234	0.6
99.02432	0.5
99.08065	3.2
103.05466	0.7
105.07014	3.2
105.95645	0.5
107.08586	2.6
109.06487	0.8
111.08105	0.9
117.07035	0.5
119.08571	0.8
121.10096	0.7
123.71622	0.4
127.07536	1.1
131.08536	0.7
133.10091	1.0
135.11722	0.6
145.10115	1.9
159.11719	0.7
327.22876	1.9
345.23947	100.0
346.24182	0.7
348.86624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05504	8.8
56.51487	0.4
57.07063	2.7
59.04989	0.9
67.05491	10.9
69.07054	22.1
69.94483	0.5
71.04953	0.7
71.08617	0.8
71.22061	0.4
79.05478	9.2
81.07040	100.0
83.08607	4.2
85.06538	4.3
91.05453	3.8
92.08699	0.8
92.09206	1.0
93.07024	17.5
95.04953	0.8
95.08585	48.9
97.06517	3.1
97.10159	1.2
99.08064	2.5
101.15585	0.5
103.05423	1.1
105.07022	4.3
106.47263	0.5
107.08572	12.1
109.06534	0.5
109.10146	12.6
111.08069	8.2
111.11699	6.8
117.07015	0.7
119.08563	3.3
121.10130	10.0
123.11668	5.3
127.11128	0.6
131.04889	2.9
133.10132	1.1
135.11722	3.6
137.05972	6.5
137.13245	23.0
137.40303	0.5
139.11208	1.0
147.11670	1.2
149.13217	9.2
151.07524	1.1
155.14272	7.5
163.07512	2.4
163.14821	2.8
173.15335	6.7
177.09053	7.1
177.16310	0.6
211.07379	0.7
217.19278	0.6
222.42284	0.5
232.28638	0.6
259.93256	0.6
273.25815	0.5
291.26804	3.3
299.09048	0.7
309.27814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.18892	0.5
55.01868	2.8
57.03428	2.3
61.02916	3.1
61.63247	0.5
62.87313	0.6
67.05493	1.2
69.03416	7.2
69.07072	0.7
70.06565	0.8
73.02908	1.0
78.44598	0.5
79.05466	1.0
81.03404	2.7
81.07038	1.0
83.04971	1.5
85.02892	13.6
86.09686	4.0
87.04497	0.8
91.05472	1.0
93.07023	4.7
95.04922	1.1
95.08580	10.7
96.08124	1.4
97.02881	3.6
98.95328	0.7
98.97561	1.1
99.04443	1.3
103.05461	1.3
105.07011	1.3
107.04932	0.6
108.08113	6.3
109.02821	1.1
110.06049	0.6
110.09669	12.6
112.07603	0.7
113.06002	3.5
116.98597	1.2
120.08080	13.7
121.06481	11.1
123.04414	1.2
123.08023	6.1
124.07561	48.7
125.06008	1.0
126.09142	3.7
127.03902	1.1
131.04994	1.3
137.05980	1.5
138.09117	39.7
148.07561	10.7
149.06000	3.6
155.98665	0.7
163.03937	3.9
166.08594	37.7
167.06985	1.1
184.09657	100.0
185.18544	0.6
203.80806	0.7
250.14606	0.6
268.30469	0.6
281.07748	0.7
329.12250	1.0
339.07626	0.8
346.15088	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01845	1.5
55.05511	9.7
55.48783	1.4
57.03426	1.6
57.07060	7.4
59.04998	1.9
62.54597	1.5
67.05502	29.9
69.03427	4.2
69.07047	17.0
71.04986	9.7
71.09843	1.6
79.05471	41.4
81.07040	100.0
81.85399	1.7
83.08653	1.9
85.06530	2.3
91.05462	52.0
93.07022	30.4
95.04943	20.5
95.08586	15.1
97.06492	2.8
100.99707	1.7
103.05455	16.1
104.06236	2.5
105.03368	2.9
105.07021	79.0
107.04937	8.5
107.08565	44.5
109.02854	1.8
109.06520	36.7
109.10127	25.6
110.38583	1.8
115.05466	14.4
117.07010	10.1
118.04136	27.6
119.04942	3.2
119.08581	9.9
120.05726	3.8
121.06494	9.8
121.10134	3.7
122.07243	2.4
123.08067	3.2
123.11693	34.7
124.05197	10.5
125.05934	1.5
128.06223	1.8
129.06985	3.6
131.04921	7.8
131.08539	4.1
132.05646	2.6
133.06482	44.8
133.10107	33.1
134.07222	2.5
135.04401	2.9
135.08070	7.0
135.11655	1.7
137.05981	2.6
143.04939	2.3
143.08588	2.2
145.06506	2.5
145.10126	3.6
147.04416	7.0
147.08067	12.1
148.05183	2.3
150.06740	13.3
151.07515	3.8
151.11147	22.6
154.06256	6.7
159.11659	2.8
161.05951	11.3
163.07552	7.5
165.05444	2.5
165.09073	22.0
175.07536	9.3
177.09071	1.8
180.07814	29.4
192.07835	3.6
193.08575	74.0
193.12297	2.3
195.10188	12.9
207.10181	22.2
324.17355	2.1
345.20212	18.2
345.24069	26.2
351.99823	2.1
352.61368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.89428	0.2
67.05508	0.5
69.07047	0.4
79.05481	1.2
81.06592	0.3
81.07037	2.2
84.38522	0.3
91.05436	1.2
93.07024	2.1
95.08591	0.8
105.07025	1.4
107.08565	1.4
121.10131	0.5
130.92656	0.3
131.08553	0.5
133.10144	0.6
135.07950	0.3
135.11641	0.4
135.62436	0.4
145.10081	0.5
149.49229	0.3
193.11984	6.1
327.23026	0.6
345.23978	100.0
346.24051	0.4
356.87085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.24
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
54.50466	0.4
61.93018	0.5
64.56942	0.4
69.07050	0.5
76.56016	0.5
79.05459	0.5
81.07031	1.0
85.76268	0.5
91.05455	0.9
93.07028	2.0
105.07040	2.1
107.08549	0.8
109.06568	0.5
109.10132	0.5
111.33083	0.5
133.10141	1.2
161.05782	0.7
327.23026	1.0
345.23950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05510	0.5
55.21601	0.4
57.47213	0.4
67.05489	1.9
69.07053	0.7
73.24245	0.4
79.05472	1.8
80.48398	0.4
81.07035	3.6
91.05452	1.9
93.07036	3.1
95.04954	1.0
95.08566	0.7
98.45899	0.5
105.07042	3.7
107.08591	2.0
109.06511	1.0
109.10083	0.5
117.07059	0.4
119.08578	1.6
123.11712	0.8
131.08525	0.9
133.10097	0.6
135.08090	0.6
135.58896	0.4
145.10034	1.0
147.11682	0.5
151.11176	0.8
156.54547	0.4
159.11667	0.4
163.11253	0.5
163.47580	0.4
164.14026	0.4
185.72787	0.4
195.46576	0.5
309.50406	0.4
327.23080	1.7
345.23950	100.0
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
55.01855	0.5
63.07444	0.2
67.27093	0.3
69.03419	0.3
77.15372	0.3
79.05468	2.9
81.07040	0.5
83.97439	0.3
86.09699	0.7
91.05447	4.0
92.09312	1.1
93.07025	1.3
94.04167	3.6
95.04962	0.6
103.05451	11.0
103.06105	0.6
105.07021	5.7
107.04919	1.3
107.08575	0.3
109.06480	1.5
115.05435	0.8
116.50221	0.3
117.06983	2.2
119.04910	0.6
119.08553	0.6
121.06480	2.9
122.03632	14.0
128.06180	0.5
129.06956	0.7
131.04904	11.9
133.06473	12.1
135.08034	7.6
137.05959	100.0
143.08521	0.5
145.06497	3.5
147.08038	0.7
151.07526	3.8
157.06432	1.4
162.06743	0.5
163.07520	19.1
165.09131	0.7
168.54347	0.4
171.07976	0.5
174.06705	0.5
175.07498	1.8
177.09061	4.2
187.07472	0.5
189.09077	1.4
203.10715	0.7
207.07851	0.4
213.20313	0.3
235.11113	0.5
263.10590	0.7
295.13245	2.0
327.15787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22238	0.4
51.64705	0.5
55.01865	1.3
55.05500	0.9
55.17718	0.5
56.96553	1.2
65.03917	4.3
67.05479	3.0
69.07047	1.2
71.27083	0.5
79.05480	5.1
81.07043	4.8
83.04972	0.7
91.05456	7.1
92.65016	0.6
93.03390	6.2
93.07019	3.1
94.04154	1.2
95.04942	3.0
95.08585	2.9
98.97553	1.2
103.05429	1.5
103.93054	0.6
105.07010	22.6
107.04931	3.1
107.08572	0.8
109.06472	1.0
109.10099	0.8
111.04430	10.8
116.98584	0.7
117.06996	1.5
119.04892	3.5
119.08553	1.3
121.06474	0.8
121.10197	0.8
122.03626	6.6
124.05225	0.8
125.05983	11.2
128.06151	0.9
131.04936	0.6
131.08560	0.7
133.06467	15.7
133.27562	0.7
134.48030	0.7
137.05959	100.0
143.08556	6.4
145.06464	3.6
147.08064	0.7
149.05737	0.6
151.03893	32.5
151.05014	3.7
151.07509	14.0
153.05464	14.7
159.08032	3.3
159.52898	0.9
161.09570	0.7
162.06706	1.3
165.05334	0.7
165.09056	18.8
171.08028	5.1
175.11192	0.8
177.09096	2.6
181.08540	1.0
188.08302	4.1
189.09073	0.8
191.10611	1.0
203.10646	10.1
221.11710	24.7
257.83228	0.7
301.65802	0.6
327.15689	1.4
345.16760	3.0
355.15234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56411	1.4
51.56134	1.3
53.03939	38.2
53.21507	1.7
54.14585	1.7
55.01848	2.5
55.05500	3.7
56.40016	1.6
67.05492	24.3
69.07053	26.0
76.56414	2.3
78.98437	1.7
79.05467	10.3
81.03400	100.0
81.07047	27.9
83.04955	10.4
91.05453	7.7
92.08614	3.8
93.07025	19.0
95.04949	22.3
95.08580	4.3
105.07021	14.1
107.08566	10.8
109.06464	4.1
109.10128	3.6
119.08574	3.4
121.09231	1.8
121.10073	2.8
131.04947	2.1
133.10133	8.5
135.11664	3.1
137.05933	2.5
145.10109	2.0
151.11166	35.9
159.11655	2.4
161.64999	2.4
221.56360	2.2
231.17960	2.0
272.52634	2.4
327.19504	2.3
345.24176	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	345.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28922	1.3
51.57607	1.3
52.71696	1.3
53.03929	1.7
53.91125	1.4
55.01859	3.1
55.05497	10.2
56.96544	1.9
57.07063	7.0
59.04973	2.3
65.03905	2.1
66.04711	2.1
67.05490	38.5
69.03405	7.6
69.07053	26.8
71.04978	22.2
79.05473	29.0
81.07037	100.0
83.04964	2.3
85.06541	7.8
91.05457	42.0
92.09274	3.3
93.07027	34.8
93.75918	1.6
95.04942	36.0
95.08585	22.1
97.06489	1.8
99.08053	2.1
103.05447	12.3
105.07017	84.1
106.07306	1.9
107.04927	14.3
107.08577	22.9
109.06500	64.9
109.10143	42.0
115.05424	10.0
116.06213	1.9
117.07000	9.0
118.04130	31.2
119.04905	2.3
119.08538	12.0
120.05686	3.5
121.06483	11.1
121.10127	7.7
122.07246	3.2
123.08052	3.9
123.11697	28.1
124.05166	15.6
131.04903	7.4
131.08557	8.7
133.06473	39.6
133.10098	56.5
134.07262	8.1
135.04457	3.4
135.08052	8.0
137.05946	6.5
137.09589	3.0
143.08543	3.8
145.10109	14.7
147.08026	10.5
147.11647	2.6
150.06747	14.2
151.07497	6.9
151.11168	19.7
154.06201	3.7
157.10106	2.2
159.08029	2.6
159.11671	3.7
161.05922	4.1
161.09612	1.9
163.07484	4.0
165.09045	19.4
175.07590	2.3
176.20164	2.1
180.07826	1.8
192.07780	11.7
193.08568	61.5
193.11916	1.8
195.10173	2.8
206.87047	1.8
207.10056	3.7
211.27034	1.7
218.18671	2.0
285.21988	2.2
310.08929	1.8
327.23022	3.0
345.20309	7.5
345.24005	9.0
357.72165	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01875	2.8
55.05500	11.2
56.78704	1.7
57.03419	2.8
57.07076	2.5
59.04981	2.9
59.32395	1.7
65.03930	2.4
66.69160	2.0
67.05495	45.6
69.03412	9.9
69.07051	23.2
71.04972	25.3
79.05478	30.8
81.03412	2.0
81.07039	100.0
85.06522	7.2
91.05463	49.7
92.08697	4.0
93.07023	43.4
95.04949	42.0
95.08583	24.5
96.37944	1.7
97.06521	2.8
99.08077	3.9
103.05450	18.2
105.07023	85.9
107.04925	8.5
107.08563	24.4
109.02934	2.2
109.05811	3.1
109.06496	58.0
109.10140	44.1
109.48260	1.7
115.05431	9.3
117.07001	10.5
118.04144	26.0
118.07871	1.7
119.04931	4.0
119.08536	17.2
120.05683	2.0
121.06488	11.5
121.10126	7.1
123.08070	4.9
123.11707	32.1
124.05161	13.0
129.06981	2.5
131.04932	9.4
131.08533	10.8
133.06471	33.0
133.10115	63.9
134.07214	3.4
135.04396	2.9
135.08014	10.8
135.11700	2.9
143.08517	3.9
145.10115	8.4
147.08017	3.8
147.11703	2.6
149.09576	3.2
150.06723	13.2
151.07498	3.2
151.11171	26.8
154.06160	2.8
157.10114	3.6
161.05960	8.3
165.09053	17.0
171.11636	2.6
175.07509	2.9
177.09073	2.5
192.07857	7.9
193.08575	52.4
207.10187	8.0
345.20392	2.8
345.24219	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39702	0.7
50.71583	0.7
55.01874	1.1
55.05507	3.8
59.41311	0.8
65.03908	1.0
67.05486	4.4
69.03408	1.8
69.07047	7.2
70.86868	0.9
71.04958	1.1
79.05463	6.1
79.69907	0.9
81.03373	1.0
81.07043	15.8
82.07365	1.2
83.04959	1.2
83.08600	1.4
85.06490	1.6
91.05484	8.2
93.07009	7.2
94.04181	4.4
95.04939	1.9
95.08592	9.4
103.05442	14.4
105.07011	11.0
107.04968	1.5
107.08591	5.9
109.06535	3.1
109.10168	1.8
111.08074	1.0
111.11772	1.4
117.07004	4.1
119.08554	2.3
121.06468	1.6
121.10140	3.7
122.03654	13.7
123.11696	1.1
131.04918	17.3
131.08539	1.7
133.06480	12.1
135.08038	7.2
137.05963	100.0
138.44380	0.9
141.05486	0.9
143.08574	1.5
145.06494	4.0
145.10146	1.4
147.08015	0.9
147.11621	1.4
149.05899	1.0
151.03841	4.7
151.05031	1.0
151.07542	7.2
152.04214	2.2
153.04366	1.8
157.10101	0.9
162.06711	1.3
163.07510	21.6
175.07489	1.7
177.09061	19.9
212.27829	0.9
249.44270	0.9
277.60394	0.9
295.12927	1.4
313.10364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81278	1.0
76.03525	1.0
79.05459	2.6
81.07047	1.1
91.05475	7.6
93.07011	1.2
94.04167	2.1
103.05452	17.4
105.07018	2.7
112.16106	1.0
112.73100	1.0
115.05487	1.8
117.06962	4.3
119.04939	1.4
121.06500	4.6
122.03638	6.3
123.08050	2.0
131.04910	25.6
133.06435	2.2
133.45662	1.2
135.08026	1.3
137.05963	78.2
145.06464	2.1
151.07520	16.5
162.06714	6.1
163.07518	34.6
175.07510	7.0
177.09081	100.0
195.10158	5.4
211.63997	1.1
221.11690	2.6
270.70529	1.1
344.80563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
53.46032	0.4
55.01874	0.7
55.05512	2.0
56.96568	0.6
59.04980	0.8
65.03931	4.3
67.05489	2.7
69.07057	1.0
73.07027	0.5
74.09719	0.8
79.05492	4.8
81.07034	5.1
83.08595	0.8
88.45795	0.5
91.05460	7.2
93.03384	4.9
93.07030	3.3
94.04178	1.0
95.04941	3.6
95.08599	4.0
98.97564	1.1
99.04465	0.5
103.05470	3.5
105.07016	23.6
107.04973	3.0
107.08561	1.2
109.06520	2.1
111.04435	12.3
115.05483	0.9
116.98589	0.7
117.07022	2.1
117.51826	0.5
119.04937	3.6
119.08566	0.9
119.82615	0.5
121.06506	0.7
122.03630	6.9
124.05211	0.6
125.05968	11.0
128.06226	1.2
131.04930	1.0
131.08553	2.6
133.06467	18.5
133.07390	1.0
133.10091	2.0
135.08081	0.7
137.05963	100.0
141.05481	1.0
143.08563	5.3
145.06461	3.2
145.10153	1.1
147.11656	0.7
149.05893	0.5
151.03896	31.3
151.05020	2.9
151.07518	12.3
153.05458	14.7
153.06612	1.0
157.10112	0.6
159.08058	2.8
162.06793	1.2
163.07541	1.0
165.09091	16.9
171.08038	5.6
171.64243	0.7
177.09132	2.5
181.08563	0.9
188.08327	4.2
191.10614	0.7
203.10643	10.0
221.11678	17.0
253.65433	0.6
327.15750	1.2
345.13123	0.7
345.16876	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39702	0.7
50.71583	0.7
55.01874	1.1
55.05507	3.8
59.41311	0.8
65.03908	1.0
67.05486	4.4
69.03408	1.8
69.07047	7.2
70.86868	0.9
71.04958	1.1
79.05463	6.1
79.69907	0.9
81.03373	1.0
81.07043	15.8
82.07365	1.2
83.04959	1.2
83.08600	1.4
85.06490	1.6
91.05484	8.2
93.07009	7.2
94.04181	4.4
95.04939	1.9
95.08592	9.4
103.05442	14.4
105.07011	11.0
107.04968	1.5
107.08591	5.9
109.06535	3.1
109.10168	1.8
111.08074	1.0
111.11772	1.4
117.07004	4.1
119.08554	2.3
121.06468	1.6
121.10140	3.7
122.03654	13.7
123.11696	1.1
131.04918	17.3
131.08539	1.7
133.06480	12.1
135.08038	7.2
137.05963	100.0
138.44380	0.9
141.05486	0.9
143.08574	1.5
145.06494	4.0
145.10146	1.4
147.08015	0.9
147.11621	1.4
149.05899	1.0
151.03841	4.7
151.05031	1.0
151.07542	7.2
152.04214	2.2
153.04366	1.8
157.10101	0.9
162.06711	1.3
163.07510	21.6
175.07489	1.7
177.09061	19.9
212.27829	0.9
249.44270	0.9
277.60394	0.9
295.12927	1.4
313.10364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91598	0.4
64.33384	0.5
64.68170	0.4
67.91564	0.4
95.78794	0.6
98.97552	2.4
105.07060	0.5
116.98597	2.4
125.06049	0.5
134.99666	0.8
135.04393	0.6
137.05974	2.0
139.03851	0.6
145.09981	0.6
163.03923	3.1
164.04242	0.8
165.04276	0.9
165.05547	0.8
165.08875	3.1
175.02663	0.6
183.09927	1.7
203.05241	4.0
327.14035	1.1
328.11032	0.6
345.15149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.2
61.77550	0.2
65.03919	0.4
67.05489	0.3
78.94465	0.2
79.05486	2.0
81.07040	1.1
89.22594	0.2
91.05466	3.5
93.07006	0.5
94.04166	4.2
95.04959	1.0
103.05453	11.9
104.25506	0.3
105.07021	5.4
107.04953	1.5
109.06513	1.6
115.05441	1.1
117.06985	1.6
119.04918	1.0
119.48552	0.2
121.06505	2.6
122.03629	13.4
123.08041	0.3
128.06224	0.9
129.06969	0.5
131.04912	10.5
133.06476	11.5
135.08031	5.5
137.05963	100.0
143.04878	0.3
143.08536	0.5
145.06482	2.9
149.06023	0.3
151.07533	4.7
157.06491	1.4
159.07948	0.4
162.06680	0.4
163.07521	18.8
165.09174	0.3
171.08005	0.6
174.06769	0.3
175.07538	1.3
177.09091	2.0
183.62227	0.2
187.07501	0.3
187.80110	0.3
189.09123	1.3
203.10545	0.6
235.10997	0.4
263.10684	0.5
295.13354	1.9
327.15765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84317	0.3
52.10030	0.3
55.01865	0.4
67.05489	0.6
74.09702	0.5
78.60631	0.3
79.05472	2.0
81.07030	2.1
85.02917	0.3
86.70380	0.3
91.05452	3.6
93.07019	2.0
94.04173	0.7
95.04933	1.3
95.08585	1.3
101.11465	0.3
103.05447	10.7
105.06999	0.5
107.04939	1.4
107.08558	1.5
109.06514	0.8
115.05402	2.2
117.06996	5.9
119.04909	2.2
119.08583	0.7
121.06494	3.5
121.10069	0.4
122.03632	4.7
123.08057	3.2
128.06192	1.5
131.04906	23.2
133.06503	0.5
135.08052	1.4
136.05267	0.5
137.05959	51.5
143.08545	1.6
145.06467	1.2
147.08054	0.5
147.11745	0.3
149.05981	1.5
149.09605	1.8
151.07532	16.2
160.05214	0.6
161.05992	0.4
162.06746	4.3
163.07515	27.7
171.07962	0.7
171.86433	0.4
175.07520	4.3
177.09077	100.0
178.09348	0.3
195.10115	5.8
200.05774	0.4
203.10464	0.5
221.11662	4.6
270.11838	0.3
299.12579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01872	2.8
55.05507	4.4
56.40192	1.8
65.03934	7.6
65.10989	2.3
67.05481	4.0
69.07040	3.2
79.05473	3.5
81.07027	8.7
91.05433	2.5
93.07030	10.0
95.08559	8.9
96.02100	9.1
105.06992	3.6
106.34634	2.3
107.01257	2.2
107.08564	2.5
109.10165	3.0
111.04447	33.9
117.06977	2.6
119.04880	2.4
119.08539	2.3
121.06577	1.9
123.04385	4.4
125.05944	2.2
129.06993	4.9
131.04927	4.2
137.05960	12.1
139.03911	16.2
144.05656	3.3
145.06441	9.6
153.07008	10.6
155.04950	3.8
157.06441	11.3
159.08025	10.4
160.08783	10.6
161.06003	10.1
161.09479	3.0
163.07564	2.8
165.07036	4.9
167.03383	3.2
168.05663	8.8
169.06461	4.9
171.08012	3.7
175.07455	3.6
177.09050	9.6
178.07704	4.8
179.08586	11.7
181.06451	14.0
182.07217	4.9
183.08003	10.0
185.05954	12.1
187.07501	9.0
188.08307	5.4
195.08076	13.3
196.05182	10.2
196.08891	5.0
197.05956	4.9
197.09564	5.1
198.06699	29.0
199.07495	4.4
200.08260	4.6
206.07237	2.9
207.04289	2.7
207.08051	12.7
208.08824	4.8
209.06036	8.8
209.09578	2.9
211.07573	20.5
211.11169	9.1
213.05489	15.8
213.09126	4.6
221.05931	2.6
221.09698	3.3
223.07489	9.9
224.04675	3.5
224.08304	11.0
225.05391	2.3
225.09030	4.9
226.06187	14.3
227.07028	12.9
228.07736	10.1
234.06764	2.6
235.07518	4.8
237.05365	4.1
238.06126	3.0
238.09804	15.5
238.77853	2.3
239.06978	37.5
239.10600	18.8
240.07782	16.1
241.04849	13.4
241.08490	17.5
243.06422	20.1
249.09050	3.6
252.04042	2.4
252.07739	10.0
253.08646	17.3
253.12115	3.1
255.06430	9.0
256.07315	24.1
258.08609	3.0
266.09314	2.8
267.06967	6.0
267.10114	33.7
268.07260	43.6
269.08047	37.8
271.09619	4.4
271.13211	3.1
281.08090	3.2
284.06888	4.3
284.10376	15.6
295.09473	3.0
296.10379	13.7
299.05789	4.7
299.09128	100.0
299.12677	12.0
313.10632	13.1
327.12207	71.6
334.37689	2.5
345.13266	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.63596	0.6
55.01857	4.7
57.03432	7.2
61.02927	11.9
61.43716	0.7
69.03419	16.6
69.07054	3.0
71.04982	1.7
73.02891	3.7
74.09695	0.7
79.05493	7.0
81.03399	8.5
81.07040	3.2
85.02896	66.3
87.04456	1.1
91.03928	3.4
91.05441	1.5
93.07022	1.3
95.04955	1.0
97.02874	18.0
99.04437	1.7
103.05461	5.9
105.07018	54.7
106.07352	0.8
109.02868	5.7
109.06470	3.0
109.10122	0.9
113.40010	0.7
115.05391	0.8
116.97671	0.7
116.98498	0.8
117.15544	0.7
121.10126	2.9
122.03608	3.4
123.04455	1.0
124.05180	1.0
127.03918	8.0
127.86063	0.8
131.04939	1.8
133.06474	73.7
135.08025	1.2
137.05963	78.6
139.11148	0.7
145.04942	9.0
149.05943	0.7
150.06842	1.7
153.27101	0.7
163.07507	4.5
165.09087	100.0
180.08633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
53.29146	2.3
54.63536	2.4
55.01854	16.1
55.05503	70.2
56.76624	2.4
57.03420	17.3
57.07059	12.2
67.05497	78.4
69.03409	11.6
69.07056	52.1
70.72894	2.3
71.04960	4.9
71.08609	6.4
79.05476	69.3
81.03417	3.0
81.06599	5.7
81.07040	100.0
83.04970	25.7
83.08600	18.4
85.06529	6.3
91.05463	51.6
93.07023	97.1
95.04944	28.0
95.08587	67.2
97.06499	22.7
97.10159	5.5
99.08052	6.8
103.05439	19.9
105.07020	39.6
107.08578	47.6
109.06478	6.0
109.10149	22.3
111.08037	3.2
117.07011	6.8
117.54349	3.2
119.08564	19.5
121.10139	23.0
123.08025	6.8
125.09586	3.4
126.47753	2.7
129.06985	5.6
131.04927	23.8
131.08565	21.4
133.10109	24.5
135.11665	21.4
137.09578	5.1
139.11189	28.5
145.10066	4.1
147.08006	3.1
147.11690	17.6
149.13217	17.5
151.11165	5.2
157.10104	3.6
159.11649	6.7
161.13222	11.5
165.12724	4.1
166.26636	2.9
171.11580	3.3
173.13225	3.0
175.11224	3.6
175.14825	4.1
177.12573	3.7
195.13676	5.5
249.43115	2.7
259.20572	5.8
277.21655	41.9
291.23178	10.8
299.05264	2.7
309.24316	12.8
344.22754	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81488	0.3
61.02903	0.4
65.03928	0.2
65.72237	0.2
69.03410	1.2
69.86902	0.2
79.00043	0.2
81.03389	0.5
85.02887	3.2
91.03922	0.4
91.05460	5.2
97.02873	0.8
100.37945	0.2
106.85907	0.2
109.02830	0.3
117.45434	0.2
119.04913	22.3
123.04415	0.5
147.04384	100.0
151.03912	0.8
152.31999	0.2
165.05432	28.8
191.70950	0.2
224.26791	0.2
308.36334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40261	1.4
55.05510	22.8
57.03429	14.4
58.99573	20.6
59.66030	1.4
61.00869	1.4
61.01133	14.5
61.02915	3.8
68.40436	1.5
69.03420	2.0
70.06593	1.7
71.04954	1.9
71.05551	1.8
72.08160	1.8
73.02907	17.5
73.06537	15.1
77.00605	7.1
79.05476	12.7
81.39914	1.7
85.02872	10.8
86.99036	31.1
87.02669	9.8
89.00598	26.5
91.05470	4.5
92.64083	2.2
93.07036	2.8
95.04931	2.3
97.02856	3.7
98.97497	2.6
99.04457	2.4
99.08110	1.5
101.05984	2.0
105.00074	42.4
105.03733	9.1
105.07008	19.7
106.95692	1.7
113.04226	22.4
115.05387	3.1
117.07011	10.0
117.09161	2.6
119.08559	11.6
121.06499	2.9
123.01088	3.1
125.17644	1.7
128.06184	2.3
129.06978	7.0
130.06511	4.5
130.07750	1.9
131.00676	1.9
131.05260	36.7
131.08510	11.0
133.10088	7.3
137.05983	3.1
142.07745	7.2
143.08548	22.2
145.06438	3.2
145.10098	38.2
147.08005	7.5
147.11681	3.4
155.08562	7.8
157.06432	3.0
157.10143	2.9
158.07260	1.9
159.08002	9.2
161.05975	2.0
161.09599	20.4
163.07501	2.4
164.01608	12.3
165.09094	2.5
169.06442	2.2
171.08022	7.5
173.09615	12.6
175.07539	6.8
175.11148	2.3
177.05783	70.1
177.09077	7.6
181.04817	2.1
182.02589	2.1
182.04973	3.0
182.11649	3.0
187.07443	2.7
189.09053	30.5
195.06841	55.0
199.07469	3.5
201.09085	10.6
203.07011	2.8
207.10103	6.9
213.31558	1.8
217.08574	12.2
219.10127	7.1
223.08749	1.6
235.09624	3.6
237.02899	1.7
245.07985	10.5
263.09158	7.8
269.78064	2.0
273.07419	2.3
281.10269	8.6
291.08508	15.3
299.98578	1.7
309.09598	41.6
327.10675	100.0
344.13687	2.4
344.17480	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	344.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.09273	0.4
55.01861	0.6
57.03417	0.9
61.02901	1.9
69.03414	4.9
71.04965	0.4
73.02905	0.8
79.05478	0.5
81.03387	1.5
83.04941	0.4
85.02888	18.1
87.04456	0.5
91.05458	0.6
95.04932	0.6
97.02881	5.5
99.04410	0.6
100.02224	0.4
105.03378	1.8
107.04939	100.0
109.02867	2.1
120.83585	0.4
127.03894	2.1
131.08507	0.4
137.05940	0.9
145.04936	1.5
161.05927	0.5
163.72923	0.4
165.09068	10.7
180.08636	1.7
182.11787	0.6
228.82451	0.4
243.18785	0.5
270.57874	0.4
327.31473	0.4
333.82489	0.5
344.17297	2.1
348.89462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
57.03425	1.4
61.02902	1.4
69.03423	4.1
70.73086	0.3
72.75798	0.3
81.03388	1.6
81.37290	0.3
83.01299	0.5
85.02895	18.7
91.03934	0.5
91.05455	5.2
92.63780	0.3
95.04929	0.3
95.68575	0.3
97.02874	3.8
99.04453	0.5
102.05850	0.3
109.02873	1.4
119.04925	22.2
123.04393	2.2
127.03885	2.8
144.63312	0.4
145.04947	2.2
147.04395	100.0
165.05449	27.2
175.30057	0.3
180.08615	0.5
182.08046	0.4
196.83717	0.4
198.19131	0.3
250.17595	0.4
344.13556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92123	1.9
54.81279	2.0
55.05482	2.0
57.03412	10.6
67.98634	1.9
69.03419	4.5
71.04983	18.3
73.02879	2.8
73.06545	2.1
76.55460	2.3
79.03452	2.1
85.02895	31.1
86.99018	2.4
91.05440	10.7
92.08771	3.0
97.02892	3.2
99.04443	2.7
103.05444	3.9
105.00074	3.5
105.07019	19.4
105.93755	2.5
109.40109	2.6
115.05424	3.4
117.06981	12.5
119.04909	3.1
119.08543	5.3
121.06499	5.3
127.03839	2.5
128.06197	9.2
129.05428	5.5
129.06976	12.7
130.06544	2.8
131.04959	3.3
131.08534	20.2
133.06461	4.8
133.10109	8.8
134.04581	5.2
135.08054	3.9
141.06938	10.5
142.07773	15.0
143.08534	22.4
145.06453	4.7
145.10112	23.3
147.04355	13.6
147.06424	3.3
147.08046	8.7
149.05957	3.2
155.08533	19.5
157.06473	5.0
157.10136	10.0
158.07353	4.4
159.08063	19.8
161.06024	7.9
161.09592	12.5
163.07501	9.3
165.02287	3.8
165.09177	3.0
169.06451	3.9
171.08005	11.6
173.09586	26.4
175.03841	16.4
175.07542	9.4
176.83498	2.7
177.05650	9.8
177.09082	2.5
182.04941	73.7
183.07973	23.2
185.05847	3.1
187.07446	33.0
189.05389	4.3
189.09050	20.1
191.07190	2.3
191.10742	3.4
193.04881	4.1
194.04858	3.1
199.07588	18.8
201.09105	53.2
203.03369	9.5
203.06998	9.8
207.03275	2.9
207.10150	2.3
215.06998	22.5
217.08569	44.6
219.10133	10.6
224.05983	3.7
227.06981	13.6
229.08582	34.2
231.06473	10.4
235.09602	18.3
243.06482	15.2
245.08020	90.6
249.07445	10.2
255.06520	3.9
261.07703	2.7
263.09109	66.7
264.05530	2.3
273.07471	8.6
281.10165	14.2
291.08633	22.8
309.09598	100.0
327.07004	4.6
327.10672	81.2
344.09833	18.1
344.13403	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.81934	0.5
55.01855	0.5
55.05263	0.7
55.05505	11.1
57.03420	0.9
57.06323	0.4
57.07064	5.2
59.04989	0.6
64.96031	0.5
65.03914	0.7
67.05151	1.0
67.05492	21.1
69.07054	18.3
71.04974	0.8
71.08598	1.1
74.71578	0.5
79.05473	17.4
81.07039	100.0
83.04962	4.0
83.08601	4.2
85.06522	3.8
88.04456	0.5
91.05459	9.2
92.09312	1.2
93.07030	24.2
95.04926	3.3
95.08584	50.0
97.06510	1.3
97.10121	2.0
97.21939	0.5
99.08064	0.9
105.07018	14.8
107.08576	17.8
109.06516	3.8
109.10143	26.6
111.08061	1.3
111.11718	1.1
117.07001	2.1
119.08562	11.4
121.06480	0.9
121.10118	10.8
123.08055	0.8
123.11689	4.2
125.09536	0.5
126.44601	0.7
127.07531	1.1
131.08553	4.3
133.10071	6.0
135.11670	12.7
137.09570	1.3
137.13217	13.4
145.01155	0.5
145.10126	4.9
147.11670	6.6
149.13234	2.8
153.12744	0.8
155.14296	2.4
159.11693	2.4
161.13205	1.2
163.11201	0.7
163.14784	2.2
165.12686	1.3
169.99570	0.6
173.15361	1.2
175.14818	0.8
181.04984	1.1
199.20325	0.6
214.20200	0.6
271.24072	2.5
289.25275	4.0
307.26254	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.33886	0.5
55.01856	1.1
57.03424	3.1
61.02919	5.7
66.44338	0.7
69.03418	10.8
71.04964	0.7
72.08131	5.5
73.02898	1.3
75.09351	0.6
79.05466	1.1
81.03380	5.5
85.02892	31.1
86.09695	8.3
87.04452	1.4
91.03945	0.7
91.05474	5.8
92.09337	1.3
93.07015	1.2
95.04913	0.9
97.02867	12.7
99.04445	1.5
103.05444	1.7
105.03365	2.7
105.07071	0.7
106.06544	0.7
109.02859	3.5
117.06966	1.1
118.06524	100.0
121.06506	1.6
127.03902	3.8
129.07016	0.8
131.04913	7.1
134.05983	1.7
136.07571	0.9
137.05963	14.4
143.08591	0.7
145.04924	2.7
146.05992	17.7
147.08028	3.4
151.07524	4.5
162.06851	1.0
163.07501	5.5
164.07037	45.2
175.07445	0.7
177.09074	21.3
182.08095	49.5
182.11699	1.6
182.88832	0.6
185.16457	0.9
186.08023	0.7
186.81354	0.6
195.10112	0.8
217.15811	0.8
221.11873	0.7
251.61189	0.7
308.11591	0.7
344.13281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
57.03436	0.4
60.09777	0.3
61.02918	0.3
64.32834	0.3
65.03928	0.6
69.03401	1.5
73.02887	0.3
81.03399	0.5
85.02885	3.9
91.05471	6.2
97.02847	1.2
119.04926	24.3
123.04415	1.3
147.04393	100.0
163.39301	0.4
165.05443	25.0
174.90274	0.3
201.72984	0.3
229.07684	0.3
259.34891	0.3
278.05826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2241
Annotation	E-64d
Peak:m/z	Relative Intensity
55.53543	0.4
62.59113	0.4
66.39904	0.4
92.09359	0.9
103.83260	0.4
134.19337	0.4
140.62590	0.4
143.64705	0.5
148.00151	0.4
313.97522	0.5
325.21399	2.1
343.22369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85112	0.5
58.78357	0.6
59.97564	0.7
66.50378	0.6
69.07043	0.7
73.07990	0.5
75.73829	0.5
81.07043	1.0
85.58725	0.6
91.05451	0.7
93.07034	1.6
98.16365	0.6
105.07037	1.2
107.08598	0.9
136.97243	0.6
145.10120	0.7
325.21387	3.7
343.22412	100.0
344.22830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1903
Annotation	(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Peak:m/z	Relative Intensity
53.03930	4.7
55.01860	4.5
55.05499	5.4
57.03411	3.8
62.16026	2.4
67.05490	13.1
69.03410	30.1
69.07045	4.6
71.04993	2.8
79.05473	55.7
81.07037	23.1
91.05464	62.3
92.63884	2.7
93.07028	100.0
95.04946	15.7
95.08612	19.6
97.06525	4.8
103.05455	22.9
105.03384	11.1
105.04496	2.7
105.07014	79.3
107.04938	11.5
107.08592	37.7
108.05708	4.5
109.02872	3.7
109.06518	14.8
109.10137	5.2
115.05440	4.9
115.07080	2.7
116.06213	4.3
117.07008	11.7
118.04146	38.2
119.04932	5.3
119.08557	15.3
120.05695	15.6
121.06486	17.3
121.10138	88.0
123.08059	24.5
124.05206	17.2
129.06979	5.5
131.04918	6.7
131.08546	21.4
133.06499	63.8
133.10081	6.2
134.07228	6.8
135.04344	5.1
135.08028	17.9
135.11659	6.1
137.05939	12.6
145.10124	5.7
146.03561	3.1
147.04387	22.5
147.08031	3.3
147.11665	3.4
148.05247	6.0
149.05901	4.6
149.09605	22.1
150.06750	22.8
151.07489	6.6
157.10066	3.3
161.05937	12.3
163.07520	6.7
165.05440	17.2
165.06862	2.9
165.09108	21.9
175.07646	3.4
175.11154	2.6
177.09186	3.6
178.06055	2.9
178.37666	3.3
180.07794	92.5
193.08563	82.3
195.10139	23.1
213.11211	3.2
329.43732	2.9
343.18884	6.3
343.22382	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	343.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46432	0.2
63.02374	0.3
67.31870	0.2
71.61616	0.2
74.93077	0.2
77.01369	0.3
79.05469	1.2
85.02888	0.6
89.03898	6.7
91.05452	3.0
95.04945	0.3
97.02853	0.3
98.97528	0.5
107.04938	3.9
111.04401	0.3
117.03371	9.3
117.09133	0.3
119.04914	6.9
130.06516	0.4
131.04886	0.4
132.49231	0.3
135.04404	25.7
135.08179	0.3
139.03966	0.3
145.01695	0.6
145.02844	19.0
147.04401	14.6
147.05586	0.5
163.03882	100.0
176.07097	0.3
180.82304	0.3
181.04932	17.8
186.50812	0.3
193.84242	0.2
245.98076	0.3
343.13593	2.2
343.17252	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.102
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.33716	0.2
59.80579	0.2
63.02340	0.3
70.81833	0.2
72.48446	0.2
78.14573	0.2
79.05453	0.6
84.42784	0.2
85.02866	0.5
89.03381	0.3
89.03897	7.2
91.05450	4.2
95.04911	0.4
101.56640	0.2
107.04938	3.9
117.03358	10.1
119.04912	7.5
135.04387	26.4
136.76399	0.2
145.01669	0.6
145.02818	18.6
147.03178	0.4
147.04382	20.3
163.03864	100.0
178.30537	0.3
181.04912	18.4
343.17224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1232
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.03930	1.6
55.01868	18.0
55.05469	1.0
57.03429	16.1
58.34650	0.8
59.51117	0.9
60.25866	0.9
61.02909	10.3
69.03416	45.4
71.04976	4.3
72.08124	10.2
73.02901	8.5
73.08453	1.6
75.56503	1.0
79.25640	1.0
79.84741	1.0
81.03397	8.7
85.02890	100.0
91.03940	3.8
97.02254	2.0
97.02869	36.6
99.04441	10.1
101.02351	10.5
109.02868	7.4
115.03868	2.0
118.08620	3.6
127.03896	64.1
145.04933	28.8
163.05949	8.1
172.28876	1.0
211.06296	2.0
247.97636	1.0
282.45471	1.1
329.31326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	55.3
57.07067	35.9
67.05502	19.5
69.07058	100.0
71.04977	2.1
71.08621	24.6
72.59396	1.3
73.06542	1.6
79.05483	10.9
79.34207	1.2
81.07043	47.3
83.04973	2.9
83.08607	64.3
83.09092	2.4
85.06545	10.1
85.10173	11.7
91.05466	7.2
93.07033	16.9
95.08587	46.8
97.06535	10.6
97.10151	39.9
101.06018	1.9
105.07007	14.6
107.08582	20.4
109.06510	5.3
109.10144	27.1
111.08083	5.5
111.11693	15.4
113.53097	1.4
115.07554	5.4
119.08582	12.8
121.10124	12.6
123.08064	5.8
123.11662	12.6
125.09625	3.2
125.13240	6.2
127.07514	2.4
129.09036	1.6
131.08522	2.1
133.10106	14.5
135.11670	12.1
137.09592	2.1
137.13235	5.3
139.11192	1.6
145.40132	1.2
147.11685	11.6
149.13231	5.6
151.11191	6.5
153.12682	1.5
161.13239	11.3
163.14825	3.1
165.12750	6.2
167.14299	2.1
175.14821	5.2
177.16486	1.8
179.14310	5.8
183.14119	1.3
186.03616	1.2
193.15778	1.9
197.15364	2.4
203.17953	1.5
263.27246	2.5
287.27271	6.7
305.28186	2.8
323.29068	1.6
341.26410	2.7
341.30380	2.1
346.81982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63678	0.4
53.03922	1.0
54.82292	0.5
55.05489	0.8
57.03401	0.8
59.04719	0.8
59.04992	15.5
61.02899	1.1
67.05514	0.7
69.03410	5.6
70.06601	0.8
71.04972	0.9
73.02891	0.8
75.04456	0.7
76.83205	0.4
79.05474	0.6
81.03395	2.8
81.07043	4.9
83.04945	0.9
83.06052	0.5
85.02879	4.4
85.06130	0.6
85.06531	8.8
91.05447	0.9
93.07011	3.1
95.04913	0.9
97.02875	2.1
99.08088	5.2
101.05994	14.7
103.03917	0.7
103.05455	1.3
109.02853	0.7
109.06492	3.2
110.07154	3.6
116.98591	0.9
118.51447	0.5
120.13292	0.5
121.06483	38.3
127.03905	1.2
127.07542	11.7
129.82841	0.5
138.09119	2.8
139.03941	0.9
145.08609	5.9
163.08546	0.6
163.09642	7.0
180.06287	100.0
181.04820	0.8
209.12582	0.5
210.13434	0.8
314.59668	0.5
342.11523	34.3
342.15207	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04364	0.7
51.67148	0.8
53.03934	0.6
55.01866	0.9
56.96557	0.8
57.03431	12.8
59.04992	1.0
59.25418	0.6
60.55486	0.7
61.02898	4.7
69.03416	8.1
71.04976	7.8
71.08593	3.6
79.05463	0.9
79.58165	0.8
81.03385	1.8
81.07033	7.6
85.02889	29.0
85.06524	4.7
97.02866	7.5
99.04453	0.9
99.08073	24.3
105.06996	1.2
109.02847	1.5
109.06512	6.6
109.18862	0.8
117.09113	100.0
121.06445	1.5
127.03869	3.0
127.07515	6.5
127.11162	8.1
129.17474	0.9
145.04977	1.4
147.04356	1.9
154.41327	0.8
158.07291	0.7
159.53824	0.8
163.09631	14.6
174.44270	0.8
275.31638	0.9
276.63348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
54.31219	0.8
55.05507	18.6
57.03412	3.7
57.07069	35.9
59.04985	1.5
61.02905	5.6
64.07272	0.8
69.03421	8.4
73.02904	1.2
76.55600	1.0
78.17867	0.9
81.03400	5.7
83.08595	6.3
85.02894	38.6
89.06016	63.2
91.03908	2.0
92.08735	1.1
97.02866	10.1
99.04427	1.5
101.09647	28.8
107.07059	45.1
109.02869	1.8
125.98219	1.0
127.03889	5.1
145.04953	3.8
163.13266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.0
53.90701	0.2
55.05505	0.4
56.76544	0.2
57.07068	12.6
58.06599	1.9
62.06081	4.2
62.23628	0.2
63.77620	0.2
67.05489	0.2
69.07028	0.5
71.08253	0.3
71.08618	6.6
72.08129	1.4
79.90588	0.2
85.07391	0.2
85.10171	0.5
91.05460	0.4
93.07016	1.2
95.08566	0.3
105.07020	0.4
107.08566	0.3
109.10178	0.3
118.03342	0.2
119.08591	0.2
131.08502	0.4
133.10133	0.2
136.47964	0.2
144.24454	0.2
156.17490	2.7
174.18500	6.0
201.52176	0.2
202.21715	0.5
212.23727	1.5
217.54901	0.2
230.24727	5.1
324.36191	1.2
342.37250	100.0
343.22739	1.5
343.26404	0.3
364.48434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.6
55.30563	8.1
56.96556	45.6
67.05492	21.3
69.03413	13.0
69.07063	20.4
71.04971	20.2
74.09692	8.5
79.05489	42.2
81.07043	57.2
83.08598	9.9
91.05457	41.3
93.07037	63.3
95.04947	17.2
95.08582	68.0
98.97554	39.1
105.07035	43.4
107.08575	50.3
109.10166	23.2
111.98908	9.3
116.98601	15.7
119.08582	39.8
121.10099	37.3
123.08141	10.5
129.06949	12.3
131.04924	9.6
131.08566	10.1
133.06540	11.0
133.10088	13.1
134.99709	10.4
135.04407	38.9
137.05988	12.7
145.01817	9.1
145.10098	8.9
147.11710	10.0
157.10182	11.9
161.05978	9.8
173.01973	12.9
341.13446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	6.9
58.82455	4.5
59.04975	4.3
67.05498	8.9
69.07043	7.1
69.60654	4.1
79.05469	8.9
81.03397	21.9
81.07024	30.5
81.62605	4.2
91.05466	21.8
91.46604	4.5
92.72103	4.3
93.07012	36.2
95.04963	5.3
95.08576	24.9
98.97574	10.5
105.06992	30.7
107.08598	9.9
109.06506	6.8
109.10152	5.2
119.08541	8.3
121.10126	5.8
121.98370	4.7
123.15971	4.8
131.08551	7.2
133.10115	24.2
135.11705	5.8
149.09654	6.1
185.09584	4.9
223.21370	4.8
269.12146	11.7
301.69791	4.9
341.13501	100.0
341.16855	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	341.2098
Annotation	Microferin
Peak:m/z	Relative Intensity
52.40223	0.8
53.03940	1.1
55.05489	4.4
57.07067	1.2
64.50059	0.9
67.05495	8.4
69.07063	7.3
71.04978	6.5
77.48483	1.1
79.05473	8.1
81.07047	13.9
83.04963	2.4
83.08609	1.7
87.65161	1.1
91.05453	9.1
92.09318	2.3
93.07027	21.7
94.07331	1.1
94.84032	0.8
94.93580	1.0
95.04956	5.9
95.08582	9.9
99.72907	0.9
102.30812	0.9
103.05434	2.0
104.46953	0.9
105.03376	29.1
105.07017	14.4
107.08575	11.0
109.10152	11.9
117.07007	1.4
119.08553	11.3
121.06499	1.0
121.10122	10.7
125.09606	16.8
127.11204	1.2
131.04897	4.7
131.08575	4.4
133.10141	8.7
135.11716	2.6
143.08574	1.5
145.10078	8.0
147.11681	5.4
155.89554	1.1
159.11703	5.6
164.02086	1.2
167.35339	1.0
169.01317	4.2
173.13223	1.3
191.17926	1.1
192.81770	1.2
201.16347	1.7
219.17445	5.5
243.79903	1.1
341.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2096
Annotation	Microferin
Peak:m/z	Relative Intensity
50.13594	1.0
50.44110	0.9
53.03934	1.7
55.05487	4.4
57.07049	1.4
62.90686	1.2
67.05487	8.3
69.07043	2.6
71.04980	8.2
79.05462	6.6
81.07039	13.1
83.04961	1.3
89.30679	1.1
91.05460	6.8
92.08658	2.2
93.07012	21.5
95.04930	6.1
95.08578	10.6
102.57732	1.4
103.05455	1.6
105.03370	25.7
105.07006	17.2
107.08561	13.1
109.06489	2.0
109.10115	14.8
111.08195	1.1
119.08574	10.6
121.10108	11.2
125.09588	19.2
131.04890	2.5
131.08514	6.0
133.10057	8.0
135.11667	2.7
145.10104	7.7
147.11684	4.5
159.11729	4.5
164.02037	2.6
169.01318	2.5
179.89632	1.3
201.16376	2.1
219.17491	5.8
341.20804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.05760	0.6
53.39135	0.5
55.05509	6.2
57.07061	2.9
57.86244	0.6
59.04977	1.3
67.05495	8.1
69.07059	10.8
71.04984	4.6
71.97806	0.7
74.44122	0.7
79.05476	40.5
79.73930	0.6
81.07038	15.0
83.04966	1.0
83.08602	4.2
91.05458	16.5
93.07027	88.3
95.04964	5.6
95.08586	9.8
97.06505	4.6
105.07021	10.7
107.08585	68.1
109.06503	2.7
109.10138	7.9
111.08089	0.8
117.06988	2.6
119.08546	5.9
121.10136	3.4
123.11684	1.6
129.06964	1.2
131.04950	0.9
131.08601	2.9
133.10104	14.0
135.11674	100.0
143.08627	2.0
145.10107	1.5
147.11728	1.1
149.13275	0.8
151.11185	0.7
153.12723	8.3
159.11646	1.1
171.11601	1.1
185.13214	1.4
189.16344	1.0
201.16362	0.6
213.16429	1.0
224.68242	0.6
227.17886	0.7
269.22638	5.6
280.53745	0.7
287.23541	4.0
357.78970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89864	0.7
53.03936	2.0
55.01861	4.9
55.59240	0.8
57.03420	6.1
58.44317	0.8
61.02910	1.2
67.72772	1.0
69.03416	26.5
71.01326	1.4
71.04971	7.9
71.13304	0.9
73.02905	3.5
75.05167	0.9
79.05482	1.6
81.03403	24.1
83.04987	1.0
89.45515	1.1
97.02882	2.2
97.13334	0.9
99.04444	5.1
106.06540	4.9
109.16266	0.9
118.06503	1.4
125.09591	1.3
133.07617	12.3
134.05980	1.2
135.09171	1.8
137.57654	1.0
143.10645	1.7
145.07581	4.9
146.08429	3.8
147.09148	4.4
161.07066	90.7
163.08649	11.8
173.07088	16.5
173.08516	1.4
175.08649	5.1
187.08614	1.1
189.05037	1.6
189.06543	40.0
191.08113	37.0
201.10155	1.1
203.08134	5.4
207.07617	75.9
217.09731	1.2
259.10812	3.8
277.11862	4.7
287.10187	2.3
295.12836	13.7
305.11292	13.5
323.12311	100.0
341.13187	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	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05507	8.8
55.65799	0.8
57.07064	8.0
59.04983	1.3
65.03913	1.6
67.05494	26.2
69.06717	1.7
69.07054	31.7
71.04988	1.2
79.05473	58.1
81.07040	27.0
83.04969	1.7
83.08595	7.8
91.05456	21.7
93.07026	100.0
95.04950	9.8
95.08578	9.2
97.06506	12.0
105.04500	1.2
105.07022	25.7
107.08578	74.4
109.06490	2.2
109.10139	11.5
111.08058	1.5
117.06964	5.5
119.08556	8.2
121.10110	6.6
123.11671	5.1
125.13248	1.5
129.06990	4.6
131.08519	5.0
133.10103	52.5
135.11665	71.6
136.06169	2.1
143.08559	2.0
145.10077	1.2
147.11623	1.1
149.13214	7.1
151.11082	1.3
153.12732	2.2
159.11665	4.0
167.43033	1.2
171.11736	4.0
173.13283	1.4
185.13217	2.5
199.14722	1.4
213.16261	2.1
269.22690	7.6
287.23569	6.5
340.15924	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49239	1.1
53.03947	2.3
55.05502	13.0
57.07066	11.3
59.04996	2.8
59.40503	1.0
63.63162	1.1
67.05493	28.4
69.07054	33.7
79.05474	63.8
81.07039	20.7
82.36319	1.2
83.04966	1.3
83.08617	10.5
91.05463	24.1
93.07023	100.0
95.04954	8.6
95.08591	13.2
97.06520	11.9
100.63877	1.2
105.07022	24.2
107.08582	84.7
109.06509	2.5
109.10152	29.1
117.06953	4.5
119.08547	9.2
121.10125	2.9
123.11694	2.9
129.06978	2.6
131.08543	2.6
133.10104	41.0
135.11674	82.6
136.61420	1.3
143.08519	1.6
149.13252	5.4
153.12761	8.7
160.07600	1.6
171.11713	2.4
185.13307	1.9
213.16415	2.4
227.17941	1.5
261.86310	1.3
269.22537	3.0
287.23657	8.0
330.91064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05507	12.9
57.07072	8.1
59.00329	0.7
59.04970	0.8
61.30978	0.7
62.53677	0.7
67.05491	8.7
69.07056	36.2
71.04972	3.5
72.75387	0.7
73.44676	0.9
74.09267	0.7
79.05476	68.8
81.07036	10.5
83.04964	3.6
83.08596	19.7
85.06513	0.8
91.05468	11.0
91.23443	0.8
92.11856	0.8
93.07024	80.2
95.04962	5.7
95.08573	9.4
97.02896	0.8
97.06512	18.2
97.10144	0.8
98.04172	0.7
105.07015	6.4
107.08579	69.5
109.06499	1.1
109.10141	10.7
111.04392	1.2
111.08007	1.0
117.07004	1.4
119.08566	3.5
121.10133	1.5
123.11658	1.3
125.09643	1.0
125.13251	4.5
129.07007	1.1
131.08574	1.2
133.10114	5.0
135.08109	1.1
135.11673	100.0
145.10100	1.4
153.09137	1.3
153.12732	13.5
157.10027	0.9
159.11703	1.5
171.11731	0.8
179.62404	1.0
199.14690	1.4
201.16411	0.9
231.58928	0.8
269.22485	1.0
335.87180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31010	0.5
53.03934	2.2
54.60136	0.6
55.01854	0.8
55.05506	8.6
55.45459	0.5
57.03428	1.3
57.07070	8.4
59.04996	0.7
65.03931	0.6
67.05491	24.4
67.65210	0.5
69.07055	38.6
71.04967	0.8
73.17002	0.6
79.05476	59.4
81.07040	24.5
83.04984	1.0
83.08612	8.6
91.05461	19.6
93.07024	100.0
95.04958	4.7
95.08597	7.8
97.06498	10.3
97.10127	0.8
105.04488	0.9
105.07017	27.1
105.29235	0.6
107.08576	80.0
109.06546	2.2
109.10131	11.2
115.05416	0.8
117.06995	5.1
118.07778	0.7
119.08560	3.4
121.10102	4.9
123.11684	5.5
125.13236	1.0
129.07036	5.3
131.08553	5.1
133.10104	53.2
135.11670	72.3
137.13234	0.7
138.78090	0.6
143.08551	2.5
145.10115	2.7
147.11644	1.2
149.13226	5.0
151.11201	0.9
153.12717	6.0
156.65796	0.7
157.10143	2.6
159.11693	2.7
161.13138	0.9
163.11154	0.6
169.10201	0.8
171.11696	3.5
173.13239	0.8
185.13269	3.9
187.14749	0.8
199.14842	1.0
213.16374	5.2
227.17982	1.2
257.22702	0.8
269.22540	6.7
287.23651	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	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.7
53.03926	2.7
55.01858	0.7
55.05504	8.4
56.64236	0.5
57.03424	1.7
57.07065	9.1
59.04970	0.6
67.05499	13.4
67.63773	0.6
67.81259	0.6
69.07054	35.1
77.45152	0.6
79.05474	75.8
81.07040	13.4
83.04958	3.3
83.08608	9.1
91.05469	10.7
91.41512	0.7
92.09325	0.6
93.07024	90.0
94.43366	0.7
95.04947	6.4
95.08598	6.9
97.06510	17.4
97.10120	0.8
105.04534	0.7
105.07011	7.6
107.08578	85.1
109.06443	1.0
109.10144	10.4
117.07001	1.2
119.08554	3.2
121.10134	1.6
123.11692	1.1
125.13255	3.0
127.19878	0.7
129.06984	1.2
131.08559	1.1
133.10103	5.2
135.11673	100.0
136.12041	0.9
143.08551	1.2
149.02348	0.9
153.12721	14.0
157.10023	0.8
159.11600	1.3
171.11679	2.8
185.13194	1.0
213.16469	1.2
229.92776	0.7
269.22580	2.6
287.23572	1.3
339.77936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01864	1.3
55.05502	5.1
56.96552	0.7
57.07075	0.6
59.04992	1.1
59.67340	0.4
61.78241	0.4
65.03932	0.6
67.05492	7.1
69.03403	0.8
69.07064	4.2
76.02099	0.5
77.03886	0.5
79.05481	30.1
81.07040	9.9
82.07381	1.0
83.04959	2.3
83.08623	1.2
91.05473	11.3
93.07032	50.7
93.24477	0.5
94.07355	2.1
95.04958	4.0
95.08596	6.3
97.06521	2.5
97.10130	0.6
105.07024	10.8
106.07332	1.0
107.08586	100.0
108.08913	4.1
108.14157	0.6
109.06516	5.2
109.10177	3.7
111.04466	0.8
111.08051	0.8
117.07048	0.7
119.06047	1.1
119.08568	4.7
120.08965	0.6
121.10137	0.9
122.83344	0.6
123.08041	0.8
125.09612	10.7
131.08537	0.9
132.08913	1.1
133.10091	2.9
135.08049	2.8
135.11679	59.7
139.07526	2.2
143.08554	1.0
144.08711	0.6
145.10098	1.1
153.09109	12.1
153.12814	0.7
154.43993	0.6
171.10129	2.5
171.11560	0.8
172.11980	0.7
195.13770	0.9
196.12125	0.5
340.31982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05507	6.4
57.07071	4.8
59.04987	0.6
67.05490	7.7
69.07058	24.0
71.04977	2.8
71.93046	0.6
77.03907	0.9
79.05475	56.2
81.07034	13.0
83.04970	0.8
83.08604	5.3
85.78302	0.5
91.05463	11.3
93.07024	88.5
95.04935	3.9
95.08563	4.4
97.06502	8.4
105.04521	1.1
105.07005	6.1
107.08578	64.6
109.06393	0.9
109.10143	7.9
117.06985	1.5
118.56117	0.6
119.06071	0.8
119.08574	3.4
121.10072	1.4
123.11682	1.3
125.13243	1.5
129.06982	0.8
131.08606	1.2
133.10118	8.5
135.11673	100.0
137.13257	0.8
145.10114	0.6
147.11644	1.0
153.12729	11.3
157.10072	1.0
171.11649	1.1
173.13205	0.9
185.13327	1.0
197.22745	0.7
213.16447	0.7
269.22568	1.0
274.74506	0.6
287.23621	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	340.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
55.05503	8.4
55.18729	1.2
56.96550	1.9
57.03422	7.9
57.07057	2.6
59.04980	1.6
61.02901	5.6
67.05489	2.0
67.61471	1.2
69.03413	13.6
69.07064	2.0
71.04971	41.8
73.02902	6.9
73.06541	6.3
79.05472	3.5
81.03407	3.0
81.07036	30.9
81.07476	2.0
83.04971	10.2
83.08606	7.7
85.02885	17.5
85.06535	25.5
87.04454	6.6
91.05465	8.9
92.05795	2.7
94.22260	1.5
95.08581	2.4
97.02869	6.6
97.06550	2.4
97.10139	15.2
99.08053	2.6
105.06976	1.4
107.08573	39.9
109.06532	2.0
115.07554	6.3
119.04900	9.5
120.05268	11.7
123.04433	6.8
125.09605	70.4
127.07513	11.6
127.75612	1.4
137.09570	1.7
143.10649	100.0
145.08588	13.2
147.04395	19.5
148.02870	1.5
148.04741	26.2
160.07536	3.5
163.03899	1.7
173.08055	14.4
179.03372	25.8
191.09081	6.1
305.15845	5.9
306.53210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.9
55.01859	5.6
55.05503	60.3
57.03420	1.6
59.04978	1.3
61.02901	1.3
67.05492	5.3
69.03407	9.6
69.07051	8.3
79.05460	4.8
81.07040	11.2
81.38113	0.8
82.07349	1.1
82.81885	0.8
83.04964	1.4
83.08600	40.0
85.02882	15.3
97.02872	2.2
97.10146	90.9
98.97594	1.1
107.08564	12.1
109.02840	1.1
125.09600	100.0
143.10648	93.3
147.04294	1.7
148.04819	1.2
161.08133	1.1
161.11716	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	340.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01860	2.1
55.05506	3.2
57.07055	0.7
57.90174	0.3
59.04989	0.7
60.15183	0.4
63.91713	0.3
65.03896	0.6
67.05499	4.5
69.03417	0.5
69.07052	3.5
79.05477	28.3
81.07038	5.0
83.04961	0.6
83.08596	2.2
91.05460	11.7
93.07024	45.1
95.04930	2.9
95.08604	0.8
97.06524	1.4
97.10174	0.6
102.46451	0.3
105.07013	6.1
107.08576	100.0
109.06499	4.3
109.10133	2.6
111.04427	0.5
111.08040	1.5
117.06996	0.8
119.06068	0.5
119.08556	3.3
121.10130	0.8
125.09595	9.6
131.08517	0.5
133.10114	1.5
135.08029	2.9
135.11668	61.2
137.09584	0.4
145.10133	1.5
153.09085	13.5
171.10168	2.5
340.16013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.07089	0.1
53.03923	0.6
53.55814	0.1
55.01861	0.3
55.05506	1.7
57.03415	0.9
61.02915	1.6
62.88004	0.1
63.65709	0.1
65.10209	0.1
67.05506	0.2
67.73503	0.1
69.03072	0.2
69.03420	3.8
69.07061	0.3
71.04976	0.3
73.02906	0.3
75.42978	0.1
79.05472	0.3
81.03392	1.6
81.07022	0.4
83.08603	0.8
85.02895	7.3
87.04431	0.3
91.03925	0.3
94.06555	0.2
95.04974	0.2
97.02868	2.7
97.10158	3.0
99.04430	0.2
104.04972	1.0
107.08584	0.3
109.02872	0.6
117.17719	0.1
119.04967	0.2
122.05965	0.8
125.09612	2.5
127.03902	1.1
132.04427	7.1
143.10655	3.1
145.04988	0.3
147.04382	0.3
148.04703	0.3
160.03853	0.2
161.11693	0.8
178.04965	100.0
179.05270	0.2
340.10229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81700	0.3
55.05487	1.2
56.04157	0.2
56.96554	0.3
57.07056	0.2
67.05494	0.6
69.03411	0.6
70.06548	0.4
71.04956	1.2
73.02879	0.3
73.06539	0.3
79.05480	0.4
81.07033	0.7
83.08581	0.3
85.02876	3.2
91.05429	0.4
95.08590	0.4
97.02852	0.6
105.07022	0.6
107.08598	0.5
110.05997	0.5
110.07215	0.4
111.72764	0.3
115.05444	3.2
115.07520	0.7
117.05724	2.2
118.06516	50.2
118.94398	0.3
122.05939	0.4
127.03908	1.3
130.06479	0.5
132.04369	0.4
132.08060	33.7
133.06445	0.5
137.05977	0.4
141.09065	0.6
142.06531	2.7
142.09444	0.4
143.07082	0.6
143.10641	0.5
146.06010	0.4
147.06435	0.4
147.90788	0.3
148.04729	0.5
159.06773	0.6
160.07545	100.0
161.07887	1.3
163.03836	0.6
178.08591	13.2
257.06851	0.4
340.14117	0.7
340.21176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40093	0.5
55.05504	43.8
57.03436	0.6
59.04993	6.9
61.02888	1.3
63.74389	0.5
69.03404	3.8
69.07046	3.5
71.04977	1.2
79.05465	4.1
81.03387	0.9
81.07046	1.3
83.04964	21.1
85.02887	13.8
87.04410	0.7
88.72128	0.5
91.03969	0.6
97.02873	3.5
97.06507	27.8
101.05994	20.5
103.03260	1.3
103.03921	28.6
107.08595	1.1
109.02903	0.8
113.05938	0.7
115.07526	2.7
118.63273	0.7
120.08043	3.8
125.05969	100.0
125.09602	1.4
143.07018	39.3
143.08133	1.4
145.04916	0.7
148.04829	0.7
161.08057	26.6
163.08734	0.7
246.50641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.81617	1.1
55.01879	1.2
55.05502	9.7
55.05739	1.0
56.96550	4.7
57.03418	2.2
57.07064	4.5
59.05006	1.8
61.02904	1.4
62.12078	1.1
65.03954	1.3
67.05492	42.5
69.03415	2.1
69.07054	4.5
71.04977	90.1
71.08609	1.3
71.99480	1.2
73.06541	5.3
79.05475	7.4
81.03405	1.3
81.07040	100.0
83.04961	1.7
83.08597	2.8
85.02888	13.8
85.06535	17.6
87.04449	1.5
91.05468	2.7
93.07031	2.4
95.04954	1.6
95.08590	14.3
96.08932	1.4
97.02869	2.4
97.06483	1.7
97.10173	1.9
98.97566	4.4
99.08111	4.0
105.07026	1.5
107.08594	1.4
109.06509	2.6
110.06030	4.5
115.07549	1.7
116.98589	4.9
119.04947	4.3
122.06001	6.6
123.11687	26.4
127.03842	1.3
134.99551	1.4
136.07536	4.4
138.05534	1.2
138.96399	1.1
141.09071	6.2
141.12727	70.1
142.09462	2.1
146.06007	1.3
147.04427	8.2
150.05553	1.6
159.09068	2.5
159.10205	2.1
159.13780	29.8
160.10617	1.3
164.07057	5.3
173.07164	1.8
177.14844	24.0
182.08142	2.0
184.40730	1.2
187.08650	2.4
188.07098	2.4
195.03346	2.1
201.06540	2.0
203.08139	1.7
205.09692	1.5
215.08173	10.6
217.09689	2.7
233.09187	1.9
239.11618	1.4
240.32637	1.2
243.07571	12.5
245.09328	1.6
261.08627	5.3
267.11176	1.5
285.12375	1.8
289.08167	6.2
303.13379	2.8
307.09375	2.5
314.22092	1.3
316.65607	1.2
321.10605	2.1
321.14182	4.4
339.11188	1.7
339.14691	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	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40242	1.3
52.11606	1.4
53.03933	2.6
54.82010	1.5
55.01867	3.0
55.05499	15.8
56.96551	3.1
57.03429	2.4
57.07053	2.0
57.21387	1.5
59.04994	3.3
67.05489	22.1
69.03393	1.9
69.07059	11.5
71.04969	7.6
75.04454	8.1
79.05473	48.5
81.06599	3.0
81.07042	63.7
83.04980	22.2
83.08589	3.0
85.06503	2.0
88.99880	1.7
91.05455	37.3
92.09413	1.4
93.07024	66.6
95.04961	13.1
95.08582	32.2
97.06501	15.0
98.97561	14.3
99.08078	3.1
103.05441	2.0
105.07014	68.3
107.07865	3.5
107.08578	100.0
109.06498	15.0
109.10139	10.1
111.04420	3.6
115.05462	2.4
116.06181	2.1
116.98587	18.2
117.07024	17.9
119.08556	28.6
120.11112	1.7
121.06476	11.1
121.10152	11.5
122.10474	2.0
123.08028	17.8
123.11619	3.2
125.09647	2.3
128.06244	2.1
129.06981	10.7
131.08533	37.1
133.10109	12.1
134.99638	12.3
135.08040	8.1
135.11632	6.6
137.09616	3.3
142.07785	8.6
143.08525	24.4
145.10114	17.5
147.08008	3.9
147.11626	3.1
149.09589	2.1
151.11150	1.8
155.08546	8.2
156.09291	7.8
157.10120	7.2
159.11674	10.3
161.09515	2.6
161.13222	3.6
163.14774	3.2
169.08760	2.0
169.10120	8.5
171.11662	20.6
173.13214	14.0
181.10075	2.6
185.13222	2.3
187.14824	7.1
189.12688	2.8
191.14218	15.2
193.04837	1.7
197.13167	2.8
199.14775	2.6
215.14322	2.9
237.14828	2.5
256.96521	1.6
274.97473	15.1
292.98511	10.5
339.27023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.5
55.01878	3.1
55.05516	17.8
56.96551	2.3
57.03430	3.6
57.07065	1.9
59.04994	7.7
64.33187	1.4
65.02364	1.5
67.05495	23.6
69.03397	1.9
69.07055	10.1
71.04988	8.2
75.04461	3.4
79.05481	48.1
81.03400	4.1
81.07045	67.8
83.04976	18.8
83.08640	2.1
83.31854	1.8
91.05469	45.4
93.07027	76.1
95.04955	14.9
95.08591	32.3
97.06525	17.7
98.97568	15.6
99.04408	2.4
99.08070	4.1
103.05446	2.8
103.91086	1.6
105.07027	79.7
107.07865	3.4
107.08589	100.0
108.08881	2.5
109.06513	13.4
109.10145	9.2
111.04420	1.9
111.08092	2.2
114.36237	1.8
115.05482	2.1
116.98595	16.2
117.06995	16.4
119.04922	2.0
119.08571	29.9
121.06496	4.3
121.10107	9.0
123.08074	17.4
123.11713	10.3
128.06227	4.2
129.06987	12.8
131.08575	37.7
133.10141	20.4
134.99664	8.7
135.08086	4.4
135.11699	10.8
137.09706	2.3
141.07022	2.8
142.07787	12.0
143.08539	22.5
144.09315	2.8
145.10115	22.7
147.08022	3.3
147.11732	2.8
151.11192	4.3
155.08553	7.3
156.09348	4.3
157.10103	10.6
159.11673	14.4
161.13229	7.0
163.14786	4.1
167.08594	3.3
168.09363	2.7
169.10126	6.8
171.11624	24.4
173.13240	23.7
177.12796	2.2
182.10892	7.4
183.11743	2.6
185.13297	6.9
187.14790	7.8
191.14247	13.5
197.13264	9.9
215.14345	3.5
233.15376	3.3
237.14763	3.5
274.97394	16.0
292.04782	1.8
292.98602	9.1
293.01984	1.7
293.15900	11.4
309.10327	1.7
311.17065	9.6
316.17426	3.1
331.93353	1.9
339.15631	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.96550	0.5
59.68786	0.2
65.03928	0.6
67.05488	1.1
69.03413	0.4
71.04971	1.2
79.05472	0.6
81.07036	2.9
83.04971	0.4
85.02879	1.7
85.06505	0.3
85.24829	0.3
91.05462	16.3
95.04939	0.4
95.08578	1.3
96.08904	0.4
97.02865	0.3
97.06507	0.3
98.97588	0.6
102.11774	0.3
109.06458	0.3
110.06025	1.2
113.06029	0.6
119.04918	44.1
122.06018	2.4
123.08047	0.7
124.07552	2.2
124.08342	0.4
134.06013	1.3
136.07562	7.6
141.09111	2.2
142.09445	0.4
147.04388	100.0
148.04688	0.5
150.05457	0.4
152.07047	7.9
159.10226	0.3
163.03857	1.1
164.07025	8.3
182.08061	2.0
215.08006	0.6
243.07773	0.3
260.12781	0.3
303.13333	3.0
321.14447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28664	1.5
55.05512	3.4
56.96560	3.9
64.68910	1.5
67.05499	7.3
69.03416	2.1
69.07058	7.0
71.04961	2.6
79.05479	12.9
81.07048	9.4
83.04961	2.2
91.05472	9.3
93.07034	23.6
95.05021	2.1
95.08582	7.1
98.97577	11.6
105.07040	9.3
107.08577	15.8
108.08895	2.0
109.10164	8.1
116.98610	8.1
119.08578	3.2
123.11720	2.9
129.43420	2.0
131.08543	3.1
133.10101	4.1
134.99664	3.5
135.11687	9.0
145.10109	2.6
147.04492	1.9
159.04272	2.7
171.04201	3.4
175.10954	10.2
186.06509	100.0
187.07314	7.2
213.08870	10.1
274.97339	7.3
292.98450	7.4
298.15424	25.9
318.67422	2.0
339.19330	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	339.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28664	1.5
55.05512	3.4
56.96560	3.9
64.68910	1.5
67.05499	7.3
69.03416	2.1
69.07058	7.0
71.04961	2.6
79.05479	12.9
81.07048	9.4
83.04961	2.2
91.05472	9.3
93.07034	23.6
95.05021	2.1
95.08582	7.1
98.97577	11.6
105.07040	9.3
107.08577	15.8
108.08895	2.0
109.10164	8.1
116.98610	8.1
119.08578	3.2
123.11720	2.9
129.43420	2.0
131.08543	3.1
133.10101	4.1
134.99664	3.5
135.11687	9.0
145.10109	2.6
147.04492	1.9
159.04272	2.7
171.04201	3.4
175.10954	10.2
186.06509	100.0
187.07314	7.2
213.08870	10.1
274.97339	7.3
292.98450	7.4
298.15424	25.9
318.67422	2.0
339.19330	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	339.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
57.55773	0.6
61.02902	0.9
69.03412	1.4
69.07053	1.9
69.08272	0.8
71.04946	0.7
72.08148	1.1
73.02895	1.3
79.05448	0.7
81.07025	1.5
81.99365	0.8
83.04998	1.5
85.02888	1.9
91.05455	1.5
95.04926	1.3
95.08543	1.2
97.02881	3.9
97.06490	1.2
98.97545	3.3
105.07033	1.4
107.04993	0.8
108.05167	0.8
110.06087	0.9
113.05951	1.0
116.98593	1.8
122.09634	1.0
125.05947	3.5
137.05898	0.7
141.09149	2.9
142.09508	0.8
143.07028	2.8
144.07407	1.0
147.04306	0.8
153.09207	0.8
159.06372	0.9
159.10222	0.9
160.04271	4.1
171.97418	0.7
177.07318	0.8
321.14435	1.0
339.10428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03925	1.1
67.05488	0.4
83.04966	1.2
83.22831	0.2
91.05464	12.1
93.03399	0.2
95.04962	0.2
104.30749	0.2
111.04427	0.3
119.04922	36.7
147.04391	100.0
148.04744	0.4
165.05460	0.3
179.62398	0.2
199.85861	0.2
225.42503	0.2
229.86476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
55.45386	0.3
60.58104	0.3
65.03916	1.6
78.71364	0.3
79.05497	0.4
80.48783	0.3
81.07030	0.6
83.04984	0.8
85.02938	0.3
91.05465	17.3
92.63889	0.4
93.07049	0.5
111.04473	0.6
119.04923	44.3
131.59160	0.4
137.05954	0.6
147.04395	100.0
148.04745	0.3
153.20810	0.4
257.33423	0.4
349.23383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08432	0.7
52.89470	1.1
53.03947	1.2
54.81617	1.3
55.05506	4.8
57.07064	1.0
59.06416	1.0
67.05499	14.9
69.07056	8.3
79.05481	38.7
81.07047	23.0
83.08614	2.5
91.05475	26.8
92.08714	2.1
93.07034	37.2
95.04963	5.4
95.08612	9.7
97.06521	1.2
98.97585	5.3
103.05479	1.5
105.07024	58.6
107.04961	5.2
107.08585	28.1
109.06540	3.7
109.10149	30.1
113.29295	1.1
115.05463	1.1
116.98656	2.0
117.06993	5.3
118.07796	5.6
119.08534	4.7
121.10126	5.3
123.08073	1.4
123.11710	10.9
129.06979	4.4
130.32243	1.1
131.08554	9.3
133.10117	100.0
135.11679	26.8
141.07010	6.0
143.08595	1.5
145.10117	1.7
147.11644	5.2
151.11176	9.9
153.12704	1.4
159.11678	2.1
168.09412	1.2
169.10130	2.5
171.11618	1.4
183.11674	4.1
185.13263	1.1
197.13148	1.2
199.14853	1.2
211.14812	3.8
217.54449	1.2
225.16338	2.0
267.20874	1.9
285.22165	7.6
295.16156	1.0
338.17075	2.3
339.15625	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	338.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47442	0.6
53.03939	0.8
53.42392	0.5
54.81870	0.6
55.05499	4.3
57.07067	1.7
65.13988	0.7
67.05501	12.9
69.07062	7.9
72.57302	0.7
79.05482	40.4
81.07042	20.0
83.08596	1.6
91.05469	33.7
93.07030	27.8
95.04973	1.8
95.08607	7.4
96.21387	0.7
97.06527	1.7
103.05425	0.8
105.07021	61.8
107.04330	0.8
107.04935	8.0
107.08584	23.2
107.91670	0.7
109.06497	1.5
109.10169	7.2
112.39094	0.7
113.04278	0.7
117.07015	5.3
118.07791	4.4
119.08563	5.8
120.43648	0.7
121.10146	6.9
123.11687	7.4
129.06989	3.6
131.08537	5.4
133.10120	100.0
135.11685	18.1
141.06967	7.1
143.08516	1.2
145.10095	1.7
147.08049	1.3
147.11659	3.6
151.11185	1.3
153.12779	0.9
155.08531	2.9
157.10080	0.8
159.11636	0.8
161.13229	0.9
165.12766	1.0
169.10114	3.9
171.11653	1.5
183.11694	4.9
185.13141	0.9
197.13298	1.7
203.17931	1.0
211.14838	2.8
225.16327	4.7
267.21082	1.8
285.22174	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	338.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.2
53.03951	2.3
55.01860	6.4
55.05507	26.5
57.03410	1.7
57.07071	16.0
59.05003	1.8
62.86364	1.4
65.03907	1.5
67.05500	45.5
69.07059	53.4
70.36025	1.4
71.04978	8.8
79.05477	33.1
81.03397	1.8
81.07040	89.6
83.04974	6.5
83.08597	10.6
85.02915	1.8
85.06541	2.7
91.05456	30.9
93.07029	44.2
95.04952	19.6
95.08589	100.0
97.06526	9.8
97.10148	1.5
99.04440	25.3
99.08083	7.3
105.04540	1.5
105.07019	42.5
107.08579	36.5
109.06509	83.1
109.10162	29.2
111.08067	7.5
113.05991	2.7
117.07016	11.2
119.08572	41.2
120.14241	1.4
120.70809	1.5
121.06499	2.1
121.10152	19.7
123.08048	17.3
123.11691	18.1
125.06024	2.1
125.09609	3.2
129.07043	2.2
130.91786	1.6
131.08553	13.8
133.10124	26.0
135.11729	10.6
137.09590	11.5
137.13251	9.3
143.08546	7.8
145.10120	24.4
147.08102	2.4
147.11687	17.5
149.09657	3.6
149.13252	8.4
151.11150	3.1
151.80261	1.4
153.09140	7.8
155.08575	1.7
159.11688	14.3
159.12785	1.4
161.13188	10.4
163.11192	3.1
163.14798	3.3
173.09628	1.7
173.13257	6.7
175.14868	3.5
179.67090	1.5
183.11682	1.9
184.71037	1.5
187.14864	8.4
189.16341	15.4
201.16373	5.5
203.14655	2.2
205.15887	7.0
215.17990	6.9
223.16965	3.2
233.15245	1.6
233.18970	3.1
253.49371	1.5
338.26782	1.8
355.92477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.33969	0.4
54.63241	0.4
55.05508	4.8
57.03429	4.5
57.07067	0.5
59.04979	2.5
61.02911	2.8
67.05492	16.2
69.03407	4.7
69.07050	3.4
71.04988	4.3
72.35194	0.5
79.05471	5.1
81.03399	4.9
81.07035	7.8
83.04970	7.7
85.02888	12.1
85.06537	3.9
87.04440	2.0
89.06028	0.6
91.05468	3.6
93.07022	9.5
95.04948	2.8
95.08585	100.0
97.02870	3.4
97.06493	1.0
98.97551	0.7
99.04428	10.2
99.08064	1.0
105.07018	2.7
107.08604	4.2
109.02857	0.7
109.06504	1.2
109.10154	2.1
111.08072	0.8
113.05973	3.7
113.09630	5.0
115.51708	0.5
117.07020	2.1
119.08572	0.6
121.06484	0.6
121.10148	0.8
123.08044	43.7
125.09603	1.1
127.03883	5.4
129.35826	0.6
135.08023	4.7
137.09602	0.6
141.05428	0.9
141.09084	50.4
153.09087	5.9
159.06473	1.2
159.10098	3.4
167.10648	0.5
171.10147	2.1
210.66351	0.5
263.23444	0.5
267.08737	0.9
285.09732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
54.81588	0.6
55.01868	1.2
55.05499	8.8
56.96551	0.8
57.03428	5.1
59.04980	4.8
61.02905	5.3
61.86263	0.6
67.05491	24.3
68.65511	0.8
69.03421	6.0
69.07036	4.9
71.04974	10.3
75.04456	0.9
79.05479	9.1
81.03391	9.9
81.07033	17.7
83.04966	19.1
83.08601	1.1
85.02892	14.9
85.06526	6.0
87.04449	3.4
89.06004	4.3
91.05457	5.8
93.07033	17.7
94.25953	0.8
95.04940	5.0
95.08582	100.0
97.02872	6.2
97.06519	5.9
98.97562	1.1
99.04428	18.6
99.08057	1.8
105.07001	5.3
107.08598	11.0
109.02843	1.1
109.06490	4.0
109.10153	5.7
111.08056	6.2
113.05974	5.3
113.09639	8.6
117.06994	1.9
119.08544	3.0
121.06442	1.4
121.10142	1.3
123.08044	46.3
123.11641	1.0
125.09582	4.3
127.03895	11.3
131.08534	1.2
133.06415	0.8
133.10120	1.0
135.08041	10.7
137.09563	0.9
141.05470	3.3
141.09077	63.5
145.04910	1.3
145.10100	1.0
147.04366	1.7
153.09071	12.5
159.06496	3.6
159.10107	7.8
171.10153	6.9
181.08540	3.8
200.04562	0.8
241.10809	0.9
267.08591	1.8
285.09644	4.6
334.18469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
53.55305	0.3
55.05503	8.3
57.03428	3.7
57.07077	3.4
59.04988	10.9
61.02907	2.1
67.05495	9.2
69.03416	4.0
69.07047	2.0
70.13150	0.4
71.04984	5.1
73.02921	0.5
78.77785	0.3
79.05474	5.3
79.25143	0.3
81.03415	1.6
81.07040	100.0
83.04984	1.8
83.08600	8.2
85.02890	13.8
85.06528	0.9
87.04439	0.4
91.03983	0.5
91.05463	0.6
93.07032	2.2
95.04952	0.8
95.08587	9.7
97.02876	3.4
97.10149	3.4
99.08073	57.6
105.07034	0.8
107.08595	1.8
109.02865	1.9
109.06487	0.7
109.10155	0.6
112.66554	0.4
113.09650	0.7
119.08533	0.4
121.10144	0.6
123.08066	1.6
123.11684	71.0
125.09605	0.6
127.03918	2.0
141.09087	4.7
141.12730	6.9
145.04973	1.0
159.10144	17.9
219.41357	0.5
254.12958	0.4
254.30138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
54.53132	0.6
55.01859	0.7
55.05503	9.2
55.20212	0.5
57.03421	3.8
57.07063	4.9
59.04988	13.3
60.31068	0.5
61.02911	1.0
67.05489	10.0
69.03407	5.0
69.07044	3.1
71.04974	6.0
73.02901	0.9
79.05473	5.8
81.03379	1.2
81.07038	100.0
83.04964	1.0
83.08611	10.6
85.02421	0.9
85.02894	16.5
85.06542	2.4
88.79644	0.5
91.05432	1.0
93.07002	2.8
95.04932	1.3
95.08583	11.4
97.02896	4.7
97.10143	3.9
99.04394	0.9
99.08073	43.5
105.07013	0.7
107.08601	1.4
109.02849	1.3
109.06487	0.7
119.08518	0.9
121.10165	1.0
123.08044	1.0
123.11682	88.5
127.03905	2.5
134.80301	0.6
135.11685	0.7
141.09085	3.2
141.12715	10.1
145.04912	1.0
149.09627	0.7
150.35674	0.5
159.10139	13.3
202.08672	0.6
218.11366	0.6
222.38474	0.6
249.14899	0.7
272.81555	0.7
325.61633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80716	0.3
55.05506	0.8
55.86986	0.3
56.70884	0.3
62.17167	0.3
67.05490	0.7
68.26582	0.3
69.07051	0.6
72.14213	0.3
73.63644	0.3
76.56116	0.3
77.84778	0.3
79.05468	1.6
79.46107	0.3
81.07037	1.7
87.04469	0.3
91.04893	0.4
91.05465	11.2
92.08690	0.4
93.07047	4.1
95.04952	0.7
95.08588	0.7
98.97584	0.7
103.05416	0.6
105.07021	53.0
107.08580	6.1
109.06517	1.2
109.83199	0.3
115.05483	1.2
116.98615	1.4
117.06999	2.7
118.07777	4.3
119.08568	0.5
121.10085	0.5
123.11719	0.6
131.08543	5.7
133.10114	100.0
135.11702	1.4
135.78503	0.3
145.10136	0.4
169.56595	0.3
179.83282	0.3
205.28177	0.3
292.98734	0.4
303.22601	0.4
304.68210	0.3
308.72809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59043	0.4
53.03930	1.0
55.01854	3.4
55.05498	5.9
57.03424	2.8
57.07054	0.4
59.04974	0.9
61.02902	2.9
67.05493	12.1
69.03407	7.1
69.07046	4.0
71.04975	12.0
73.02868	0.8
78.30105	0.5
79.05470	10.3
81.03395	5.7
81.07039	10.5
83.04974	4.4
83.08601	4.1
85.02889	17.0
85.03371	0.9
85.06522	2.3
87.00810	0.6
87.04443	1.3
91.05446	5.6
93.07023	27.2
95.04945	2.3
95.08584	20.9
97.02851	3.9
97.06499	3.2
97.10168	1.0
99.04436	20.8
99.08077	1.2
105.01814	0.7
105.07002	3.6
107.04928	2.1
107.08581	14.7
109.02834	0.7
109.06501	3.3
109.10146	7.4
111.08067	12.7
113.05986	10.0
113.09622	3.0
116.98643	0.6
117.06980	5.2
119.08578	1.0
121.06472	2.3
123.08075	5.4
125.09608	9.3
127.03890	100.0
131.08513	0.8
135.08031	22.3
137.09550	0.8
141.05449	30.1
141.09084	55.2
145.04922	4.8
149.09618	0.8
153.09073	28.3
159.06506	11.5
159.10136	31.7
163.07520	3.0
171.10139	14.0
181.08543	5.8
192.29254	0.5
199.09651	3.0
217.10670	2.2
240.30763	0.6
267.05945	0.6
267.08554	4.1
274.10635	0.6
285.09714	8.5
303.10699	3.7
303.14178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65249	0.5
55.05501	1.1
55.63515	0.6
56.96560	12.7
60.18284	0.6
62.83805	0.6
67.05486	4.5
69.07055	3.5
75.05224	0.6
79.05475	3.4
81.07055	8.7
91.05450	4.7
93.07027	5.7
95.08587	4.5
98.97566	100.0
105.07019	13.8
107.08589	6.0
109.10139	3.9
110.59361	0.7
116.98605	84.6
119.08562	19.6
120.05680	0.8
121.10109	2.8
123.11677	3.4
131.08546	1.1
132.46780	0.8
133.10080	7.3
134.99634	44.0
135.11694	1.3
140.00179	0.8
147.11673	6.2
153.00700	6.2
161.13098	0.7
190.19833	0.7
203.18005	3.1
238.43185	0.8
315.24310	0.8
319.15765	22.2
337.16791	35.9
338.13409	0.9
355.17822	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	337.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18970	0.4
53.03925	0.8
54.81691	0.7
55.05499	3.7
56.96288	0.7
56.96558	16.5
57.07057	0.9
62.38431	0.6
67.05494	7.5
69.03397	0.6
69.06184	0.6
69.06714	0.8
69.07053	12.3
71.04978	12.3
79.05466	5.5
81.06593	1.1
81.07042	21.4
91.05438	7.4
93.07026	10.9
95.04953	1.4
95.08605	10.7
96.13217	0.6
97.06478	0.8
98.97565	100.0
105.07021	13.7
107.08572	8.6
109.06514	1.0
109.10155	7.3
116.98602	89.4
119.08562	7.1
121.06464	0.9
121.10132	3.3
123.11646	4.9
127.00617	0.7
130.80765	0.6
131.08543	1.1
133.10101	4.3
134.99643	51.0
135.11690	1.1
140.00191	0.8
145.10117	4.1
147.11646	4.8
153.00674	7.8
157.10149	0.8
158.01221	1.1
159.11665	0.7
161.13208	0.7
169.01686	1.4
187.02725	15.2
205.03770	4.8
225.11601	1.2
255.13400	0.8
277.14740	0.8
301.14645	5.8
319.15747	25.6
337.16797	37.9
337.29059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.86003	0.8
56.96555	35.6
65.53773	0.7
67.05498	6.6
69.07052	3.4
71.95257	1.5
79.05484	4.7
81.07039	15.9
83.08612	0.8
91.05479	5.4
92.64786	1.0
93.07036	7.6
95.08592	4.6
98.97563	100.0
102.97872	1.0
105.07022	6.3
107.05004	1.2
107.08540	7.8
109.06535	1.7
109.10171	3.8
115.00715	1.5
116.98602	83.9
117.06947	0.9
117.51729	0.9
119.08588	2.1
121.06512	1.3
123.11684	5.0
133.01767	1.8
133.10106	1.5
134.99644	39.4
135.11647	1.5
140.00230	1.6
143.03751	1.4
145.10181	1.4
153.00722	6.3
155.03769	1.9
158.01247	1.1
159.03253	1.0
161.04852	5.7
169.12210	1.1
171.03249	1.2
173.04770	2.0
175.06364	0.9
179.05870	1.5
204.14880	0.9
209.08475	3.6
213.07848	1.5
227.09532	3.7
234.97243	0.9
277.14722	3.8
295.15637	8.6
319.15765	37.6
337.16803	40.9
355.18033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77792	0.9
55.04724	1.0
55.05484	6.2
56.96560	68.7
57.49984	1.2
59.04966	1.0
62.31545	1.0
65.62823	1.2
67.05470	7.5
69.07027	5.8
71.95220	1.9
79.05477	12.8
81.07035	23.1
83.08585	1.4
91.05460	13.1
93.07018	25.3
95.04922	2.8
95.08572	10.1
97.06503	1.6
98.97562	100.0
105.07011	12.4
105.30473	1.4
107.08578	17.2
109.06477	2.3
109.10165	8.5
115.00629	7.9
116.98601	86.3
119.01870	9.1
119.08553	9.4
121.10147	3.0
123.07983	1.5
123.11617	2.1
131.08476	5.0
132.02594	6.2
133.01665	5.1
133.10059	2.5
134.98627	1.9
134.99634	52.3
135.11641	2.3
137.02786	5.9
137.09518	5.4
140.00154	1.6
141.02199	8.6
145.01640	1.8
145.03383	2.4
145.10036	1.9
147.03207	2.3
147.08000	1.4
147.11621	1.9
149.09508	1.8
153.00620	9.3
153.02007	1.9
153.06346	1.3
155.03699	2.4
157.03380	1.6
157.10106	1.9
159.03253	28.4
159.11618	2.3
161.04776	2.9
163.04413	1.4
171.03186	6.2
173.02835	5.3
174.03755	1.3
175.04472	1.7
177.04300	9.1
183.03226	1.7
187.02753	1.4
187.04356	1.7
187.06221	1.6
195.06865	2.1
197.04713	1.4
197.08412	4.7
199.06322	6.7
207.06761	1.5
209.08365	7.4
210.15041	1.1
213.07831	5.6
215.09538	10.2
223.09920	1.9
225.07855	2.9
225.11452	1.4
227.09401	8.7
233.10356	1.8
237.09732	9.1
241.10999	2.9
243.12541	2.4
253.10767	1.8
255.10689	15.7
258.98395	1.3
265.10889	6.8
267.12619	18.1
275.13004	2.6
277.14771	9.3
279.12494	5.2
283.12030	1.4
285.13565	5.5
291.14337	1.4
293.14224	11.8
295.15823	10.1
301.16644	2.0
309.15237	2.5
319.15350	24.1
337.16620	73.8
357.24658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
56.15754	1.5
56.96556	36.7
57.07080	1.8
62.20838	1.1
65.10376	1.1
65.40646	1.3
67.05489	8.8
69.07042	6.4
71.95247	1.7
79.05473	6.3
81.07034	20.2
85.82837	1.2
91.05460	8.2
93.07020	13.4
95.08582	7.1
97.06488	1.6
98.97562	100.0
105.07002	11.7
107.04942	2.7
107.08556	9.2
109.06518	2.2
109.10122	5.0
114.09815	1.4
115.00677	6.0
116.98598	89.1
119.08523	5.7
121.06512	1.6
121.10143	2.2
123.11650	5.9
127.00591	1.4
133.01721	2.9
133.10114	6.8
134.99631	53.4
135.11659	1.7
145.10185	1.9
149.09558	1.5
153.00694	6.3
155.03780	1.5
159.03236	3.1
159.11694	2.0
161.04840	5.7
173.04814	1.5
179.05943	2.4
179.68678	1.4
184.51483	1.4
191.14020	1.5
213.07974	2.8
227.09541	2.5
241.11063	1.7
277.14673	6.5
295.15701	6.0
319.15750	34.3
337.16760	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	337.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05497	2.4
56.96558	14.7
57.12365	0.3
67.05491	4.1
69.03407	0.5
69.07061	4.7
71.04997	0.4
71.95255	1.5
79.05462	3.0
81.07040	6.9
83.08600	0.4
91.05467	4.1
92.08660	0.5
93.07030	12.6
95.04964	1.8
95.08588	4.3
98.97563	100.0
105.07015	7.2
107.08588	6.1
109.10158	4.6
111.08086	0.5
115.00688	0.7
116.98599	76.0
117.07055	0.4
119.08558	3.9
121.10126	2.1
123.11679	0.6
133.01694	0.5
133.10114	3.3
134.99634	38.5
135.11674	2.1
140.00255	1.3
141.02219	0.7
145.01659	0.6
145.10118	0.5
147.11685	2.6
153.00700	5.0
158.01225	0.8
159.03334	1.5
171.11653	0.5
172.73869	0.4
201.04405	0.8
201.07933	0.4
215.14311	0.4
227.09521	0.6
235.70801	0.4
249.11513	0.5
251.09558	0.4
259.56378	0.4
267.12576	2.8
277.14825	1.8
295.15820	0.5
301.14697	12.3
319.15741	32.8
337.16797	18.6
337.28925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83596	0.5
53.03931	0.7
55.05497	1.4
56.96560	13.0
59.86356	0.5
67.05484	5.0
69.07053	6.4
71.95255	1.1
79.05466	3.5
81.07039	8.8
81.10056	0.6
83.08604	1.0
90.21334	0.5
91.05460	3.6
93.06486	1.1
93.07029	16.3
95.04986	0.6
95.08591	5.0
97.31611	0.6
98.97564	100.0
105.07019	7.4
107.08599	9.3
109.06499	1.0
109.10120	5.9
113.35223	0.6
115.00657	0.8
116.98606	75.9
119.08559	7.0
121.10107	2.3
123.11716	1.3
125.50109	0.6
127.00648	1.0
131.08562	0.7
133.10112	3.0
134.99640	30.7
135.11652	3.7
140.00153	0.7
145.01637	0.9
145.10114	2.7
147.11682	3.3
153.00694	4.7
157.10161	1.1
158.01186	0.8
159.03294	1.1
159.11667	0.8
165.30464	0.7
201.04340	2.2
301.14722	11.4
319.15765	28.5
337.16751	18.6
337.20477	1.1
337.28848	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11404	1.6
55.05497	4.4
56.96556	45.1
57.07065	2.8
66.86880	1.5
67.05486	14.8
69.07043	11.7
71.04977	2.1
71.82277	1.8
79.05454	10.3
79.73958	1.6
81.07039	37.1
83.04963	3.1
91.05447	10.8
92.09299	3.7
93.07017	21.5
95.04942	7.0
95.08569	11.8
98.96927	3.5
98.97562	100.0
103.05428	8.9
104.05799	3.7
105.07009	18.3
107.08578	15.8
108.08900	2.3
109.06484	2.8
109.10152	13.3
115.00696	3.2
116.98595	84.4
117.07003	2.3
119.01909	2.2
119.08545	12.1
121.10101	8.7
123.08008	2.1
123.11651	19.5
131.01851	2.8
131.04892	13.8
131.08540	3.2
132.02654	4.1
132.05232	11.9
133.01707	7.9
133.05530	2.4
133.10130	12.8
134.99620	47.3
135.11610	3.1
137.09570	8.0
145.01666	2.9
145.10156	2.3
147.11671	2.5
149.09715	2.1
151.11159	3.3
153.00674	8.4
159.03207	9.0
160.15529	1.7
161.04872	2.2
169.12381	2.2
173.02934	10.7
175.06375	10.9
185.04657	2.1
187.04443	2.4
187.06265	1.9
193.07419	2.4
215.09546	3.4
227.09518	15.3
237.09676	11.7
245.10561	7.4
255.10774	19.8
262.76559	2.1
277.14688	2.8
295.15762	10.1
313.16925	1.9
319.15662	32.3
319.22342	2.4
337.16629	56.1
355.17712	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35196	1.2
92.09315	1.6
94.59845	1.5
98.01870	1.5
337.08762	100.0
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
56.96595	10.3
64.52467	10.8
67.05500	12.2
69.03399	14.8
79.05454	21.0
83.04967	26.7
85.02871	22.4
91.05465	19.3
93.06999	61.8
94.72481	11.0
95.04922	13.4
95.08547	20.2
97.02855	21.3
97.06516	11.2
107.25365	11.7
109.06480	17.1
109.10150	13.9
111.04436	12.4
121.02833	22.8
139.07535	26.3
145.34605	11.9
170.91406	13.0
175.03625	98.8
185.04253	100.0
199.31508	12.4
337.08835	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.8
55.25650	1.9
56.58914	1.8
56.96561	2.3
57.03433	2.5
58.54255	1.6
59.04988	48.3
59.50329	2.0
61.02911	10.8
61.58949	1.6
67.05488	4.0
69.03410	2.3
71.01335	2.9
75.68104	2.0
77.52139	2.2
79.05473	15.3
81.07032	12.9
83.01348	1.9
83.04967	4.7
85.02890	4.2
91.05453	38.7
93.03327	2.2
93.07024	100.0
94.32751	1.9
95.04930	10.3
95.08585	10.2
95.09135	2.2
101.43375	2.5
103.05435	21.4
105.07026	25.4
107.08559	5.0
109.02899	2.3
109.06488	2.4
115.05443	14.0
116.78376	2.1
116.98622	3.2
117.06989	4.8
118.04107	3.1
119.04909	4.1
123.11700	4.2
128.06169	2.4
130.04132	11.8
131.04897	60.1
131.08566	4.3
133.06482	4.9
133.10092	29.1
134.36768	2.1
134.99756	2.1
136.66066	2.2
139.05341	2.8
139.07501	2.7
140.07886	2.3
141.06956	22.6
143.04916	2.3
144.05698	9.8
145.06470	10.6
145.53795	2.1
146.03561	12.8
147.04407	9.0
147.08022	2.5
151.11154	9.9
157.02814	10.7
157.06456	14.0
158.03537	3.0
158.07208	8.0
159.04437	10.0
159.08046	8.5
160.05226	3.9
161.05945	25.7
167.07014	2.3
168.05579	5.0
169.06435	25.6
169.12213	10.8
171.04384	12.8
172.05315	2.2
173.05957	8.2
174.03113	2.8
175.03995	3.1
175.07440	2.6
175.08772	2.9
176.04689	12.6
177.05531	4.2
178.06374	2.6
181.04904	3.1
185.02338	3.9
185.05962	12.7
186.06757	13.9
187.03836	24.3
187.07539	9.2
188.04672	9.3
189.01793	13.9
189.05432	22.6
190.06206	5.1
191.07008	47.8
193.08530	4.1
197.05968	20.0
199.03845	11.6
200.04622	3.4
201.05421	3.6
201.09109	8.1
203.03381	9.3
203.06998	5.0
204.04155	29.9
205.04916	3.4
213.05449	4.2
214.06236	13.1
215.07051	21.2
216.04257	3.1
217.04984	13.4
217.08508	3.1
218.05711	9.8
219.06497	16.2
221.08160	3.0
229.08553	10.2
231.02979	2.8
231.06534	4.8
232.07228	2.8
233.08092	3.0
235.05945	4.0
242.05748	2.6
243.06532	14.2
245.04401	22.7
245.07965	8.2
247.09598	15.7
257.08011	19.6
260.06711	41.5
262.04770	8.4
263.05405	3.5
273.07388	3.8
275.09073	64.1
277.06998	25.9
287.05435	8.7
307.80792	2.1
319.08035	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	336.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01875	3.2
55.05506	23.7
57.03445	5.2
59.04984	12.5
60.02738	2.5
61.02906	2.5
64.33627	2.3
66.04684	2.5
67.05500	22.5
69.03421	2.9
69.07048	4.9
69.49745	2.3
71.04966	31.5
72.05756	6.7
73.02895	5.5
75.04462	100.0
79.05469	24.3
81.07045	44.1
83.04969	11.1
85.06538	27.5
91.05454	28.8
92.64546	2.8
93.07030	35.5
95.04971	15.4
95.08600	14.7
105.04443	3.3
105.07018	13.4
107.08595	11.3
109.06499	4.7
109.10152	3.4
119.08561	4.7
137.09634	3.3
144.54929	2.8
147.73395	3.2
173.09615	2.7
350.14587	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	336.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.8
55.01883	2.4
55.05508	21.6
57.03428	2.7
57.52100	1.7
58.04219	3.0
59.04988	16.9
63.13497	2.1
65.03945	2.3
67.05501	20.7
69.07056	3.8
71.04986	25.8
72.05773	3.5
73.02888	1.7
75.04468	100.0
79.05480	22.4
81.03404	3.6
81.07041	35.2
83.04971	9.9
85.06538	11.4
87.04447	2.5
91.05466	30.3
92.09218	2.3
93.07027	31.3
95.04945	23.5
95.08577	16.9
97.06588	2.7
105.04507	3.0
105.07034	11.8
107.08591	11.2
109.06516	4.0
109.10188	3.1
109.74612	1.9
119.08535	3.9
137.09682	2.3
161.61101	1.8
163.71364	1.8
173.16908	2.2
192.63051	2.5
199.79448	2.1
202.90392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
54.81779	1.3
55.01871	2.5
55.05502	12.5
57.03424	1.6
58.04214	2.6
59.04991	8.7
59.90865	1.5
60.49223	1.3
61.02917	1.6
63.45801	1.5
65.03913	2.0
67.05488	7.9
69.03413	3.6
69.07069	1.6
71.01353	2.1
71.04978	14.6
73.02901	8.2
75.04462	100.0
78.92329	1.4
79.05479	20.0
81.03413	2.2
81.07032	19.9
83.04971	7.1
83.08607	1.4
85.06550	3.6
87.04459	1.4
88.05239	3.5
91.05473	23.8
93.07024	21.5
95.04946	17.9
95.08603	3.3
99.04433	1.9
105.04556	2.1
105.07037	9.9
107.08593	10.9
108.47710	1.6
109.06522	6.9
109.10154	2.8
119.08572	6.0
152.35995	1.7
169.87595	1.6
218.02028	1.9
285.89191	1.9
304.93509	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33370	1.1
53.03942	2.4
55.01848	1.0
55.05494	6.1
57.03418	5.4
61.02903	7.1
67.05491	2.1
69.03407	12.2
69.07056	34.6
70.06556	1.4
71.01297	1.6
71.04978	100.0
72.08125	1.8
73.02919	1.4
73.57162	1.1
79.05477	14.6
80.16660	1.1
81.03407	1.8
81.07043	11.5
83.04951	4.2
84.38247	1.1
85.02892	68.8
85.06574	1.1
91.03932	1.8
91.05468	15.1
92.09250	1.6
93.07024	72.0
95.04934	7.7
95.08563	8.4
97.02879	15.7
97.06510	6.4
99.04410	2.5
105.07018	9.3
107.08598	2.7
109.02858	5.6
109.06490	1.9
119.08573	3.0
121.06439	1.2
121.10123	50.5
123.07996	2.9
127.03851	12.4
133.10139	1.4
139.07518	2.7
139.11169	2.4
145.04947	16.3
157.08533	1.9
163.05983	13.2
233.10246	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	336.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77576	1.0
52.84084	1.1
53.03920	1.3
55.01865	1.3
55.05502	9.3
55.05737	0.9
57.03413	4.6
57.07045	1.4
57.16830	1.0
58.45124	0.9
59.04990	5.4
59.77617	0.9
61.02906	1.1
63.82548	0.8
64.03482	1.0
67.05490	7.8
69.03402	6.7
69.07053	11.8
71.04974	13.4
73.02905	1.3
77.56972	1.1
79.05475	26.7
81.03397	1.7
81.07039	51.4
83.04964	14.6
85.02880	7.2
91.05461	8.5
93.07025	59.7
94.58692	1.2
95.04960	7.9
95.08578	22.1
97.02863	2.5
97.06512	10.0
97.10152	1.9
99.04440	2.4
99.08073	1.4
102.55009	1.1
105.07011	10.4
107.08590	6.7
109.06508	2.2
109.10136	5.2
111.08083	2.8
111.43114	1.1
113.05988	1.6
117.07026	1.5
119.08547	4.6
121.06506	1.4
121.10126	100.0
123.08059	1.7
127.03896	1.4
128.19568	1.1
133.10139	1.9
137.09589	1.8
139.11153	53.2
145.10118	1.2
149.09531	1.3
157.12219	1.6
171.29097	1.3
172.99886	1.1
173.08012	2.5
182.76419	1.0
185.65994	1.6
203.79861	1.2
217.14810	1.2
337.08939	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	336.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47646	0.8
53.03931	2.0
54.49329	0.9
55.05502	5.3
57.03429	100.0
59.04987	4.8
60.12763	1.1
61.02919	1.6
65.03925	1.6
67.05493	9.1
69.03421	6.1
69.07056	6.2
70.07421	1.1
71.04990	2.1
79.05478	12.3
81.03407	2.9
81.07031	16.1
83.04970	8.9
85.02898	14.2
85.06556	1.9
87.04456	1.5
90.74206	1.2
91.05465	13.0
93.06472	1.8
93.07021	18.7
95.04966	10.7
95.08601	6.9
97.02884	5.8
97.06516	7.6
99.04428	1.5
99.26460	1.1
105.07014	8.2
107.04940	1.6
107.08566	5.6
109.06489	2.9
109.10148	2.1
111.04466	1.9
111.08092	1.4
117.07039	2.0
119.08558	2.9
121.06475	1.8
121.10126	39.6
121.10977	1.9
123.08054	2.5
125.09483	1.1
127.03867	1.2
131.08565	2.1
135.08049	1.7
139.11162	64.8
141.09143	1.7
145.10124	2.8
147.07999	1.4
149.09544	1.3
156.13718	1.6
173.09584	1.2
232.21591	1.3
305.25815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.5
53.03933	0.7
55.01863	0.6
55.05508	3.3
56.96544	0.6
57.03403	0.6
57.07061	0.9
59.04979	0.6
64.32644	0.3
67.05492	8.0
69.03411	0.6
69.07063	3.6
71.04991	3.1
79.05479	7.4
81.03379	0.6
81.07045	18.7
83.04958	4.7
85.06545	0.6
91.05457	6.3
92.08892	0.5
93.07033	8.8
95.04950	4.1
95.08602	4.8
97.06513	2.1
103.05455	49.5
103.95131	0.4
105.07024	7.9
106.75312	0.4
107.08598	9.6
109.06528	3.3
109.10159	6.3
111.08051	0.7
117.07038	0.7
119.08565	2.2
121.10155	3.7
123.08038	0.6
123.11691	6.9
129.06970	0.5
131.04912	100.0
131.08537	2.5
132.05249	0.9
132.10219	0.6
133.10118	4.2
142.07686	0.5
145.10109	1.0
147.11671	0.6
149.09579	0.7
151.11201	5.3
155.08537	0.5
157.10085	0.6
159.11639	0.6
169.12225	2.3
175.14836	0.6
177.96326	0.4
185.13222	0.5
275.92688	0.4
317.17493	3.4
326.73911	0.5
334.29376	2.0
335.18173	0.8
335.26984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.5
53.03933	0.7
55.01863	0.6
55.05508	3.3
56.96544	0.6
57.03403	0.6
57.07061	0.9
59.04979	0.6
64.32644	0.3
67.05492	8.0
69.03411	0.6
69.07063	3.6
71.04991	3.1
79.05479	7.4
81.03379	0.6
81.07045	18.7
83.04958	4.7
85.06545	0.6
91.05457	6.3
92.08892	0.5
93.07033	8.8
95.04950	4.1
95.08602	4.8
97.06513	2.1
103.05455	49.5
103.95131	0.4
105.07024	7.9
106.75312	0.4
107.08598	9.6
109.06528	3.3
109.10159	6.3
111.08051	0.7
117.07038	0.7
119.08565	2.2
121.10155	3.7
123.08038	0.6
123.11691	6.9
129.06970	0.5
131.04912	100.0
131.08537	2.5
132.05249	0.9
132.10219	0.6
133.10118	4.2
142.07686	0.5
145.10109	1.0
147.11671	0.6
149.09579	0.7
151.11201	5.3
155.08537	0.5
157.10085	0.6
159.11639	0.6
169.12225	2.3
175.14836	0.6
177.96326	0.4
185.13222	0.5
275.92688	0.4
317.17493	3.4
326.73911	0.5
334.29376	2.0
335.18173	0.8
335.26984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
57.03011	0.4
57.03423	1.2
61.02598	0.8
61.02916	24.1
67.69691	0.6
69.03421	4.2
70.06583	5.4
73.14638	0.5
79.05476	48.4
81.03413	0.9
83.04967	1.2
85.02893	12.5
91.05453	2.7
93.07026	28.9
95.04942	1.1
97.02879	15.9
97.06516	21.1
98.27168	0.5
109.02896	0.6
109.06516	0.7
111.03773	0.7
111.04433	6.3
111.08063	0.6
112.06831	0.6
112.07605	3.8
116.07056	0.8
121.06485	10.1
125.02319	1.2
127.03889	1.0
137.05948	3.1
138.06305	0.8
139.03949	4.2
139.07521	100.0
140.04614	0.6
157.04961	15.6
157.08575	57.1
158.08154	3.0
160.01505	0.5
167.07010	2.6
177.05478	0.7
215.08904	0.6
257.56534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.48109	0.4
55.05507	3.1
57.03444	0.5
57.07047	0.9
57.08324	0.3
59.04999	3.0
60.51677	0.3
64.18001	0.4
67.05189	0.6
67.05496	9.9
69.07043	2.6
71.04973	4.3
79.05479	6.7
81.06605	0.9
81.07046	19.2
83.04999	0.7
83.08605	1.0
91.05466	6.2
93.07030	8.7
95.04963	4.0
95.08611	4.6
103.05456	48.4
103.20530	0.5
105.07020	11.0
107.08585	13.6
109.06502	3.8
109.10146	11.8
121.10125	1.8
123.08033	0.8
123.11678	6.5
126.89244	0.4
131.04912	100.0
133.10112	5.8
149.05980	0.5
151.11168	9.0
169.12251	1.7
299.16516	3.5
317.17435	0.6
335.18039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.03230	0.2
55.01862	0.5
55.05507	3.6
56.96552	4.3
57.03422	0.8
57.07063	1.5
59.04982	0.7
59.62112	0.3
67.05135	0.7
67.05488	13.2
69.03407	0.7
69.07051	6.7
71.04975	6.2
71.08607	4.3
77.03910	0.6
79.05476	4.6
81.03448	0.4
81.07037	16.4
83.04962	2.6
83.08626	0.4
85.02892	3.6
85.06523	2.7
85.10168	1.7
91.05447	6.6
93.07008	5.8
95.04942	3.0
95.08572	2.6
97.06524	0.5
98.97558	12.1
99.04413	0.7
99.08085	2.8
103.05447	52.6
104.05792	0.5
105.03367	0.8
105.04479	0.5
105.07008	11.8
107.08577	10.1
109.06498	2.3
109.10142	20.0
113.05969	0.7
113.09648	0.7
116.98603	10.6
117.07026	0.6
119.08553	2.1
121.10121	0.9
123.11681	3.0
127.07510	0.7
130.49771	0.4
131.04901	100.0
131.08534	2.3
132.05235	2.2
133.10097	15.2
134.99649	5.6
141.12708	15.3
141.13744	0.8
145.10161	1.4
147.11661	0.5
149.05934	1.8
151.11176	6.3
157.07907	0.4
157.10078	0.6
159.03268	0.6
159.11678	0.4
169.12195	13.5
182.27209	0.4
183.11659	0.4
194.90570	0.3
275.13199	0.5
293.14191	1.6
311.15091	0.5
317.14075	2.8
317.17459	5.8
335.15158	8.4
335.21719	0.7
353.16287	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50274	0.3
55.05488	0.6
56.04802	0.5
56.05032	7.4
56.96566	0.4
57.06813	0.9
57.07068	10.1
58.06593	12.1
60.04508	2.5
67.05504	0.4
69.07057	0.6
70.06566	1.0
71.08607	3.3
72.08147	5.0
74.06071	7.0
79.05507	0.5
81.07025	0.7
84.87632	0.5
85.10170	0.8
85.28398	0.5
86.06059	6.8
87.04453	0.5
88.07616	67.1
89.05996	0.7
100.07590	2.4
102.09162	1.0
104.07098	5.9
110.91994	0.4
118.08592	0.6
131.04926	2.8
132.10187	18.3
143.00121	2.3
161.01187	0.9
162.11261	4.0
166.10732	3.5
167.53426	0.5
178.94670	0.5
216.97447	0.6
228.23248	0.8
242.24742	54.0
244.18195	0.6
254.24892	0.8
286.27365	17.7
316.28375	2.7
334.29471	100.0
335.29953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05503	0.5
56.96564	0.6
57.03432	0.8
61.02913	3.5
62.62260	0.4
64.33545	0.6
65.03924	4.4
67.05495	100.0
69.03417	5.7
73.02899	0.8
75.78814	0.6
81.03394	2.1
81.07050	0.9
85.02892	18.8
91.05470	0.9
95.04951	48.0
97.02861	5.5
99.04470	0.6
108.48069	0.6
109.02903	2.1
111.08163	0.6
113.06018	1.0
116.98592	1.2
127.03899	2.3
137.05978	3.5
138.05482	31.5
138.06503	1.5
145.04970	1.3
155.07101	0.7
156.06535	40.1
317.11349	0.8
328.89026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68728	0.8
53.43646	0.7
55.01838	1.0
55.05504	3.4
56.05020	2.0
56.96284	1.6
56.96558	35.0
57.07064	5.5
58.06599	6.1
60.04510	1.3
61.67406	0.8
67.03435	0.9
67.05478	6.1
69.03429	1.0
69.07047	4.9
70.06551	1.2
71.04958	0.9
71.08617	1.3
71.95242	2.0
72.08138	2.2
74.06049	3.7
74.41551	0.7
74.81168	0.8
79.05474	6.3
81.07047	11.8
83.04974	1.1
86.06053	2.1
88.07616	39.0
89.07933	3.3
91.05482	7.3
93.07035	11.2
95.04945	3.3
95.08568	7.0
98.97566	100.0
104.07068	1.7
105.07019	10.5
107.08588	7.0
109.06467	2.9
111.08072	0.9
115.00703	1.0
116.98603	81.8
117.07021	1.4
119.08562	5.5
121.10143	1.6
123.08016	1.2
123.11737	1.5
131.04897	4.4
131.08525	2.0
132.10194	10.0
133.01691	1.7
133.10124	3.9
134.99632	45.3
135.11687	1.5
137.02679	1.0
137.09558	1.0
140.00189	1.1
145.10091	1.3
147.11691	2.0
153.00681	7.5
155.03810	1.6
157.10077	1.0
159.11766	1.3
161.04721	1.1
162.11253	1.5
163.96651	1.0
171.03160	1.1
175.14597	0.9
183.03174	1.7
183.53917	0.9
213.08032	2.0
215.05894	2.1
219.23132	1.0
235.09904	0.9
242.24742	20.7
243.25165	8.5
254.24692	1.2
275.13162	1.6
281.14273	1.1
286.27298	4.9
287.27679	4.7
293.14133	2.2
312.15714	1.1
317.14246	17.6
334.29440	35.5
335.15155	33.1
335.18655	1.5
335.21686	1.8
335.29825	24.9
353.16202	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	334.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05506	13.9
57.07076	20.0
58.34186	1.0
65.03919	1.4
67.05496	10.0
69.03379	1.1
69.07066	10.2
70.06586	8.7
71.04977	1.3
74.09711	12.8
79.05484	17.7
81.07042	9.2
83.08595	9.4
85.06535	100.0
91.05464	29.0
93.07031	92.7
95.04946	8.2
95.08588	2.3
103.05447	5.5
104.32378	1.0
105.04487	1.5
105.07022	30.2
107.04945	39.3
107.08585	74.4
109.06519	4.6
109.10126	2.3
115.05467	2.4
116.05294	1.6
117.06985	4.4
119.08576	7.9
120.18438	1.2
121.06481	5.6
121.10110	4.6
122.03598	1.6
123.11715	1.4
129.07045	1.5
131.04922	4.3
131.08600	3.8
133.06482	19.9
133.10101	4.1
135.04390	2.4
135.11678	36.1
137.01038	1.0
137.05962	43.5
143.08618	1.1
145.06435	4.8
147.08038	2.0
149.09604	1.3
150.06679	1.8
151.07558	1.5
155.08516	1.1
161.06000	1.5
161.09595	6.2
162.06731	12.2
163.07509	7.1
163.11186	2.1
165.09096	38.5
172.11615	1.6
177.09067	6.0
189.09071	4.4
189.12640	1.4
201.09103	5.1
203.10707	1.3
205.12117	1.7
211.11182	1.5
217.12288	1.9
222.14844	21.7
243.13879	2.1
246.15147	1.2
246.25980	1.2
278.21185	13.2
299.20154	1.7
334.27487	2.9
352.36273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01861	4.5
55.05502	23.4
56.96551	5.3
57.03419	2.5
57.07076	2.2
59.04989	4.3
65.03928	3.5
67.05489	41.0
69.03400	3.3
69.07047	22.1
71.04980	10.8
77.72746	2.0
79.05479	56.3
81.03411	5.6
81.07037	66.4
81.07475	3.8
83.04961	13.2
83.08605	2.1
85.06544	3.2
88.60170	2.1
91.05463	96.4
93.07023	100.0
95.04950	76.7
95.05521	4.7
95.08574	26.1
97.06499	8.8
103.05454	9.5
105.04502	3.2
105.07015	100.0
107.04940	12.4
107.08578	67.1
109.06512	17.1
109.10147	18.2
110.03201	2.2
113.52971	2.1
115.05464	14.4
116.06231	3.6
117.06989	37.3
119.08562	85.1
121.06439	5.3
121.10138	19.6
123.08040	3.1
123.11752	2.4
128.06210	5.3
129.06967	16.9
130.07762	9.2
131.08542	33.8
133.10118	51.6
135.08043	13.3
135.11685	4.1
137.09610	3.6
142.07764	5.5
143.08542	12.0
145.10132	28.4
147.08012	3.8
147.11661	5.2
149.09601	3.6
157.10165	3.5
159.11699	5.0
161.09666	4.1
163.11159	8.9
173.13255	4.3
176.73120	2.2
180.66609	3.1
221.90015	3.3
293.17300	3.7
310.39597	2.3
315.54578	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	334.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05508	11.7
57.07058	4.5
60.72499	0.4
65.03909	2.5
66.43326	0.4
67.05492	7.0
69.07053	7.6
70.06580	6.8
71.04960	2.1
79.05481	11.6
79.96619	0.5
81.07040	4.4
81.21484	0.5
83.08594	6.8
85.06532	100.0
91.05464	22.6
93.07026	80.9
95.04961	5.0
95.08585	3.1
103.05453	3.3
105.07017	12.0
107.04946	3.6
107.08582	67.0
109.06506	4.2
109.10153	5.2
115.05431	2.4
116.57661	0.5
117.06993	3.5
119.06044	2.2
119.08552	4.6
120.09376	0.6
121.06490	3.7
123.11649	0.6
124.05177	2.8
131.04895	2.9
132.05713	0.6
133.06432	2.3
133.10104	1.3
135.08063	0.8
135.10651	1.2
135.11679	34.1
137.05948	2.5
143.04916	0.7
145.06429	1.1
147.07996	0.9
150.06718	1.1
152.14343	0.9
159.08086	0.8
161.05920	3.3
161.09613	2.1
161.59096	0.5
162.06689	4.3
163.07498	1.2
164.08365	0.5
165.09088	3.7
173.09586	0.5
175.07538	6.5
176.08278	0.7
176.62399	0.6
177.09041	6.0
190.09851	0.6
205.12154	2.2
217.12248	2.5
231.13753	1.0
243.13652	0.8
341.93146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57019	0.4
55.01851	0.8
55.05501	1.9
55.68916	0.5
56.10381	0.4
57.03409	0.7
59.04988	0.8
61.02906	0.7
65.03934	0.9
67.05489	14.0
69.03423	0.9
69.07048	2.0
71.04974	39.2
79.05479	1.9
80.15920	0.4
80.78082	0.4
81.03395	0.5
81.07027	4.0
83.04969	1.2
83.08588	0.5
85.02893	5.3
85.06527	100.0
87.04477	0.7
91.05450	4.0
93.07021	11.6
95.04921	3.9
95.08583	7.3
95.31001	0.5
97.02850	1.7
97.06504	1.0
98.97571	0.5
99.04440	2.0
99.64851	0.4
105.07012	2.7
107.08595	2.4
109.06483	2.4
109.10139	5.1
111.04446	0.7
111.08070	0.5
113.09605	0.7
117.07009	0.5
119.08553	4.4
121.06500	0.8
121.10138	0.5
123.08045	0.7
131.08574	0.7
133.33675	0.5
135.08020	0.9
137.05951	2.0
137.09576	7.2
149.09654	0.7
151.07521	0.8
153.12724	0.6
154.13060	1.0
155.10638	4.0
159.08061	0.5
159.11696	0.6
161.09554	0.8
167.07036	0.9
168.07227	0.5
193.17007	0.5
195.72415	0.5
263.12711	0.7
281.13736	1.1
299.14816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01859	1.9
55.05502	8.9
55.98964	0.8
56.39050	0.8
57.03432	1.0
59.04990	1.2
63.91470	0.9
67.05503	8.2
69.03413	1.9
69.07050	11.3
71.04977	58.9
79.05466	7.9
81.07040	15.9
83.04952	6.2
83.08591	3.4
85.06528	2.0
87.04414	0.9
89.64051	0.9
91.05466	8.2
93.07014	9.1
95.04930	5.9
95.08598	7.7
95.09091	1.1
97.06512	3.3
99.04434	59.4
105.04490	0.8
105.07014	9.4
107.08575	11.5
109.06485	6.6
109.10134	4.6
111.04374	1.2
111.08071	3.4
113.05952	2.1
114.94469	0.8
115.07423	1.0
117.06973	0.9
119.08548	6.7
121.06526	1.6
121.10108	1.7
123.08008	1.7
123.11662	3.4
127.07520	4.6
127.11170	100.0
129.06956	1.6
131.08492	1.6
133.10081	3.9
135.08029	1.8
135.11653	1.4
137.02361	1.4
137.05928	1.6
137.09596	3.6
138.02644	1.1
145.10081	1.5
147.11685	1.0
151.11154	3.5
153.09044	1.2
159.11627	0.9
161.09557	3.5
163.11157	4.2
165.09073	8.2
167.06960	1.3
169.12196	5.5
189.09003	1.1
189.12740	1.7
191.10651	1.0
207.10095	5.0
221.15370	1.9
239.16362	1.5
239.62395	0.9
249.14757	5.8
267.16000	2.0
273.03558	1.2
274.04245	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	334.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42636	1.5
53.00311	1.8
53.03939	12.0
55.01865	6.5
55.05267	2.1
55.05507	39.5
56.96564	1.4
57.03421	10.0
58.09538	1.6
59.04995	6.9
59.64721	1.4
64.34162	1.5
65.03928	3.2
67.05496	51.9
69.03414	7.4
69.07059	17.2
71.04977	32.6
74.76336	1.8
79.05474	61.1
80.06277	2.2
81.07039	100.0
83.04971	18.1
83.08591	2.5
91.05466	64.7
93.07025	62.6
95.04943	29.3
95.08589	62.4
97.02897	2.2
97.06510	16.0
97.10165	2.0
99.04467	2.8
103.05446	11.4
105.07014	61.2
106.07797	4.3
107.04951	3.2
107.08581	59.8
108.09440	2.5
109.06503	33.9
109.10173	12.7
110.07265	8.2
110.79339	1.7
111.08079	7.5
115.05420	2.0
117.07006	14.4
119.08560	31.7
121.06492	3.8
121.10117	14.4
123.08024	13.7
123.11694	3.1
125.09602	10.6
128.06215	2.3
129.06981	7.1
130.07756	2.8
131.04932	14.3
131.08545	17.0
133.06468	2.7
133.10088	19.4
135.08054	3.8
135.11700	4.0
137.09622	2.6
142.07796	4.0
143.08537	7.3
144.09363	2.4
145.10124	11.3
147.11716	8.1
149.09630	3.1
157.10127	3.9
159.11684	9.0
173.13248	2.2
181.63275	1.7
248.40302	1.7
293.17139	9.8
334.17822	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	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03414	3.3
61.02917	4.4
64.66351	0.5
69.03416	10.2
70.18936	0.6
73.02892	2.6
73.12883	0.5
81.03387	4.6
85.02891	40.2
85.83591	0.5
87.04455	0.6
91.03909	1.2
91.05459	16.3
97.02864	10.0
99.04423	1.1
107.04935	0.6
109.02856	3.4
109.06506	1.0
119.04916	12.2
127.03893	5.2
137.05956	100.0
137.27640	0.5
145.04941	4.8
151.07539	0.9
155.07014	5.4
161.06013	0.5
163.06003	0.8
179.06998	1.3
180.08614	2.2
203.06895	0.7
225.64893	0.6
239.07408	0.6
245.08038	0.9
281.10300	0.7
305.48843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
56.54657	0.5
57.03420	3.2
58.44492	0.5
61.02919	5.3
69.03417	9.6
71.66227	0.5
73.02911	1.4
75.12089	0.6
81.03403	5.2
85.02891	43.7
91.03941	1.9
91.05463	16.4
97.02874	11.1
99.04448	0.6
109.02857	3.3
109.06474	0.7
119.04911	12.7
127.03909	3.2
130.06145	0.5
134.32480	0.6
137.05959	100.0
145.04944	5.5
155.06975	7.4
179.06987	1.3
180.08714	1.4
203.06999	0.6
221.08127	0.7
235.71840	0.7
245.08047	0.6
263.09128	1.0
302.03076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01857	5.9
55.05490	13.7
58.95189	3.1
59.04972	4.8
60.15458	2.5
67.05499	26.1
69.03409	7.6
69.07046	14.6
71.04960	26.2
79.05463	44.8
81.07033	30.8
83.04971	14.6
85.02898	4.8
85.06526	33.0
89.47159	3.4
90.82186	3.0
91.05460	54.6
93.07024	48.0
95.04926	30.3
95.08586	72.5
97.06516	36.7
99.04446	12.2
99.08047	4.3
105.07006	54.1
107.04942	42.6
107.08573	64.9
109.06480	30.1
109.10114	6.9
111.04417	3.5
111.08084	21.8
113.06017	4.8
115.05391	4.1
117.06989	25.4
119.04912	100.0
119.08576	38.6
121.06493	37.6
121.10114	5.9
123.04385	6.7
123.08046	42.9
125.05945	18.5
128.06223	4.0
129.06949	3.7
131.08530	31.7
133.10089	49.9
135.04356	4.0
135.08003	27.1
135.11691	3.7
136.07561	15.2
137.05988	4.2
137.09558	6.1
139.07523	20.1
142.07791	4.0
143.08565	14.2
145.06470	14.7
145.10104	14.0
147.04431	6.0
147.08037	27.2
147.11696	6.3
149.05949	13.8
149.09598	20.7
151.07524	5.4
153.05363	3.4
157.10078	4.4
159.07988	28.6
161.09589	39.3
163.07515	21.1
165.05444	20.8
165.09106	11.9
167.06996	58.8
171.07979	3.6
171.11661	4.0
173.13181	4.8
175.11203	14.6
177.09035	27.0
179.06909	4.1
179.10649	11.3
182.08147	3.9
189.09064	3.6
189.12666	6.1
191.07008	24.2
193.12151	6.3
201.12814	6.8
203.10641	15.9
205.08574	13.1
205.12177	24.5
209.26161	3.5
217.12186	5.4
219.13766	5.4
221.11664	5.7
231.09943	3.0
234.12955	3.6
235.13208	6.3
249.11101	6.1
253.14256	7.6
281.13773	4.1
299.14908	19.0
324.84705	3.1
349.47070	4.4
358.01816	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	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03944	1.5
55.05505	5.1
57.03437	0.9
57.07086	0.7
57.63998	0.9
59.04992	1.8
62.25126	1.0
64.87762	0.8
67.05489	2.0
69.03408	1.0
69.07059	7.8
71.04975	35.9
71.34629	0.8
73.06542	13.4
79.05473	10.0
81.07043	50.8
82.49672	0.8
83.08616	1.8
85.02899	8.2
87.01150	1.0
91.05454	4.0
92.09305	1.4
93.07026	31.1
95.04997	1.0
95.08611	6.9
97.06528	4.0
105.07036	1.5
107.08575	24.4
109.10146	5.2
122.03602	1.1
123.04417	1.5
135.11682	41.9
137.05966	16.9
153.12727	100.0
165.06886	0.8
167.07010	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	333.1904
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
51.52718	0.4
53.03931	1.0
55.01847	0.5
55.05507	5.7
57.03419	2.2
57.07053	1.1
61.02912	3.0
64.33401	0.5
67.05504	4.0
69.03414	5.1
69.06768	0.4
69.07063	7.1
71.04973	1.8
77.03865	0.7
79.05477	44.7
81.03398	3.2
81.07040	6.3
83.04987	0.6
83.08588	0.7
85.02892	21.5
88.75621	0.4
90.03341	0.5
91.03949	0.6
91.05461	12.4
92.05776	0.9
93.07024	81.4
93.18743	0.4
95.04948	4.8
95.08598	6.6
97.02873	5.3
97.06499	3.7
99.04400	0.8
99.52628	0.4
103.03991	0.5
105.04500	0.8
105.07018	3.9
107.04925	0.5
107.08582	70.9
108.08901	0.6
109.02856	2.2
109.06491	1.1
109.10143	2.1
117.07005	2.9
118.07351	1.0
119.08579	1.1
123.11677	0.7
125.13236	0.5
127.03884	3.5
129.06923	0.7
130.55524	0.5
133.10091	1.1
135.11674	100.0
137.05951	2.3
145.04936	3.0
153.12706	6.4
163.05969	0.8
167.06958	0.6
171.13794	2.6
171.63219	0.5
252.49757	0.5
318.59918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
52.66210	0.3
53.03925	1.5
54.82143	0.4
55.01862	0.5
55.05502	0.8
55.68128	0.3
57.03424	0.5
57.07058	0.3
57.79034	0.3
59.04984	1.5
65.03911	0.4
67.05492	5.7
69.03415	1.3
69.07040	1.8
70.58530	0.3
71.04965	1.6
77.03896	0.4
79.05470	6.7
80.89433	0.3
81.02928	0.7
81.03398	18.0
81.07027	5.2
83.04964	1.3
84.14648	0.4
85.06514	0.3
91.05452	6.2
93.07011	7.4
93.68054	0.4
95.04945	10.7
95.08591	2.6
97.06447	0.4
103.05446	48.6
105.07017	5.5
107.04924	0.8
107.08582	7.0
109.06487	1.5
109.10115	0.5
111.04423	0.6
111.08073	0.4
116.06183	0.6
119.08559	0.7
121.10117	4.3
123.08034	2.1
128.99747	0.4
131.04903	100.0
131.08524	3.8
132.05269	0.4
134.31158	0.3
136.02829	0.4
136.18745	0.4
137.09550	0.4
143.56192	0.3
149.05957	0.4
149.09596	5.6
167.10641	5.4
209.56342	0.4
252.41360	0.4
315.15848	3.3
333.16833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03942	3.2
55.01865	3.6
55.05510	2.9
57.03427	9.7
57.07070	20.4
59.04983	10.0
61.02913	15.7
67.05492	12.8
69.03417	40.7
69.07053	18.8
71.04977	4.1
71.94963	2.2
73.02904	3.1
73.12133	2.1
74.55885	2.2
79.05492	4.7
81.03384	17.3
81.07040	11.5
83.04971	3.5
85.02889	100.0
85.03364	4.4
85.06535	13.0
87.04500	3.0
87.10789	2.1
89.15485	2.3
91.03933	4.7
93.07030	6.4
95.08585	52.1
97.02882	33.8
97.06506	5.9
99.04437	6.0
99.08081	18.8
107.08590	11.8
109.02877	12.6
109.06525	10.1
109.10148	18.1
111.08072	5.3
113.09620	36.3
127.03902	15.1
127.11163	25.5
135.08107	2.7
135.11690	15.6
137.05960	15.8
143.27551	2.9
145.04935	15.8
145.05965	2.8
153.12732	54.3
155.14256	3.8
167.07018	6.2
171.13768	34.1
226.10957	3.3
270.10138	2.9
272.11621	3.4
301.11688	25.2
333.14481	3.5
333.18796	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	333.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03938	0.9
55.01873	0.4
55.05501	1.3
55.05722	0.1
59.04980	0.3
65.03932	0.7
67.05493	4.1
69.03426	0.3
69.07056	0.7
71.04962	0.3
77.03898	0.3
79.05475	3.1
81.03400	0.6
81.07027	2.1
83.04961	0.4
83.17577	0.2
85.06518	0.2
87.04441	0.3
87.77156	0.2
91.05470	3.1
93.07027	2.6
95.04935	2.4
95.08595	1.6
103.05447	49.7
105.04508	0.3
105.07011	1.4
107.08586	1.0
109.06506	0.6
109.10125	0.9
117.06979	0.3
119.08568	1.2
121.10098	0.2
123.11716	0.3
131.04901	100.0
133.10080	0.3
135.08037	0.2
137.09579	0.3
143.08440	0.2
149.05957	2.2
149.09604	0.3
176.50656	0.2
189.29434	0.2
315.15851	6.6
328.14755	0.2
333.16724	0.3
333.20255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
50.46062	0.4
51.02370	0.6
53.03949	4.9
54.81408	0.4
55.01862	2.1
55.05514	3.8
55.46905	0.4
55.55384	0.3
57.03428	0.4
67.05497	4.3
69.03420	1.7
69.07071	0.9
69.71584	0.4
71.00280	0.4
71.05003	0.5
72.67504	0.3
77.03917	0.4
79.05482	6.7
81.03399	2.8
81.07051	4.8
83.04971	3.4
83.08619	1.6
85.06552	0.4
91.05468	5.7
93.07035	4.8
95.04954	15.3
95.08603	3.0
97.02879	2.5
97.06542	0.8
99.04453	1.0
103.05459	5.5
105.03381	100.0
105.04526	3.4
105.07021	6.7
107.08575	3.7
109.06546	1.6
109.10108	0.8
111.04426	3.1
111.08083	0.5
119.08563	4.2
121.10156	0.9
123.04421	5.0
123.08073	0.5
125.09625	0.4
129.06926	0.5
131.04922	11.2
131.08548	1.6
133.10123	3.2
135.08070	0.5
137.09666	0.4
143.08612	0.5
145.10120	1.0
147.11713	3.2
147.86533	0.4
149.09607	0.9
151.11174	0.9
157.10101	0.6
163.11043	0.6
165.12766	2.5
171.11755	0.4
175.11067	0.7
193.12247	0.8
205.40968	0.4
311.80035	0.4
315.19351	0.6
333.20596	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	333.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01882	1.0
55.05501	3.1
57.13789	0.6
58.94474	0.5
59.04982	0.8
63.09382	0.6
65.03912	0.7
67.05487	6.9
69.03414	1.2
69.07039	2.3
70.40901	0.7
71.04974	1.5
72.14215	0.5
76.55655	0.9
79.05476	7.5
81.03402	5.6
81.07039	7.7
83.04951	2.4
83.08630	0.8
86.53780	0.6
90.22388	0.6
91.05473	9.4
93.07024	8.2
95.04953	10.3
95.08573	4.4
97.06524	3.4
99.04472	1.0
101.83591	0.6
103.05455	47.5
105.04548	0.8
105.07020	6.1
107.08591	6.9
109.06516	2.5
109.10146	2.6
114.36086	0.7
114.49603	0.6
119.08576	3.2
121.06498	0.8
121.10115	3.0
121.11073	0.5
123.08112	0.8
124.95824	0.7
125.06000	0.8
125.09590	0.6
126.06707	0.6
131.04909	100.0
131.08563	3.6
133.10075	1.3
135.07983	1.1
135.91109	0.6
137.05978	0.7
137.09608	2.6
145.10139	1.4
146.37106	0.6
149.09583	3.5
149.75697	0.7
165.01599	0.7
167.10655	4.0
175.11325	0.6
185.11630	1.1
187.54008	0.6
257.31729	0.6
333.16858	4.5
333.20221	2.0
358.29599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01852	4.8
57.03433	8.9
59.04977	2.7
61.02911	13.9
65.97925	1.3
69.03123	1.3
69.03420	21.3
71.04968	1.9
73.02893	6.3
75.53781	1.1
81.03421	10.1
85.02892	100.0
86.09679	1.2
87.04431	2.4
91.03934	1.9
91.05475	5.3
93.07031	7.2
94.06544	1.8
94.07339	1.3
97.02872	28.8
99.04434	1.7
103.03942	1.2
105.07008	1.7
107.04941	45.5
109.02863	10.5
119.04903	6.7
127.03912	17.6
129.07034	1.5
132.95848	1.5
135.08054	15.2
137.05971	1.9
144.48749	1.3
145.04951	18.7
145.06506	2.1
147.08098	1.5
150.96898	2.1
151.11119	1.5
153.09096	2.5
155.08568	1.6
163.06012	2.0
173.05968	5.3
180.08653	2.8
183.08122	1.8
201.09084	2.5
219.10168	13.0
243.10083	2.7
249.11142	1.5
261.11237	7.2
324.23187	1.2
333.09482	2.6
340.23868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84692	1.0
53.03942	1.3
55.01865	2.8
55.05488	5.7
56.96283	1.7
56.96556	37.4
57.07064	1.3
63.31445	1.2
67.05497	10.6
67.99096	1.1
69.07039	2.6
79.05477	10.3
80.02379	1.1
81.03394	2.4
81.07044	17.1
83.04956	5.8
85.06536	1.3
87.04417	2.0
91.05474	13.7
92.08669	2.0
93.07020	19.5
95.04958	10.8
95.08591	11.6
97.06505	1.2
98.97567	12.3
99.04387	1.3
103.05449	26.4
104.60831	1.2
105.07020	10.0
107.04955	2.7
107.08561	11.6
109.06454	4.4
109.10134	6.6
111.04381	1.2
111.08091	1.2
115.00686	1.2
116.98578	14.0
117.07028	2.8
119.08554	5.7
121.10119	6.8
121.89765	1.1
123.04362	1.5
123.08060	2.6
125.05924	1.4
131.04901	43.4
131.08554	6.2
133.06239	1.6
133.10107	7.0
134.99644	8.3
135.08011	1.8
135.11633	4.4
143.08536	2.3
145.10088	7.5
147.07983	2.2
147.11638	1.9
149.09581	8.1
153.00743	1.3
157.10085	1.3
159.07968	1.3
159.11603	2.5
161.09492	1.9
165.02150	2.8
167.10666	1.8
169.16090	1.3
178.03073	1.5
179.03711	1.4
181.01723	2.5
183.03265	21.7
183.06927	1.5
189.09009	1.6
193.01642	2.1
195.03275	1.3
196.04070	2.6
197.01225	1.6
197.04822	11.9
198.01961	4.9
199.02762	1.9
201.04309	32.2
201.07884	2.7
203.07431	1.3
203.10426	19.4
204.10728	12.9
209.04762	1.9
210.01933	2.5
211.02838	8.5
213.04282	2.5
215.05907	12.5
219.05138	3.9
221.08406	4.3
223.06407	6.0
227.05795	2.0
228.02914	1.8
229.03741	2.3
237.07924	23.8
239.09485	49.2
240.33646	1.3
249.07796	1.9
251.09366	5.0
253.07336	15.3
255.09029	8.5
257.10538	73.0
263.12561	2.9
264.12851	1.8
264.64194	1.4
269.10434	1.6
271.08560	10.5
273.11530	2.3
275.11530	6.6
291.12601	17.1
291.15665	6.3
292.16074	11.8
309.13672	100.0
309.32364	1.5
315.07477	1.4
315.19504	2.2
315.23087	1.6
327.14743	13.2
332.15228	2.3
333.13559	37.3
333.20352	7.1
351.14697	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	332.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.46198	1.4
55.01858	3.1
57.03421	7.4
59.04967	2.5
61.02912	13.2
69.03412	22.5
71.04978	2.8
73.02881	4.0
81.03395	8.4
81.07021	2.1
85.02889	100.0
86.09710	3.6
91.03893	3.6
97.02850	22.4
99.04436	2.6
107.04940	45.9
108.08107	2.3
109.02850	4.6
127.03906	13.1
135.08044	13.3
145.04985	18.0
145.05984	1.8
159.68126	1.9
173.05930	8.8
176.69144	1.8
180.08646	8.1
194.45836	1.8
219.10039	15.1
229.12219	1.9
243.10289	2.1
245.67923	1.9
246.46585	2.1
261.11093	2.7
333.09320	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	332.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
57.03429	1.9
61.02919	3.4
65.03935	0.7
67.05497	3.5
69.03418	11.7
71.05001	1.2
72.08134	4.1
73.02887	1.7
79.05490	3.9
80.04985	0.9
81.03427	3.3
81.07034	1.2
83.04982	0.9
85.02886	15.6
86.09682	1.4
87.04466	1.6
91.03974	1.0
91.05468	1.8
92.09381	1.1
93.07025	1.7
95.04945	3.2
96.04494	1.0
97.02865	7.7
99.04491	1.1
104.63401	0.8
105.07024	7.0
106.06548	3.8
107.08663	0.9
107.77538	0.8
108.04468	3.3
108.08104	86.0
109.02908	1.0
111.04441	4.1
117.07016	4.1
119.08556	5.8
121.06491	1.4
123.05531	10.1
123.06802	3.7
124.07576	19.4
127.03893	1.7
129.06963	1.8
131.08549	4.2
133.10097	1.5
134.05978	14.4
136.06143	11.5
136.07562	10.6
141.06966	1.2
142.07768	4.2
143.08556	6.5
144.09357	1.4
145.04932	1.1
145.06526	1.3
145.10117	8.2
147.08044	5.3
147.11653	1.9
152.03471	0.9
152.07047	63.3
156.09390	1.1
157.10101	13.1
159.08070	3.4
159.11629	9.0
160.12106	0.9
161.06023	1.1
161.09615	3.9
169.10085	8.8
170.04456	100.0
170.08231	7.6
171.08038	3.5
171.11700	1.7
172.08760	1.0
173.09541	8.9
175.11143	14.2
177.09070	1.5
182.21159	1.0
185.09584	21.0
187.11107	10.4
189.09111	11.2
191.10611	1.0
197.09619	4.5
199.11285	1.2
201.09091	1.8
203.10622	15.6
205.12234	2.0
210.97397	0.9
213.09033	14.0
215.10649	6.9
219.53835	0.9
221.11723	0.9
222.13887	0.9
231.10117	27.0
233.11684	6.3
243.11215	1.8
249.11159	2.0
251.12628	1.0
261.11407	5.1
267.12146	0.9
279.12170	12.2
279.53897	1.1
280.49728	0.9
282.13806	0.8
297.13187	7.8
314.12289	19.9
315.14349	14.8
332.10333	2.0
332.13397	33.7
332.19592	1.4
333.11108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03928	0.4
55.01879	0.4
57.03425	2.3
61.02925	2.3
63.84500	0.3
65.03941	0.5
67.05484	2.9
69.03419	6.4
71.03293	0.3
71.04953	0.3
73.02895	2.2
76.56772	0.3
79.05472	0.6
79.25002	0.3
81.00088	1.5
81.03399	2.2
81.07040	0.6
85.02411	0.5
85.02893	7.4
85.22133	0.3
87.04456	2.0
91.05463	0.4
92.04989	0.5
92.64749	0.4
96.08101	0.6
97.02885	3.4
99.04449	0.6
106.06538	4.6
108.08101	100.0
109.02860	0.7
110.63119	0.3
112.40551	0.3
113.10443	0.3
115.03868	0.4
123.06788	4.6
124.07561	19.9
127.03886	0.8
134.05989	13.8
136.07553	12.0
137.02664	0.8
137.04977	0.3
150.05499	0.4
151.55878	0.3
152.07045	66.9
154.08607	1.7
170.08099	4.9
176.36684	0.3
314.12296	18.5
332.13330	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	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.3
54.81355	0.3
57.03429	0.7
58.28566	0.3
61.02898	2.0
64.35589	0.3
69.03423	3.2
71.04966	0.4
73.02903	0.5
79.05468	2.3
81.03384	1.7
85.02895	11.2
87.24072	0.3
91.38317	0.3
95.04948	4.1
97.02863	3.1
107.04942	100.0
116.59521	0.3
127.03875	0.6
135.04398	16.0
145.05006	0.5
152.10645	0.5
153.05450	25.1
161.39438	0.3
163.31718	0.3
354.64493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98801	0.3
53.03930	0.7
55.01855	0.3
57.03439	2.9
61.02926	3.1
65.03912	0.8
67.05486	2.8
69.03415	9.0
73.02897	2.8
79.05475	0.6
81.00107	1.8
81.03395	2.4
81.05801	0.4
81.07046	0.4
85.02885	8.0
87.04457	2.2
88.69456	0.4
91.03915	0.5
93.05756	0.7
96.08111	0.9
97.02852	3.8
99.04448	0.9
106.06543	5.2
108.08102	100.0
109.02854	0.5
117.05504	0.6
123.06791	5.2
124.07561	18.8
127.03876	1.8
134.05992	13.4
135.51794	0.4
136.07547	10.8
137.02719	0.5
137.08269	0.5
152.07045	67.1
153.07547	0.9
154.08623	2.0
159.90701	0.4
161.83849	0.4
170.04401	0.9
170.08067	6.0
170.09262	0.5
314.12280	19.8
332.13336	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	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01866	2.6
56.80962	1.2
57.03423	6.8
61.02911	14.6
61.45911	1.4
67.87389	1.4
69.03410	26.3
71.04977	2.6
71.53738	1.3
73.02886	6.7
81.03392	11.4
85.02888	100.0
91.03930	3.0
95.04948	1.7
96.39927	1.4
97.02868	32.9
99.04449	2.4
107.04286	2.5
107.04942	39.6
108.08670	1.6
109.02869	9.1
111.14709	1.4
116.25112	1.6
121.07852	1.6
123.04388	7.7
123.45398	1.3
126.63241	1.4
127.03860	17.4
129.88719	1.3
135.04359	19.2
137.05974	2.0
145.04941	21.3
151.74539	1.4
153.05396	14.7
163.05981	5.7
170.08151	3.4
180.08670	3.2
219.06378	1.9
301.06897	1.6
332.13327	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14375	0.7
56.96554	54.4
58.34391	0.7
67.05484	1.8
69.07045	1.1
70.91162	0.7
71.95233	1.3
79.05466	1.2
80.05885	1.1
81.07034	4.0
84.95998	0.9
88.07616	2.1
88.95002	0.8
91.05441	1.8
93.07014	2.1
94.33381	0.9
94.34057	0.8
94.56252	0.8
95.04960	1.1
95.08582	1.5
98.63391	0.9
98.97533	3.4
103.00703	1.7
105.07011	1.2
107.08578	1.5
115.00671	10.9
116.98581	1.7
119.08555	1.1
121.01743	1.3
133.01701	9.9
133.10088	1.2
134.99620	1.3
140.81406	0.9
145.10023	0.9
151.02745	1.1
219.07039	1.0
221.70137	0.9
223.06348	1.3
223.09964	1.8
225.07846	1.0
233.04692	1.2
237.07942	1.0
237.11458	1.4
241.11044	2.1
245.08420	1.1
247.09990	1.7
249.07834	1.0
251.05911	2.0
251.09525	2.0
263.09503	8.2
263.12711	1.4
265.08578	1.2
265.11121	12.2
265.14557	6.4
266.08252	1.6
267.09167	1.4
267.12665	3.4
269.10550	3.6
277.07373	0.9
279.09238	1.8
281.10504	4.3
283.12097	11.5
283.15732	12.5
285.10233	1.4
285.13541	1.1
291.12631	5.1
295.08636	1.3
297.10065	1.8
297.13498	1.0
309.13675	63.1
317.09921	1.0
327.14725	100.0
332.15222	1.9
332.18887	1.0
332.31595	3.8
345.16034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
51.08025	1.1
53.00303	1.3
55.05503	16.6
57.03422	8.0
57.07070	100.0
59.39024	1.0
61.56031	1.4
67.05492	33.2
68.02876	1.2
69.07050	15.7
71.08617	51.5
75.04424	1.4
75.79949	1.2
79.05468	6.9
81.06596	2.0
81.07044	36.5
83.04977	1.6
83.08605	18.1
85.10167	25.3
89.06013	1.8
91.05463	7.6
93.07029	10.0
95.04932	2.5
95.08595	40.6
97.10162	6.4
97.48132	1.3
99.11736	1.9
103.05444	5.1
105.07022	6.3
107.04876	1.4
107.08578	4.5
109.06489	2.1
109.10141	18.5
111.08053	1.2
119.08586	2.2
121.06440	4.5
123.11687	6.8
123.78483	1.3
128.19423	1.2
131.04904	11.6
133.10097	4.7
137.13252	1.7
191.99686	1.4
239.23686	15.1
257.24634	2.0
285.97034	1.4
313.27332	42.2
331.18860	3.8
331.22534	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	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41285	1.5
55.01887	2.9
57.03437	8.4
61.02917	15.3
66.00465	1.5
69.03423	25.3
71.04975	2.2
71.55670	1.7
73.02921	2.1
73.04957	1.4
79.05483	2.0
81.02970	1.4
81.03408	11.0
85.02894	100.0
87.46049	1.6
91.03937	3.8
91.05488	1.9
95.04960	8.1
97.02874	23.5
99.04455	3.8
107.04945	51.4
107.05623	2.8
109.02890	8.1
120.11728	1.7
123.04396	14.2
127.03934	16.0
135.04396	50.8
135.05383	2.7
137.05995	7.3
145.04939	20.3
153.05470	22.3
161.39412	1.7
170.08122	6.4
180.08713	7.3
332.13330	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	331.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.5
53.03942	1.1
55.05504	2.1
57.07067	7.6
57.88123	0.2
61.26241	0.2
61.70923	0.2
65.03905	0.4
67.05492	8.7
69.07055	9.0
69.65595	0.3
74.21296	0.3
74.76807	0.3
78.39937	0.2
79.05473	10.9
79.05900	0.5
81.07037	100.0
83.08604	0.6
91.05466	1.8
93.03396	0.3
93.07015	2.9
95.04953	0.6
95.08582	36.6
103.05437	4.4
105.04482	0.3
105.06987	2.2
107.04927	4.5
107.08584	1.3
108.09385	0.3
109.10147	3.2
114.11091	0.3
115.05446	1.2
119.08559	0.3
121.10092	0.4
124.05206	0.3
131.04933	1.2
135.08038	3.6
137.12161	0.6
137.13229	17.6
139.03873	2.8
143.52652	0.3
152.38736	0.3
154.06227	14.2
163.07512	6.2
167.07005	3.5
180.07825	1.4
195.10127	6.4
207.10149	0.4
238.99231	0.3
331.22742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63454	0.4
53.00309	0.4
53.03923	0.7
55.05509	2.3
57.07065	4.6
67.05493	7.7
69.07055	12.6
78.04694	3.4
79.05476	12.1
81.07040	97.7
83.08611	2.1
91.05451	1.1
92.09290	0.5
92.10251	0.4
93.07014	1.8
95.04944	0.7
95.08588	30.3
95.09209	1.1
105.07019	2.4
106.04160	2.7
107.04947	8.8
107.08580	1.7
109.10135	3.6
115.05436	0.8
121.06421	0.7
121.10133	2.3
123.04401	9.4
123.11713	0.8
124.05202	4.0
135.08028	2.3
137.13235	14.7
151.03912	2.0
152.04651	3.5
159.08049	0.6
163.07516	4.5
167.07008	100.0
177.16270	0.7
180.07848	2.2
181.08563	3.2
187.07440	0.8
189.09148	0.8
189.37091	0.5
195.10187	2.8
206.09373	0.9
219.10123	1.2
221.11691	0.9
227.97040	0.5
233.11667	1.9
247.13214	0.5
248.14113	0.6
331.22672	4.4
340.51794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
52.49777	0.2
52.55875	0.2
53.03926	0.6
55.05499	0.5
59.04986	0.2
65.34682	0.2
67.05480	1.7
69.77587	0.2
71.04953	0.3
75.97577	0.2
77.03913	0.5
79.05477	11.3
81.03438	0.3
81.07035	0.6
83.04966	0.5
87.56292	0.2
91.05465	12.0
93.07025	11.5
95.04961	3.0
95.08584	1.6
103.05450	47.8
105.03384	2.0
105.04494	0.3
105.07019	4.6
107.04890	0.3
107.08571	0.4
109.10127	1.8
109.95804	0.3
111.04428	0.6
115.05483	0.3
117.06981	2.8
119.08556	25.5
121.10137	4.1
123.04411	7.7
123.08054	1.1
131.04904	100.0
133.78615	0.3
137.09595	1.4
139.03899	0.3
145.10060	0.2
147.08025	8.3
149.09598	0.4
165.09081	11.9
183.10123	9.8
295.90839	0.2
313.14310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20405	0.3
51.82343	0.3
53.03940	1.4
54.82099	0.3
55.05507	0.6
56.32115	0.3
57.57846	0.3
60.32400	0.3
66.04716	0.4
67.05503	3.2
69.07072	0.5
70.88960	0.3
71.04955	0.4
72.51746	0.3
77.03917	0.5
77.14069	0.3
79.05479	3.0
81.07036	2.9
82.21710	0.4
91.05474	4.3
93.07030	5.4
95.04939	2.9
95.08582	3.5
103.05447	51.6
105.04517	0.3
105.07000	2.7
107.04947	0.4
107.08567	1.5
109.06514	0.7
109.10150	2.1
111.04413	1.3
117.06989	0.8
117.68960	0.3
119.08553	5.2
119.29159	0.3
121.10098	0.5
123.08032	0.3
131.04904	100.0
137.09578	1.6
149.05998	0.8
165.09076	2.4
181.10008	0.4
260.70221	0.4
277.79434	0.3
313.14224	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	3.5
59.04991	7.1
61.02914	2.8
64.33644	3.2
67.05490	20.2
69.03414	4.6
76.99271	3.0
78.08891	2.9
79.05487	7.8
81.07044	14.1
81.74906	2.9
83.04950	3.3
85.02898	11.8
89.88004	3.3
91.05463	66.5
93.07018	28.7
94.04199	5.3
95.04944	46.2
105.07012	21.1
105.92992	2.9
107.04938	13.4
107.08588	5.9
109.06513	39.7
109.10146	82.6
115.05491	3.9
119.04935	34.8
121.06483	16.4
122.03627	12.0
123.08058	3.1
123.11678	6.5
128.06224	3.5
129.07016	26.5
131.04945	7.4
133.10077	14.3
135.08054	5.6
136.05173	4.4
137.05974	100.0
149.06001	7.4
151.03893	5.1
151.07544	93.8
151.11182	39.2
152.06215	4.4
157.06499	16.1
161.05945	30.6
161.09642	4.1
163.07542	17.2
165.06941	24.5
166.07750	4.1
167.08553	41.3
169.12245	6.0
174.06744	6.5
178.07796	16.1
179.07013	15.9
180.05797	3.5
181.06473	13.8
182.07190	5.9
189.09122	25.4
193.06471	7.5
193.10112	6.5
194.07285	4.2
195.08038	60.6
197.06049	7.2
207.10098	3.3
209.06001	3.6
209.09619	4.6
210.06776	16.1
211.07413	5.3
212.08383	4.6
221.05981	13.6
221.09608	15.9
223.07512	17.7
224.08316	11.3
225.05531	5.9
225.07570	18.0
225.09335	6.2
227.10654	48.0
238.06241	13.3
239.06927	3.7
244.58701	3.1
253.08542	15.8
253.12224	18.0
255.10136	27.8
267.10184	11.7
270.09058	3.5
285.11194	14.2
287.12686	33.8
313.14200	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45861	1.3
51.62001	1.2
53.39606	1.2
59.05703	1.1
68.03562	1.4
69.03391	1.7
76.55622	1.7
79.05485	2.8
81.07042	3.6
81.56993	1.7
91.05452	42.3
94.04152	2.6
95.04928	7.5
100.69890	1.6
103.05434	8.4
105.07000	7.7
107.04931	6.5
109.06483	7.0
117.07008	1.9
119.04922	23.9
121.06512	11.1
122.03601	11.7
123.08011	1.5
128.06184	6.8
129.06987	23.6
131.04890	9.8
133.06404	2.4
135.08025	6.5
136.05142	2.9
137.05957	100.0
145.06456	3.3
146.03596	2.7
148.05164	1.9
149.05951	12.7
151.03923	6.9
151.07521	72.1
152.06139	3.4
153.06937	2.3
157.06461	12.1
158.56396	1.4
161.05963	18.6
161.09651	2.1
163.07498	15.9
165.06982	21.5
165.09012	3.2
166.07877	4.9
167.08505	31.6
169.06358	2.4
174.06749	6.6
175.07515	2.8
177.06935	3.3
178.07741	8.1
179.08484	6.0
181.06476	8.3
182.07260	8.1
183.08139	2.0
189.09077	26.9
191.08524	2.2
193.06438	9.7
193.08301	1.4
193.10043	11.1
194.07224	3.2
195.08015	46.5
196.08800	2.8
197.05945	9.0
197.09509	1.6
203.08456	2.0
205.06352	2.1
206.07198	2.0
209.06094	1.9
209.09489	2.2
210.06729	15.6
211.07509	3.5
212.08231	8.4
221.05992	15.2
221.09570	15.5
223.07509	17.9
224.08307	8.1
225.05371	2.0
225.09138	15.0
227.06966	2.3
227.10583	36.1
234.06645	2.2
237.09044	1.7
238.06229	8.3
238.09729	1.6
239.06981	3.6
240.07910	2.7
241.08601	1.9
248.49799	1.8
249.09023	3.8
252.07721	2.7
253.08540	19.9
253.12131	19.4
255.06467	1.9
255.07611	2.3
255.10109	28.8
267.10071	6.8
269.07956	6.7
272.10287	2.7
281.11551	2.7
284.10422	1.9
285.11194	13.1
287.12714	38.3
301.14438	2.3
313.14337	8.5
331.15277	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99321	0.8
55.01868	1.6
57.25253	0.9
65.03925	1.2
67.05495	1.6
78.74525	0.9
79.05487	5.2
81.07043	7.3
85.91637	1.0
91.05466	46.9
93.07026	5.1
94.04175	5.9
95.04950	7.1
95.08614	1.0
95.83257	1.2
100.18663	1.1
103.05458	6.8
105.07021	12.6
107.04928	10.2
107.08570	2.1
109.06519	6.7
111.04444	1.1
114.82105	1.1
115.05428	4.0
117.06990	1.9
119.04928	21.1
120.38600	1.4
121.06483	7.6
122.03621	12.8
123.08011	1.1
125.66633	0.9
126.64323	1.0
128.06183	7.8
129.06992	23.3
131.04883	10.2
131.08554	1.8
133.06415	2.0
133.10170	1.3
134.46338	1.1
135.08058	7.7
136.05185	4.3
137.05963	100.0
139.49803	1.0
143.04890	1.5
145.06470	5.0
147.04401	1.7
148.05215	2.0
149.05984	10.7
151.03891	5.1
151.07536	71.1
152.06213	6.4
153.06978	2.5
155.04787	1.1
157.06445	17.1
160.05153	1.0
161.05936	17.1
161.09604	2.4
162.06725	1.0
163.07526	17.3
165.06964	18.0
165.09073	4.0
166.07748	5.7
167.07162	2.3
167.08528	28.5
169.06517	2.6
171.08070	1.2
174.06708	8.2
175.07602	3.8
177.06900	2.1
178.07759	11.4
179.08542	1.2
181.06444	5.6
182.07303	5.8
183.08064	1.2
184.08847	2.3
187.07680	1.2
189.09068	22.6
192.09305	2.6
193.06477	12.0
193.08014	1.4
193.10126	11.8
194.07320	4.4
195.08023	33.9
196.08838	2.3
197.05956	9.3
197.09631	2.0
199.07507	1.4
203.08586	4.3
205.06509	2.2
206.07159	1.7
207.10098	2.3
209.06015	4.0
209.09628	5.7
210.06680	14.8
211.07568	6.8
212.08299	6.2
219.08167	1.2
220.08755	1.4
221.05942	10.9
221.09541	16.4
223.07503	13.8
224.08321	7.9
225.05447	2.0
225.09079	14.7
227.07013	5.0
227.10629	27.0
234.06506	1.4
237.09009	2.6
238.06244	9.3
238.09746	1.8
239.06923	1.8
240.07773	5.4
241.08594	2.0
249.09087	6.8
251.07283	1.3
253.08549	15.6
253.12225	14.6
254.09074	1.3
255.10114	22.7
267.10077	8.1
269.08047	7.5
269.12088	1.7
270.08725	1.7
272.10547	2.0
281.11707	2.5
285.11203	14.9
287.12708	32.3
313.14227	11.2
331.15308	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
61.28410	2.0
65.82575	2.0
79.05490	3.5
85.47964	2.1
91.05460	45.8
91.64383	2.0
93.07836	2.0
94.04202	2.2
95.04957	12.6
103.05447	9.4
103.87247	2.0
105.07006	10.5
107.04951	4.8
109.06512	4.3
115.05447	3.5
119.04911	27.2
121.06498	9.3
122.03603	15.8
128.06236	10.7
129.06964	23.3
131.04907	8.8
131.08583	2.6
133.06519	2.4
135.08044	9.4
137.05962	100.0
145.06534	2.7
147.04422	3.1
149.05959	10.4
151.03839	3.0
151.07529	86.3
152.06229	4.3
153.07031	2.5
157.06468	11.8
161.05960	18.2
163.07513	18.7
165.05739	2.7
165.06900	19.1
165.09131	2.1
166.07770	3.5
167.08534	33.8
174.06787	11.1
175.07486	3.5
177.06929	2.8
178.07787	10.6
181.06464	9.1
182.07321	4.4
185.29485	2.3
189.09045	24.0
192.09332	3.2
193.06381	15.6
193.10077	19.5
194.07382	2.7
195.08025	43.6
196.08813	2.9
197.06006	9.7
203.08533	3.1
206.07304	4.2
207.08038	3.3
207.10092	3.3
209.09564	4.3
210.06732	14.7
211.07584	4.9
212.08305	5.0
217.47678	2.5
221.05956	14.5
221.09624	14.4
223.07516	14.7
224.08345	3.9
225.09018	21.2
227.07098	3.1
227.10629	44.0
238.06262	12.6
240.07846	8.9
249.09096	4.8
252.07820	2.4
253.08464	19.0
253.12283	15.0
255.10025	29.6
267.10150	11.1
269.07922	4.5
281.11505	2.9
285.11163	15.1
287.12723	44.6
313.14355	12.7
331.15463	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
54.62681	0.8
55.01860	1.4
56.22020	0.8
65.03938	1.9
65.33852	1.0
79.05479	4.8
81.07047	4.0
91.05460	45.8
91.06003	2.1
92.08782	1.1
92.09247	1.1
94.04166	5.6
95.04963	8.1
103.05450	6.2
105.07029	8.2
107.04939	10.1
107.37222	0.9
108.05793	1.3
109.06503	5.5
111.04417	0.9
115.05457	2.2
117.07040	3.4
119.04923	26.6
119.08607	1.2
119.38055	0.9
121.06483	9.5
122.03635	11.4
128.06210	7.0
129.06970	22.0
130.85291	0.9
131.04916	7.6
131.08592	0.9
132.05763	1.0
133.06461	2.0
133.10121	1.0
135.07993	8.1
136.05185	5.5
137.05959	100.0
143.04961	1.1
145.06485	5.5
146.03645	1.7
146.07294	1.7
147.08217	1.0
149.05951	10.0
150.06769	1.9
151.03923	5.7
151.07520	78.8
152.06183	8.8
153.06989	2.1
157.06458	13.4
158.07248	1.1
161.05911	14.4
161.09601	1.4
162.06783	1.0
163.03775	1.3
163.07512	19.4
165.06982	20.2
165.08397	1.1
165.09077	3.9
165.11133	0.9
166.07806	6.2
167.08531	25.1
169.06490	5.1
174.06714	8.4
175.07568	5.8
177.06996	4.6
177.09119	2.1
178.07767	10.8
179.08534	2.1
181.06427	8.5
182.07219	9.0
184.08871	1.7
187.07462	1.0
189.09062	25.6
191.08553	2.0
192.09346	6.4
193.06456	11.2
193.10121	10.1
194.07242	4.7
195.08012	42.2
196.08844	1.6
197.05923	8.8
197.09615	2.3
199.07515	0.9
202.07782	1.2
203.08620	2.1
206.07130	3.0
207.04413	1.0
207.08107	1.3
207.10080	2.0
208.08949	1.2
209.06006	4.2
209.09671	4.6
210.06737	16.3
211.07558	4.6
212.08244	8.2
219.08055	1.8
220.78320	1.1
221.05971	12.6
221.09520	18.2
222.06766	1.6
223.07503	16.7
224.08377	7.4
225.05530	2.2
225.09056	13.0
227.07016	5.4
227.10629	38.5
237.05446	2.3
237.08969	6.7
238.06107	10.5
238.09918	1.6
239.06972	3.4
239.10663	2.1
240.07776	5.0
241.08521	1.8
249.09119	5.9
252.07753	2.0
253.08524	18.8
253.12173	15.7
254.09302	1.5
255.06371	1.1
255.07217	1.2
255.10088	26.6
265.08719	1.1
267.10172	7.3
269.08102	8.0
269.11420	0.9
272.10278	3.5
281.11722	5.8
285.11111	18.3
287.12726	35.5
298.11838	1.3
301.14288	1.4
313.14249	10.1
331.15359	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93449	0.4
53.03942	0.5
55.01861	1.1
65.03922	2.3
67.05498	1.0
69.03437	0.7
71.05001	0.5
79.05466	3.1
81.03381	0.6
81.07032	3.8
83.04963	0.6
86.07620	0.6
86.93206	0.5
91.05466	42.0
92.87747	0.6
93.07010	1.4
94.04185	6.1
95.04943	8.7
95.08623	0.6
103.05453	6.8
105.07030	5.3
107.04950	8.8
107.08612	1.4
109.06503	6.5
111.04446	0.7
112.19598	0.5
115.05436	3.7
117.06994	3.2
119.04924	25.9
119.05820	1.0
119.08554	3.4
121.06488	8.3
122.03645	12.2
123.04375	0.8
123.08076	1.0
128.06192	6.8
129.06050	0.9
129.06989	19.7
131.04926	7.1
131.08543	2.3
133.06476	1.4
134.03607	0.9
135.04414	1.1
135.08017	7.5
136.05183	5.8
137.05962	100.0
143.04887	1.4
145.06442	4.9
146.03645	2.6
146.07283	0.9
147.04437	1.3
147.08022	0.7
148.05142	2.5
149.05969	10.9
150.06784	1.1
151.03879	3.5
151.07532	69.8
152.06175	7.3
153.06978	3.6
154.07745	1.0
156.05707	0.9
157.06470	11.6
158.07222	0.7
160.05113	0.6
161.05960	16.8
161.09607	3.5
162.06741	2.4
163.03873	1.1
163.07530	15.4
165.06975	20.8
165.09056	4.8
166.07791	4.3
167.07146	1.1
167.08536	28.9
169.06554	4.2
174.06749	9.0
175.01654	0.6
175.07567	4.6
177.05537	0.9
177.06969	3.8
177.09123	2.5
178.07764	11.8
179.08513	3.7
181.06429	7.1
181.10117	1.2
182.07291	6.3
183.08151	1.2
184.08775	3.0
187.07498	0.6
189.09085	21.6
191.08560	1.0
192.09309	4.6
193.06491	10.9
193.10104	12.7
194.07272	4.9
195.08034	34.2
196.08768	2.5
197.05956	8.4
197.09534	0.7
198.06740	0.9
199.07544	0.9
202.07764	2.6
203.08543	4.2
205.06476	3.1
206.07245	3.6
207.08055	2.5
207.10159	4.2
209.06050	4.3
209.09584	4.4
210.06750	17.3
210.10294	1.1
211.07515	5.6
212.08269	7.1
213.09167	0.7
219.08055	2.3
220.08810	3.4
221.05965	12.9
221.09532	16.9
222.06696	0.8
223.07544	15.5
224.08299	6.6
225.05496	1.4
225.09050	15.8
227.07294	4.2
227.10638	31.2
231.08011	1.2
234.06752	2.6
235.07578	0.9
237.05371	2.7
237.09120	3.7
238.06198	7.0
238.09879	3.1
239.07039	3.0
239.10545	0.8
240.07823	4.2
241.08554	2.5
241.12250	0.9
242.05600	0.6
249.09097	6.8
251.06946	1.0
252.07837	3.1
253.08557	17.1
253.12207	16.5
254.09312	2.3
255.06439	3.3
255.10110	26.1
266.09348	1.0
267.10156	7.6
269.08060	6.3
269.11600	0.9
270.08838	3.1
272.10339	3.9
279.39102	0.7
281.11761	4.7
284.10358	2.2
285.11163	15.4
285.14145	0.8
287.12735	35.6
298.11880	1.0
301.14487	0.8
313.14224	12.1
325.24942	0.7
331.15402	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	331.1284
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
57.07069	0.8
59.57806	0.6
63.03018	0.5
64.33215	0.7
67.05509	1.2
67.82394	0.6
69.03400	3.9
69.07043	0.6
71.04970	1.5
79.05482	1.0
79.73811	0.5
81.03387	0.8
81.07041	6.6
83.04935	0.7
85.02888	6.0
91.05461	2.7
92.64043	0.8
93.07021	4.4
95.04961	1.7
95.08572	3.1
97.02833	0.9
105.07027	5.5
107.08600	6.2
109.06493	6.4
109.10143	3.2
120.08051	0.9
123.04404	2.4
123.11674	4.4
131.05034	0.8
133.10098	4.9
137.05934	1.6
151.07530	1.2
151.11163	12.8
161.09554	0.8
169.12206	4.3
196.09929	2.7
197.10727	1.1
211.12160	2.9
224.09372	0.8
225.10167	3.8
226.11028	4.4
238.10916	0.9
239.11737	62.4
240.12485	2.6
252.08897	0.9
253.09779	0.8
254.10664	0.7
266.10385	6.6
267.11221	100.0
268.11832	0.8
285.12250	3.9
295.10712	45.2
313.11774	41.4
331.12814	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	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01862	1.7
55.05505	2.8
56.96544	2.2
57.07037	0.5
59.04977	0.5
64.53999	0.4
65.03902	0.4
65.75969	0.3
67.05495	5.4
69.03415	0.6
69.07058	3.0
71.04964	2.5
78.95637	0.5
79.05473	5.1
81.03394	1.7
81.07040	9.3
83.04979	2.7
83.08610	0.7
86.77563	0.4
91.04950	0.7
91.05466	9.3
92.05777	0.9
93.07021	13.0
94.07330	0.9
95.04941	6.7
95.08602	4.7
97.02825	0.4
97.06487	0.6
103.05447	45.7
105.03364	0.6
105.04492	0.4
105.07018	6.5
106.07340	0.4
107.04935	0.6
107.08569	6.2
108.08899	0.4
108.24525	0.4
109.02837	0.5
109.06502	2.0
109.10138	6.0
111.04436	0.6
111.08051	2.2
112.10126	0.4
117.06995	2.0
119.08547	7.9
121.06472	0.7
121.10130	2.5
123.08048	1.9
125.76266	0.4
128.06158	0.6
129.07016	1.8
131.04901	100.0
131.08519	2.1
133.06418	0.4
133.10075	3.5
135.08069	0.6
135.11688	1.5
137.05940	0.5
137.09569	2.4
142.07793	0.5
143.08551	1.6
145.10091	0.9
147.08038	2.0
147.11685	0.9
149.05962	0.9
149.09625	0.5
151.07494	0.9
157.10071	0.9
159.11702	0.5
161.09596	0.9
163.11177	0.5
165.09096	2.7
169.10048	0.5
171.11647	0.5
173.13203	0.4
175.11208	0.6
199.14734	0.5
209.77507	0.4
261.10043	1.5
262.10385	0.8
313.14157	3.4
313.21487	0.5
331.18814	1.9
331.22437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97746	1.3
53.03930	7.8
55.01864	12.2
55.05507	62.3
57.03424	16.0
57.07058	10.5
58.95003	1.5
59.04992	1.9
59.89314	1.3
67.03053	1.3
67.05491	74.5
67.28929	1.5
67.62084	1.5
69.03419	12.1
69.07051	41.1
70.60739	1.6
71.04973	10.5
71.08112	1.3
71.08605	9.4
79.05476	57.9
79.14854	1.5
81.03417	2.4
81.07041	100.0
82.08038	1.6
83.04973	24.5
83.08615	15.9
85.06514	7.0
88.43898	1.5
91.05460	39.7
93.07018	76.8
95.04942	11.0
95.05505	1.8
95.08588	50.1
97.06525	18.2
97.10155	7.2
99.08059	6.3
105.07011	24.5
107.08582	34.6
109.06511	7.0
109.10137	13.2
111.08076	7.3
112.88780	1.5
117.06985	9.4
119.08535	19.6
121.06481	3.1
121.10117	14.4
123.08068	2.7
125.09581	2.7
129.07004	2.5
131.04872	2.1
131.08536	13.9
133.10121	21.5
135.11681	21.2
137.09622	3.6
137.13193	2.0
139.11145	23.1
143.08574	2.7
145.10054	2.3
147.11664	8.4
149.13242	12.0
151.11215	7.1
157.10092	2.2
159.11667	10.9
161.13187	3.3
165.12810	2.6
177.12849	6.4
193.12280	2.6
195.13776	29.5
212.90897	1.9
213.14903	2.1
249.22113	3.0
277.21552	34.1
295.22644	24.8
315.73962	2.1
330.33676	3.3
334.76065	1.9
351.45282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3364
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
50.74728	0.2
54.63239	0.2
54.81733	0.2
55.05503	0.5
56.56250	0.2
57.07067	11.5
58.06586	1.4
64.33382	0.2
65.37862	0.2
65.89390	0.2
67.90404	0.2
68.05023	0.3
69.07058	0.4
70.06580	18.1
71.08616	4.9
81.07033	0.3
84.15578	0.2
85.10169	2.1
88.07614	21.0
93.07026	0.3
99.25360	0.3
102.09161	6.3
106.08646	9.6
131.04904	0.4
137.86459	0.2
145.89549	0.3
214.33636	0.3
225.91508	0.3
268.45392	0.3
286.30936	0.9
312.32544	9.6
330.33600	100.0
331.33704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31459	1.3
59.08323	1.0
64.33574	1.2
69.03403	6.9
91.05444	2.1
92.64535	1.4
93.07063	1.4
98.97574	1.3
105.07015	10.4
107.08572	1.3
117.06989	2.4
119.08533	5.3
121.06524	1.9
123.04339	1.5
124.16436	1.5
129.07036	5.2
131.08511	1.8
133.10077	5.9
142.07759	3.3
143.08528	2.4
145.06439	2.4
145.10078	15.2
147.08002	1.8
147.11638	6.4
155.08536	2.1
157.10052	9.4
159.08032	3.1
161.09592	5.7
169.04675	100.0
169.10112	1.6
171.08002	3.0
173.09555	19.7
175.11122	25.3
185.04193	12.9
185.09570	1.7
189.09094	1.4
193.55339	1.3
215.10628	6.0
221.11699	7.1
259.09549	2.3
269.34567	1.3
277.10675	20.9
313.12692	3.1
331.09897	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	331.1022
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.03920	0.1
54.01282	0.1
54.50586	0.1
55.01846	0.3
57.03423	0.2
59.25280	0.2
60.33103	0.1
61.02889	0.3
64.52259	0.1
67.01862	1.4
67.05474	0.3
68.99766	0.6
69.03404	0.9
70.06563	0.2
72.08138	0.8
81.03400	0.3
81.07019	0.3
83.11988	0.2
85.02897	3.2
86.09698	0.2
91.05471	1.5
92.05779	0.2
93.07030	0.2
95.04951	1.5
97.02866	0.8
105.07007	1.0
107.08611	0.2
109.02842	0.3
109.06496	0.2
123.04406	11.9
127.03902	4.7
131.23709	0.1
133.06462	2.7
133.10045	0.2
134.06810	0.8
137.05928	0.3
141.95364	0.2
150.20694	0.1
151.03883	24.9
151.07555	0.7
152.07883	0.3
168.46298	0.1
169.04930	100.0
231.74373	0.1
232.48770	0.1
262.58765	0.2
331.04449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14663	1.3
53.00290	1.9
53.03930	2.9
55.01855	8.0
55.05506	48.4
56.96561	1.9
57.03440	12.7
57.07070	12.8
59.04995	3.4
67.05495	100.0
69.03426	3.6
69.07063	41.9
70.06576	2.1
71.04977	7.6
71.08622	3.2
79.05479	46.4
81.03400	9.2
81.07040	83.4
83.04974	21.4
83.08608	19.8
85.06522	6.7
87.04460	18.4
88.07610	8.4
91.05472	36.8
93.07027	55.4
95.04966	17.6
95.08593	45.3
97.06525	10.9
97.10175	3.6
99.08064	2.0
105.07022	27.9
107.04958	2.1
107.08585	25.8
109.06504	9.1
109.10150	41.9
111.08075	8.5
113.05939	2.0
117.07023	2.1
119.08579	22.6
121.10133	16.9
123.08047	3.6
123.11716	6.8
123.84417	2.2
125.09602	6.9
129.06978	3.4
131.04927	2.3
131.08525	7.1
133.10088	12.8
135.11679	3.8
137.09618	8.4
139.11168	9.7
143.08458	3.0
145.10150	2.9
147.11703	7.9
149.13222	2.9
151.11118	2.2
155.10655	6.7
157.04179	1.7
159.11671	2.3
161.13199	3.6
165.12662	2.4
173.11725	23.2
176.53084	1.5
193.12222	7.0
211.13344	5.8
222.27440	1.8
249.22137	1.9
277.21558	22.0
283.07050	1.6
289.14078	2.7
295.22653	21.7
330.29977	11.9
330.33517	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	330.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83387	1.0
52.53345	0.9
53.03936	7.3
55.01863	6.6
55.05507	23.3
56.96584	1.1
57.03431	1.3
57.07058	5.6
57.72591	0.9
58.05327	1.0
59.04986	1.4
62.63998	1.1
64.35448	1.0
64.39756	0.9
65.03938	2.1
65.33118	1.2
67.05492	28.3
67.28358	1.0
69.03415	2.9
69.07050	30.3
70.07387	1.7
71.04979	50.3
71.08610	1.4
79.05006	1.3
79.05475	41.6
81.03426	1.5
81.07039	87.4
82.07384	5.0
83.04969	5.4
83.08595	5.4
85.06515	3.7
91.05458	60.8
92.09522	1.2
93.07024	100.0
94.07310	1.6
95.04938	18.7
95.08584	42.5
96.08919	1.2
97.06501	10.0
97.10137	1.8
99.08093	1.7
103.05489	1.9
105.04556	1.4
105.07012	48.6
107.08579	83.6
109.06499	11.3
109.10150	17.6
111.08060	13.5
111.11707	5.6
117.07003	9.3
119.08553	22.5
120.94082	1.1
121.06507	2.1
121.10123	30.3
123.11679	2.8
125.09622	6.9
125.63737	1.2
127.07462	1.7
128.06177	2.4
129.06982	6.2
130.07719	1.4
131.08556	19.8
133.10089	14.7
135.08067	1.4
135.11647	4.6
137.09645	1.9
137.13254	2.5
142.07710	2.4
143.08546	5.7
144.09334	1.9
145.10121	13.8
147.08038	1.7
147.11700	5.0
149.09618	1.8
149.13248	30.4
151.11194	2.1
155.14297	1.4
157.10139	2.6
159.11646	10.4
161.09628	1.6
161.13387	1.5
167.14297	4.6
173.13303	2.6
175.14825	1.4
184.63693	1.3
188.58389	1.4
201.16364	7.8
217.15967	1.4
219.17484	5.1
272.29944	1.2
339.51172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19060	1.2
52.11311	1.0
53.03942	2.9
55.01862	6.5
55.05506	17.3
56.33649	1.1
56.96561	1.6
57.07064	3.2
58.30554	1.3
59.04989	8.1
63.21455	1.3
65.03925	1.5
65.48492	1.3
67.05496	31.6
67.60979	1.4
69.03406	1.5
69.06711	1.8
69.07056	24.4
71.04982	6.2
75.28210	1.3
75.72242	1.1
77.06861	1.2
79.05476	23.6
81.03410	1.6
81.07037	57.6
83.04967	13.7
83.08601	18.0
84.02907	1.2
85.06523	3.2
85.43797	1.4
91.05460	49.7
92.08645	1.8
93.07021	100.0
95.04948	13.5
95.08582	34.1
97.06519	6.1
103.05441	9.8
105.07007	57.8
107.04978	2.7
107.08575	35.7
109.06491	12.2
109.10138	33.6
111.08054	25.4
113.05959	1.3
115.05393	2.1
117.06995	29.0
119.08551	40.6
121.06470	7.2
121.10126	14.3
123.08039	5.6
123.11695	5.7
125.09697	1.6
128.06189	2.2
129.06975	8.8
130.07774	9.4
131.04906	13.7
131.08537	46.1
133.06477	1.5
133.10094	24.3
135.08047	2.7
135.11678	6.8
137.09604	9.1
142.07718	1.7
143.08559	6.4
144.09340	3.2
145.10101	61.7
147.08063	2.2
147.11713	6.6
149.09569	6.7
149.13190	2.8
150.91759	1.4
151.11169	8.3
157.10124	5.9
158.10849	1.5
159.11681	29.9
161.13234	5.9
163.11166	7.4
167.85989	1.5
171.11673	1.8
173.13239	7.6
175.11057	1.9
175.14774	3.0
179.81387	1.6
183.10091	1.7
201.16354	32.5
205.15909	1.5
219.17389	20.2
235.16910	2.0
261.18491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05305	1.4
55.05508	23.7
56.31707	1.3
57.00174	1.5
57.07061	12.9
64.42647	1.3
67.05496	30.3
69.07056	49.5
69.78590	1.4
71.08604	2.1
75.52563	1.7
79.05471	8.6
81.07041	88.9
83.08604	25.8
85.06535	6.6
93.07032	16.2
95.04970	1.8
95.08590	100.0
97.10143	14.8
99.08060	2.3
107.08564	13.3
109.10136	50.0
109.70106	1.6
111.11726	11.0
114.93065	1.4
121.10130	8.3
123.11674	23.0
131.04860	2.0
135.11688	2.5
137.13235	8.1
143.14278	2.1
145.35289	1.6
149.13268	11.0
151.14844	6.0
163.14804	3.1
165.16370	1.9
173.15894	1.6
183.10147	1.6
275.27298	2.5
293.28397	10.5
333.99915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.58122	0.6
55.01865	1.2
55.05508	13.5
57.07065	9.2
57.16149	0.6
59.04982	1.1
61.66789	0.7
67.05494	15.0
67.48144	0.6
69.03426	1.0
69.07055	44.0
71.04993	1.4
71.08618	5.1
75.39260	0.8
79.05476	16.5
81.07041	100.0
83.04955	1.5
83.08604	9.6
85.06528	3.4
91.05450	7.5
92.05784	0.8
93.07021	29.8
94.07326	1.0
95.04950	4.8
95.08588	39.9
97.06504	5.9
97.10146	3.6
98.82507	0.9
100.80093	0.7
105.07018	5.0
107.08581	17.5
109.06503	1.6
109.10139	14.2
111.08066	9.8
111.11702	23.4
119.08562	1.2
121.10130	14.6
123.11701	9.8
125.09697	1.1
131.04918	1.7
131.08533	1.5
133.10127	1.0
135.11676	3.7
137.13231	17.2
139.11131	1.0
139.57184	0.8
143.08549	1.1
145.10007	0.9
149.13243	13.9
155.14262	7.7
155.78534	0.8
159.11633	1.0
163.14745	1.5
167.14311	1.1
275.27264	3.9
293.28317	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	330.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01869	4.2
57.03437	20.7
57.03677	2.8
59.04992	6.8
61.02915	42.2
67.05493	3.2
69.03413	25.5
69.07044	3.0
69.23997	1.7
71.04974	22.2
73.02899	38.2
73.06536	3.0
75.04452	2.0
81.03416	4.1
85.02890	49.2
85.06573	1.8
87.04443	21.5
91.03900	1.9
94.06568	7.6
97.02872	28.3
97.06509	2.2
99.04439	2.8
103.03898	2.1
105.05489	52.8
106.06509	1.8
107.26886	1.7
109.02862	4.0
110.41423	1.6
115.03928	26.2
115.07545	12.1
119.85194	1.9
122.06032	3.8
127.03870	9.9
133.04947	60.2
135.81602	1.9
136.06209	3.6
145.04945	8.0
150.05495	100.0
151.06015	23.3
152.84579	1.8
153.07877	2.3
163.06023	7.1
168.06544	13.8
168.10204	3.9
295.10251	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	330.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.49986	1.2
55.01863	13.1
57.03429	44.4
58.44590	1.3
59.04982	6.8
61.02911	20.8
69.03074	1.9
69.03418	38.1
71.01334	2.4
71.04972	6.6
73.02483	2.4
73.02900	88.9
81.03391	6.6
85.02893	100.0
87.04452	19.3
91.03918	2.0
97.02869	39.8
99.04431	2.9
103.03931	5.5
105.05499	10.0
109.02846	6.2
115.03917	48.0
117.05459	9.2
127.03906	11.2
133.04936	76.5
145.04926	13.3
151.06000	13.0
154.80518	1.2
156.67986	1.3
161.37308	1.2
163.06013	7.7
250.54881	1.4
295.10150	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	329.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05505	27.7
56.96550	1.5
57.07067	19.3
63.13800	0.8
67.05492	33.9
69.03407	2.0
69.07054	77.3
71.04970	1.2
71.08618	8.6
71.39494	0.8
71.65351	0.8
79.05474	16.7
81.07038	100.0
82.07340	0.9
83.04971	1.5
83.08605	38.8
85.06532	9.6
85.10141	1.2
91.05452	7.6
93.07027	28.7
95.04945	4.2
95.08584	91.3
97.06503	2.2
97.10153	22.8
99.04445	1.3
99.08062	4.9
105.07021	6.3
107.08570	22.9
109.06496	1.4
109.10145	53.7
111.08074	5.6
111.11706	21.4
119.08591	4.1
121.10123	13.0
123.08104	1.1
123.11677	34.5
125.09595	3.5
125.13255	5.1
130.37587	0.9
131.04912	1.2
131.08606	1.2
133.10106	2.1
135.11646	10.3
137.05983	1.5
137.13255	10.3
139.11192	1.9
139.14783	1.3
141.12627	0.9
143.08551	1.5
145.10138	3.5
149.05972	1.2
149.09639	1.0
149.13243	25.0
151.14819	5.0
153.12714	2.2
155.14352	0.8
161.09744	0.9
163.14760	8.6
165.16344	1.8
167.14290	4.0
172.33160	1.0
177.16348	1.7
179.17868	3.8
191.17915	1.3
193.19499	2.2
205.19551	0.9
217.21724	1.0
219.20979	1.2
249.25620	3.3
258.27951	1.0
275.27307	7.6
293.28326	18.8
311.29443	1.8
329.13351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54767	1.2
53.03933	7.7
55.01864	1.8
55.05503	18.4
56.96549	1.3
57.07059	1.9
67.05486	14.9
69.07055	11.4
70.80524	1.3
76.29573	1.3
76.45937	1.7
77.10398	1.8
78.04661	1.8
79.05470	27.1
81.07033	26.7
83.05007	1.5
83.08588	2.1
91.05458	53.0
93.07020	100.0
95.04927	13.3
95.08595	12.0
103.05410	5.8
104.06152	1.8
105.07012	31.3
106.04140	1.8
107.04945	15.7
107.08579	88.2
107.09297	3.4
109.06516	8.7
109.10149	13.6
115.05417	3.0
117.06978	8.1
119.06030	3.0
119.08547	15.2
121.06493	2.0
121.10095	7.0
123.04399	6.8
124.05175	3.3
128.06123	2.0
129.06972	3.8
131.04919	5.6
131.08534	3.6
133.06454	6.4
133.10077	12.7
135.08000	3.7
135.11668	38.7
143.08458	2.7
145.06468	1.8
145.10114	6.3
147.08063	2.6
147.11676	3.2
149.13147	1.7
151.03990	1.9
155.08551	2.2
157.06429	2.4
159.08031	2.5
159.11609	2.1
161.05975	2.0
161.09573	2.2
163.07454	1.9
167.06998	89.1
167.08408	3.6
171.08075	2.7
173.09679	2.2
175.07498	2.8
175.14734	3.1
181.08633	1.8
181.10115	2.9
192.07808	7.5
193.08568	6.6
195.10112	2.3
197.09637	2.0
201.16403	1.8
207.10147	7.9
213.12708	2.4
219.09978	2.7
230.05965	1.7
231.10049	2.8
232.35336	1.9
241.12230	2.6
273.14651	3.1
328.32086	2.7
329.21121	11.7
329.32199	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	329.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46880	0.7
57.77362	0.8
61.02935	0.8
65.76260	0.8
68.91555	0.9
69.03412	0.9
74.22787	0.7
75.67838	0.8
85.02865	1.6
91.05463	1.2
92.64220	0.8
95.10368	0.8
104.96832	0.8
110.18560	0.8
113.34850	0.8
116.98552	1.0
117.04626	0.8
120.08062	1.2
123.04431	1.2
135.04465	0.9
149.11861	1.0
167.06824	3.4
167.86627	0.9
173.09544	1.1
180.08781	1.2
201.09140	1.4
207.46349	0.8
219.10120	1.5
247.09688	1.3
265.10648	2.0
311.11063	1.0
329.12015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01870	1.4
55.05511	21.7
57.07069	2.3
65.03907	2.0
67.05494	12.1
69.07061	13.7
70.06586	1.9
78.04665	2.9
79.05473	26.2
81.07046	21.8
90.67558	1.3
91.04896	1.8
91.05460	50.4
92.09396	1.7
93.07024	100.0
94.07336	1.5
95.04974	15.5
95.08568	11.9
100.05853	1.5
103.05449	5.5
105.04505	1.9
105.07016	34.5
107.04919	16.1
107.08581	92.1
109.06499	3.3
109.10138	9.5
111.08047	5.7
115.05436	6.9
117.06990	3.1
119.08566	15.7
121.06457	2.0
121.10125	5.8
123.04446	9.6
123.11647	1.8
124.05138	2.2
127.05857	1.5
128.06186	2.1
129.06975	5.7
131.04887	5.6
131.08537	3.1
133.06512	6.3
133.10103	11.3
135.08026	5.6
135.11671	38.6
137.06020	1.8
141.06973	1.5
143.08539	1.9
145.06490	2.1
145.10107	5.0
147.08064	2.3
149.05949	1.7
149.09572	1.9
151.07445	1.4
152.04648	2.9
157.06441	2.5
159.08032	5.1
159.11658	2.3
161.05954	2.2
161.09569	1.7
163.07607	2.6
165.09103	6.1
167.07008	89.8
171.08017	6.1
175.07472	5.7
175.14806	7.1
181.08585	4.9
181.10020	1.8
183.07982	1.8
187.07561	1.7
189.09052	2.4
192.07819	2.9
193.08578	8.7
195.10123	2.4
205.12262	2.0
207.10109	7.6
213.12737	1.9
221.11807	1.8
231.10275	1.3
233.11617	1.6
241.12177	6.7
259.13275	1.5
261.14838	1.9
270.14459	1.5
273.14807	2.5
285.44135	1.8
328.32019	5.5
329.21002	10.0
329.24518	2.9
329.32364	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	329.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.8
53.03944	4.7
54.49475	0.9
55.01879	1.0
55.05503	20.7
57.07067	1.1
65.03933	2.2
67.05492	12.3
69.07069	12.1
78.04695	2.0
79.03234	1.0
79.05473	27.6
81.03393	1.5
81.07029	16.2
91.05458	56.1
93.07021	100.0
95.04955	17.1
95.08583	7.5
103.05464	2.7
105.04497	2.2
105.07017	33.0
106.04173	1.3
107.04939	20.2
107.08576	97.1
109.06497	9.4
109.10142	11.1
115.05450	5.2
117.07017	6.3
119.04860	1.1
119.06058	2.4
119.08543	16.6
120.09390	1.8
121.10107	6.4
123.04416	6.8
123.11713	1.6
124.05172	4.3
128.06201	1.1
129.07018	5.2
131.04933	5.9
131.08563	4.9
132.05736	1.7
133.06480	4.5
133.10120	7.3
135.08049	5.1
135.11665	36.4
137.05986	1.3
143.08493	1.1
144.05705	1.5
145.06519	1.7
145.10117	1.3
147.08037	2.2
148.05327	1.2
149.13153	1.1
152.04622	1.2
156.05913	1.2
157.06476	2.2
159.08047	2.0
161.05927	2.4
161.09612	1.6
161.13280	1.3
163.07471	5.3
165.09045	2.2
167.07005	87.8
169.10054	1.6
171.08083	5.9
173.05977	1.1
173.09593	1.3
175.07500	7.6
175.14758	1.9
180.07805	2.2
181.08574	5.6
181.10072	2.3
187.07492	1.5
187.11234	1.6
189.09117	2.3
192.07814	11.7
193.08551	10.9
195.10187	1.9
205.12257	4.7
207.10091	8.9
213.12761	1.4
219.10068	2.6
221.11679	2.5
227.10802	1.3
231.10144	1.6
233.11679	1.7
241.12202	7.1
245.11627	1.7
247.13193	1.6
273.14832	4.4
297.18356	1.7
328.31802	1.3
329.20978	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	328.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83896	0.3
51.02367	0.7
53.00342	0.3
53.03946	6.1
54.82196	0.4
55.01868	9.5
55.05268	0.5
55.05509	8.9
57.07067	0.8
59.04998	1.0
62.93456	0.3
65.03925	0.9
67.05491	6.5
69.03412	0.8
69.07057	3.7
70.06570	1.8
75.04453	0.7
79.05481	10.2
81.03410	0.4
81.07039	13.0
83.04958	1.8
83.08604	5.0
85.06522	1.7
87.65068	0.4
88.07584	1.5
88.13533	0.4
90.78026	0.4
91.05464	31.5
93.07024	100.0
95.04947	11.0
95.08587	2.0
97.06512	2.5
98.03664	1.9
103.05448	0.4
105.04529	2.9
105.07029	5.0
106.08645	0.7
107.08585	5.8
109.06512	3.7
109.07170	0.4
109.10142	2.5
111.08070	42.0
117.07040	0.6
117.44113	0.4
119.08585	0.8
121.06491	4.7
121.10117	1.7
123.08066	1.9
125.09620	0.8
131.92879	0.4
133.10115	8.0
135.08015	0.8
135.11690	2.9
137.09628	1.0
149.09605	4.2
183.10091	0.5
222.80591	0.5
223.52170	0.5
239.60641	0.4
259.63440	0.4
328.21207	0.6
328.32101	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	328.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67302	0.4
53.03940	5.1
53.04138	0.5
55.01866	9.2
55.05507	6.5
65.03915	0.6
66.57034	0.5
67.05492	4.3
69.03405	0.9
69.07047	2.9
73.14993	0.5
75.04458	0.9
79.05476	6.6
81.07040	11.3
83.04927	0.7
83.08617	4.7
85.06535	2.2
88.07598	0.7
89.19170	0.4
91.05463	30.3
93.07024	100.0
95.04948	11.8
95.08513	0.5
97.06526	0.9
98.03649	1.1
105.04517	2.1
105.07011	4.2
106.08683	0.9
107.04945	0.7
107.08561	3.8
109.06535	3.3
109.10152	0.9
111.08067	39.1
117.06966	0.5
119.08558	1.6
121.06487	1.9
121.10105	2.0
122.53971	0.5
123.08103	0.6
125.09621	0.7
128.10716	0.5
133.10106	7.2
135.11717	0.6
137.09601	0.5
149.09621	3.2
159.11644	0.5
166.56360	0.5
179.21848	0.5
203.90636	0.6
310.31183	0.5
328.32007	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	328.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
52.17490	0.7
52.85084	0.8
53.01998	0.7
53.03935	4.5
55.01870	8.3
55.05505	10.2
56.96558	1.8
57.07074	1.6
59.04996	5.3
64.18824	0.8
65.03954	1.2
67.05501	8.8
69.03408	5.3
69.07062	5.9
71.04980	4.3
79.05486	11.4
81.07040	22.9
83.04963	6.7
83.08601	5.2
85.02898	2.1
85.06528	6.1
91.05465	31.3
93.07029	100.0
93.09296	1.0
95.04951	12.6
95.08595	17.2
97.06528	5.9
99.04436	4.8
99.08090	1.2
105.07025	15.6
106.07373	1.0
107.08583	17.0
109.06523	7.1
109.10143	2.2
111.08073	30.3
115.28471	1.2
117.07031	1.6
119.08581	9.3
121.06506	3.7
121.09327	1.1
121.10139	5.9
123.08054	79.8
123.11706	1.6
125.05991	1.1
125.09657	2.0
129.06963	1.1
131.08578	7.6
133.10110	4.8
135.08040	2.4
135.11687	6.5
141.09082	30.5
143.08545	1.3
144.09375	1.0
145.10132	5.9
147.11670	3.9
149.09570	2.1
157.10133	1.8
159.11705	3.9
161.09584	1.4
166.34113	1.0
173.13164	1.8
175.11179	1.5
187.14755	2.0
189.12621	1.3
191.14273	1.8
205.15955	1.6
215.14333	2.2
233.15405	4.6
293.17422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	3.6
53.03943	20.3
55.01885	5.9
55.05505	37.0
56.96568	2.8
57.03423	3.2
57.07070	2.0
59.04985	6.6
63.05219	1.6
65.03924	3.3
67.05492	44.3
69.03407	3.6
69.07048	19.6
71.04973	10.7
73.06551	2.3
74.74786	1.7
75.16084	1.7
76.56564	1.6
79.05477	54.9
81.03414	4.3
81.07043	91.8
83.04963	26.0
83.08610	4.1
91.05460	100.0
91.06002	3.7
92.08676	2.4
93.07025	78.3
95.04952	45.4
95.08588	38.2
97.06522	10.3
99.04474	1.8
105.04509	10.8
105.07016	49.4
105.07678	1.8
107.04944	2.8
107.08589	23.8
109.06509	21.1
109.10145	16.3
109.15209	1.8
111.08084	10.4
115.05434	3.3
115.35971	1.8
116.06177	1.7
117.07011	13.5
119.08558	23.6
121.06546	2.9
121.10130	10.6
123.08046	8.0
125.09650	2.4
128.06187	3.2
129.07004	2.6
130.07799	2.9
131.08571	7.7
133.06444	3.0
133.10139	17.0
135.08073	6.4
135.11685	8.4
137.09627	4.4
141.09082	3.5
145.10124	11.9
147.08028	2.2
147.11674	9.9
147.18349	1.9
149.09628	2.5
149.13266	3.2
159.11700	3.5
163.11229	2.0
175.11119	2.2
275.20013	18.9
293.21127	13.0
293.24240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
54.81470	0.3
55.01861	0.2
55.05509	0.2
57.03420	1.5
57.07069	2.8
59.04984	0.6
61.02909	1.5
63.72936	0.2
67.05490	4.5
68.25053	0.3
69.03417	2.3
69.07059	0.5
71.04973	1.6
73.02903	0.6
75.14535	0.2
81.03416	0.5
83.04961	0.3
85.02901	6.2
85.06530	100.0
87.04449	1.0
88.97086	0.2
90.88979	0.2
92.08666	0.9
95.04921	1.9
97.02879	2.2
99.04415	0.4
101.06004	0.4
103.07555	3.2
109.02887	0.3
113.05991	6.6
127.03905	1.1
131.07018	13.5
136.04031	0.3
145.04916	0.3
148.07526	0.3
149.08080	14.2
166.08623	0.4
332.41882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1752
Annotation	Cropodine
Peak:m/z	Relative Intensity
51.51573	0.4
56.96562	3.6
57.03416	0.7
57.88680	0.4
67.05490	0.5
69.03423	0.9
71.04961	0.5
73.85735	0.4
74.97590	0.7
79.05470	1.0
81.07042	0.7
85.02898	2.3
89.06001	0.7
91.05455	3.8
92.64188	0.7
93.06986	0.7
97.02858	0.6
105.07000	3.2
106.06557	4.5
107.08574	2.6
116.98578	1.1
118.06528	0.5
120.08076	0.9
129.06981	0.6
131.08551	7.1
132.08073	2.1
133.08836	7.0
134.09702	0.7
134.99637	0.7
135.10382	2.6
136.07555	1.2
148.11191	100.0
149.11983	0.5
150.12761	37.1
151.09912	8.2
154.03674	0.5
161.04848	0.5
166.12242	84.1
265.10791	0.6
283.11710	0.8
328.17484	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.4
55.01861	0.4
56.96560	0.7
57.03430	2.5
59.04990	31.4
61.02910	0.9
68.91479	0.4
69.03432	3.8
70.06590	0.5
71.24316	0.5
73.02915	0.6
73.06539	100.0
75.60099	0.4
81.03418	0.9
85.02892	11.5
86.09708	1.0
87.42583	0.4
93.07043	0.5
95.08635	0.5
97.02898	3.0
98.98499	0.5
103.05450	0.7
109.02858	0.8
116.07131	0.8
116.98590	0.5
117.09091	3.5
123.08050	0.4
127.03905	0.6
131.04912	5.7
131.10674	4.3
139.03906	2.3
140.58954	0.4
148.03989	0.8
149.05977	3.3
149.11711	24.6
159.11639	0.5
310.09967	0.9
311.11215	2.0
327.17944	0.6
328.18036	8.6
329.11981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01866	0.7
55.05506	24.3
56.26257	0.7
57.07067	18.0
60.60294	0.7
61.02911	0.8
65.03934	1.0
67.05141	1.7
67.05494	45.7
69.07055	41.3
69.07368	0.8
69.07442	0.8
71.04962	1.1
71.08617	11.2
79.05474	32.1
81.03425	0.9
81.07037	91.8
83.08598	22.6
85.06537	1.9
85.10157	4.2
91.05459	20.7
93.07021	54.0
93.20996	0.8
95.04966	6.9
95.08586	100.0
97.06535	1.6
97.10140	12.6
99.08123	0.9
104.68159	0.8
105.07018	35.4
107.08578	33.1
109.06493	5.1
109.10143	44.5
111.08051	1.7
111.11713	6.3
119.08557	22.1
121.10117	22.6
123.08047	6.3
123.11697	16.2
125.09627	0.9
125.13199	1.5
129.12671	0.8
133.10097	22.7
135.11656	19.7
137.09567	8.7
137.13234	5.8
137.21092	0.8
139.11263	0.9
145.10106	1.3
147.11664	21.8
149.13237	12.9
151.11121	1.5
151.14784	3.1
155.10693	4.1
161.13251	12.7
163.14789	7.9
165.12746	4.0
165.16400	1.6
169.12183	1.0
172.18903	0.9
175.14835	6.2
177.16379	3.2
179.17950	1.6
189.16388	6.2
190.60875	0.9
191.17958	3.4
194.31139	0.8
203.17975	3.6
217.19524	3.6
247.24207	1.5
273.25714	25.7
279.26675	1.8
289.18524	0.8
291.26770	15.3
309.27866	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	328.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25649	1.1
55.05481	2.1
73.16228	1.4
79.05471	2.8
87.79558	1.5
91.05470	14.5
93.07047	2.0
103.05408	1.9
104.29540	1.5
105.07012	32.8
106.10548	1.6
106.61131	1.4
115.05397	2.9
117.06999	25.1
117.07773	2.3
119.08538	10.5
121.06474	3.6
128.06239	2.2
129.05484	2.6
129.07002	21.8
130.07779	2.5
131.04927	1.9
131.08551	36.4
133.06511	2.4
133.10101	37.9
141.06970	9.8
142.07759	45.3
143.08517	8.8
144.09283	11.0
145.06488	1.9
145.10110	14.6
146.07248	8.8
155.08510	5.8
157.06535	2.0
157.10101	60.5
159.04410	2.0
159.08032	42.3
159.11642	14.7
161.09593	53.2
167.08562	2.3
171.07974	3.7
173.09616	8.8
175.11157	7.7
177.05431	6.1
177.09093	12.6
181.84639	1.4
183.07967	2.5
185.09567	35.4
187.07503	8.9
189.09048	3.3
199.07562	3.6
201.09059	10.2
203.10612	9.4
203.60645	1.6
205.05124	11.3
205.08557	90.0
215.07025	15.2
216.26471	1.5
217.08525	2.6
219.10117	28.0
223.05977	2.4
227.06862	1.7
229.08537	8.1
233.08058	11.7
245.08072	2.6
247.09589	69.0
251.08984	1.7
263.09045	3.6
265.10654	62.7
275.06171	3.3
275.09073	65.5
293.10092	13.2
311.11185	100.0
328.14059	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	327.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.5
79.05495	1.5
81.07038	4.7
91.05450	1.4
93.07028	2.2
95.04961	2.0
97.06522	1.3
105.03377	2.5
105.06995	2.5
106.76698	1.1
108.43282	1.2
119.08640	1.6
131.04912	1.6
131.08481	1.6
132.66927	1.3
137.05945	2.8
141.05240	2.2
159.20789	1.0
163.04243	1.1
163.07562	1.2
211.09395	100.0
215.48648	1.4
309.16812	6.1
327.17743	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63289	0.8
52.63587	0.8
61.41349	1.1
68.93446	1.0
69.07043	1.1
76.06303	1.0
79.05488	1.4
81.07011	1.9
91.05411	2.1
93.07033	2.1
95.08550	1.3
105.07010	4.2
107.08596	1.8
133.10132	1.7
139.07715	1.0
157.10057	1.3
171.11697	1.1
180.38536	1.1
216.26183	1.0
326.37695	1.3
327.22876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05507	3.8
55.28310	0.7
56.96560	1.7
59.06112	3.9
67.05503	3.8
69.03406	1.6
69.07053	2.2
71.04984	0.9
79.05481	5.0
81.07047	12.5
83.04988	8.3
83.08614	1.1
86.55605	0.8
91.05460	5.0
93.07029	10.7
95.04940	3.8
95.08585	5.9
98.97573	1.8
99.04408	1.0
101.06022	1.4
105.07042	8.0
107.08562	7.0
109.06505	2.1
109.10172	1.0
116.98675	1.0
119.08559	5.9
119.37345	0.9
121.06496	1.8
121.10152	1.6
123.08048	1.1
129.06923	1.1
131.08591	1.9
133.10110	1.8
134.99626	1.6
135.08038	1.6
135.11719	1.3
139.07495	1.0
141.06985	1.2
145.10168	1.6
147.11690	1.7
149.13367	1.0
152.06183	0.9
152.82227	0.9
153.06937	2.1
155.08539	4.6
157.10123	1.9
161.09563	1.2
165.06946	10.1
166.07820	1.2
167.08644	3.2
168.05702	2.2
169.06361	1.6
169.10135	0.9
175.11142	1.0
178.07736	3.5
179.08525	4.3
181.06541	1.5
182.07265	1.8
183.08067	12.1
185.05966	1.4
191.08566	3.5
192.09300	2.0
193.06494	6.1
194.07324	4.4
195.08061	4.8
196.05179	30.6
197.05974	14.1
197.09595	1.3
202.07767	1.7
205.06493	1.0
206.07288	1.7
207.04396	46.7
207.08109	5.3
207.11688	1.2
208.08736	1.1
209.05884	1.1
209.09644	1.7
210.06790	5.8
211.07526	40.9
213.05447	2.0
214.05910	1.0
219.08093	2.2
220.08780	4.3
221.05937	14.7
221.09541	1.1
222.06796	4.5
223.07466	7.6
224.04729	2.1
224.08360	1.0
225.05569	1.0
225.09048	8.9
226.09729	4.9
227.03410	7.7
227.07094	1.5
228.07692	1.0
230.05592	1.2
234.06706	1.8
235.07520	3.8
235.11148	7.1
237.09151	3.5
238.09758	1.2
239.06999	90.8
242.05701	26.8
242.08057	1.7
243.10089	4.5
248.08205	5.2
251.07089	1.2
253.08536	10.8
254.09286	12.1
255.10141	4.7
256.07233	1.6
257.08041	97.0
263.10629	10.7
265.08545	1.5
266.09396	1.4
267.10153	2.0
267.13556	1.1
269.11832	1.2
271.09592	32.1
285.11084	2.1
286.11957	100.0
295.13455	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	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52623	0.5
55.01859	0.8
55.54274	0.5
55.96657	0.8
58.10423	0.5
62.11295	0.7
63.10019	0.6
79.05476	3.1
80.04697	0.6
81.87992	0.6
85.02910	0.7
91.05465	4.1
91.46287	0.6
94.04185	3.3
95.04953	0.8
103.04825	1.3
103.05451	17.4
105.07028	10.0
107.04942	3.1
109.06531	3.6
115.05431	1.3
116.21867	0.6
117.07011	1.5
119.08529	0.7
121.06481	6.0
122.03648	9.6
123.08077	0.8
128.06215	1.1
129.07001	0.7
131.04909	19.7
133.06470	23.3
135.08043	10.0
137.05960	100.0
143.04951	1.1
145.06476	8.6
147.08020	1.1
151.07539	9.3
157.06490	1.5
160.05173	0.7
163.07515	29.1
171.08043	1.1
175.07530	3.3
177.09088	0.8
187.07550	1.3
189.09244	1.0
202.07742	0.8
211.09395	3.2
220.08890	0.9
235.04155	0.7
235.11176	2.9
241.10384	4.1
245.09613	1.2
263.10770	2.9
295.13263	5.8
327.17953	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.54705	0.3
54.03987	0.3
55.01859	0.6
56.35845	0.3
65.10957	0.4
67.05477	0.6
70.57426	0.4
79.05468	2.1
81.07018	0.7
91.05466	4.9
93.72477	0.4
94.04166	3.1
95.04989	0.8
103.05448	19.1
105.07013	8.3
107.04932	3.7
109.06499	2.7
110.09983	0.4
115.05431	2.0
117.06970	3.2
119.04932	0.8
119.08681	0.4
121.06491	5.5
122.03634	9.9
123.08049	1.0
126.19598	0.4
128.06224	0.8
129.07008	0.5
131.04913	19.5
133.06471	23.4
135.08031	11.6
136.05142	0.7
137.05957	100.0
143.04887	0.9
143.08607	0.5
145.06454	6.9
147.07953	1.1
149.05855	0.5
151.07523	9.7
157.06485	3.0
160.05145	0.7
161.05824	0.5
162.06764	0.4
163.07512	29.4
171.08047	1.7
175.07527	2.6
182.48071	0.4
187.07483	0.9
189.09132	2.2
203.10617	0.9
211.09386	3.0
217.10100	0.8
235.11182	1.7
245.09476	0.9
248.08176	0.7
263.10608	2.5
295.13171	7.1
327.15463	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	326.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90870	2.9
53.03931	3.9
54.98228	3.0
55.01859	7.0
55.05503	24.6
56.96555	3.6
58.06578	3.1
59.04985	4.0
59.27831	3.1
62.20420	2.8
64.99825	3.4
65.54435	3.5
67.05489	43.5
69.03415	3.7
69.07056	21.5
71.04972	39.0
74.09699	14.2
75.43981	3.4
79.05475	51.5
81.07024	60.2
82.73098	3.0
83.04975	21.0
85.02880	4.7
85.06541	8.1
91.05457	84.4
92.09288	3.9
93.07022	68.1
95.04939	24.2
95.08583	43.8
96.12962	2.8
97.06525	32.2
98.98491	3.3
99.04432	28.0
99.08070	5.4
103.05471	5.8
105.07015	100.0
107.04966	6.1
107.08579	50.4
108.08920	3.8
109.06517	21.7
109.10146	15.8
115.05437	16.4
115.07561	13.0
115.13067	3.4
116.06224	5.6
117.06998	42.3
119.08559	57.2
121.06527	7.2
121.10141	12.8
123.04414	4.3
123.08064	7.8
128.06151	26.8
129.06984	50.4
130.07784	5.0
131.08546	77.5
133.10100	34.2
141.06963	20.5
142.07744	42.8
143.08537	45.5
144.09328	6.4
145.06448	7.1
145.10115	51.8
147.08073	7.1
147.11688	25.9
149.09558	7.0
151.07481	3.9
153.06953	4.6
154.07755	7.9
155.08479	31.7
156.09331	19.9
157.10100	61.7
158.10777	5.0
159.07994	6.0
159.11667	21.7
161.09583	6.0
161.13307	4.6
167.08551	21.0
169.10109	21.1
171.11714	27.6
173.13274	18.2
181.10110	8.2
182.10884	7.6
183.11624	5.9
185.13177	5.7
187.14816	6.0
189.12660	4.7
193.10440	3.2
197.13266	21.8
213.16304	3.9
215.14323	16.4
291.15735	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	327.1071
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
51.01991	0.2
54.31555	0.1
55.05504	0.2
65.03922	1.4
69.03430	0.2
72.54587	0.2
78.22103	0.2
83.08607	0.9
85.02895	0.5
85.91448	0.2
91.05465	12.1
95.04950	0.7
115.84376	0.2
119.04925	30.1
123.04407	1.3
147.04393	100.0
148.04730	0.7
150.10675	0.2
165.05446	22.8
246.61317	0.2
268.89072	0.2
284.19617	0.2
327.17764	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	327.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84623	0.9
53.03938	1.9
54.81792	1.0
55.05495	5.9
56.96558	33.0
57.03433	1.2
59.04980	1.4
59.06113	1.4
65.03929	1.1
67.05486	14.7
67.88650	0.9
69.03415	2.0
69.07043	5.6
69.53683	1.0
70.19267	1.0
71.04968	1.8
71.95235	2.2
74.09677	1.6
79.05470	11.9
81.03409	1.5
81.06597	1.5
81.07039	28.0
83.04961	1.8
91.05463	13.4
93.07018	22.9
95.04943	83.0
95.08577	14.2
97.06493	1.8
98.97561	100.0
105.07012	15.9
107.08571	16.5
109.06492	10.5
109.10137	6.2
110.07325	1.4
116.98592	94.9
119.08584	4.3
121.10108	2.1
123.08024	1.4
123.11665	6.5
131.08560	1.6
133.01711	1.5
133.10127	4.9
134.02477	1.3
134.99631	55.6
135.00623	2.2
135.11662	2.2
140.00235	1.1
142.00070	1.0
143.08519	1.4
145.10081	1.2
147.03282	1.9
147.11703	1.3
149.09622	1.3
149.43619	1.1
151.11150	9.1
153.00719	11.1
153.02101	1.8
155.03772	2.3
157.10114	1.4
158.01292	1.7
159.71736	1.0
165.02148	1.2
171.03221	4.8
173.04831	11.7
177.00648	1.8
180.00708	1.2
183.03253	5.3
185.04901	2.0
191.05885	1.2
195.01709	2.3
197.04860	4.6
198.02104	1.7
199.06380	6.0
207.06892	1.5
215.05869	2.7
217.07401	1.2
223.06450	1.6
225.07942	17.2
241.07294	11.0
243.08871	7.7
249.07921	1.6
259.08502	2.6
267.08932	11.4
273.18185	1.8
285.09985	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	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23949	0.4
52.34430	0.4
52.77262	0.4
53.03936	2.8
55.01855	3.3
55.05503	11.5
57.03427	8.0
57.07066	0.6
57.12026	0.5
59.04982	0.8
61.02915	12.5
69.03417	22.0
69.07054	56.3
71.04966	2.8
73.02904	4.4
81.03398	8.7
83.01340	0.7
83.08117	0.7
83.08603	17.9
85.02888	100.0
87.04440	2.7
91.03939	6.2
97.02872	24.7
99.04425	4.4
101.02390	0.5
101.09636	13.2
103.03947	0.6
109.02855	6.7
111.11708	11.4
119.10688	0.9
127.03883	15.8
129.12746	4.1
145.04929	23.2
145.73431	0.5
147.10143	4.7
147.13768	10.8
163.05992	6.7
191.65886	0.6
199.14398	0.5
296.52466	0.6
302.66913	0.6
318.82651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01862	2.2
55.05506	14.8
55.08668	0.4
57.03428	5.1
57.07073	1.1
59.04992	0.7
60.64416	0.5
61.02916	8.7
64.33240	0.4
69.03069	0.8
69.03418	15.2
69.07054	100.0
71.04978	2.6
73.02893	4.1
81.03393	5.8
83.01311	0.7
83.08606	15.2
85.02891	69.0
86.02792	0.4
87.04469	2.6
91.03918	3.2
97.02872	17.2
99.04447	2.4
101.09641	8.0
103.03893	0.6
109.02885	4.9
111.11701	22.1
127.03903	11.6
129.12729	8.3
145.04930	15.8
147.10162	1.8
147.13771	22.5
163.05965	4.3
166.16464	0.4
176.42059	0.6
178.73738	0.4
192.06947	0.5
195.15691	0.4
211.87163	0.4
258.29504	0.5
316.12274	0.5
327.17831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2321
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
55.05492	5.5
58.06578	1.1
64.33471	1.0
67.05485	2.4
68.39905	0.9
69.07043	4.9
70.06565	7.5
72.78559	0.8
79.05476	5.2
81.07039	17.7
82.06576	1.2
84.08131	1.9
88.03987	11.3
88.36474	1.0
91.05466	1.7
92.08697	2.5
93.07016	14.9
94.06539	4.1
95.08587	12.3
96.08121	1.2
98.06047	1.2
105.07021	11.9
107.08581	13.8
108.08076	2.4
109.10146	7.3
119.08556	11.3
121.10120	16.3
122.09651	1.9
123.11685	2.1
128.07077	1.4
131.08527	4.4
133.10103	8.2
134.09613	1.4
135.11682	6.8
136.11131	1.5
137.05969	2.3
143.08543	1.2
145.10107	7.6
146.09615	1.7
147.10620	1.2
147.11682	5.3
148.11177	4.1
150.12732	3.8
157.10083	1.2
159.11665	5.9
160.11209	2.4
161.13219	8.3
162.12737	2.0
163.14790	4.0
168.10179	2.1
173.13252	1.2
176.14351	2.1
177.09038	1.9
178.07532	1.0
178.12236	1.3
181.10960	1.7
182.11707	1.1
191.17876	2.4
216.17427	9.8
218.19014	31.9
218.21039	1.8
220.13332	8.5
234.18484	15.2
236.20042	13.9
238.14308	8.9
252.19585	2.2
278.20923	1.6
280.19055	1.9
296.22220	5.2
308.22153	59.9
326.23203	100.0
327.15787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16302	2.3
55.05499	2.6
58.61609	2.3
66.43356	2.6
66.52781	2.7
67.05495	3.0
69.07054	4.1
75.80200	2.6
79.05485	3.8
81.03155	41.4
81.07042	14.9
82.00306	4.6
91.05532	3.3
93.06984	5.3
95.08590	7.3
96.01857	15.3
105.06954	4.2
107.08578	4.5
109.10149	4.4
122.27492	2.7
131.08455	2.9
157.04723	48.7
177.08847	56.3
322.44110	3.4
325.16205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55272	1.9
59.05001	2.2
67.05493	2.9
79.05477	2.2
79.16640	1.8
81.03159	32.1
81.07050	9.5
82.00327	4.7
91.05459	3.5
92.08755	9.1
92.09348	5.3
93.07037	3.2
95.08653	2.4
96.01850	13.5
96.31602	2.0
101.05890	2.0
105.07047	4.4
109.06439	2.1
117.88357	2.0
130.60448	2.1
133.10173	2.3
141.10217	2.2
157.04704	25.0
171.06300	4.1
175.29152	2.1
177.08850	74.5
191.10469	2.2
205.08397	2.4
235.09447	2.8
314.53360	2.0
325.16232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14909	6.7
54.07626	5.3
55.05500	5.5
56.14396	5.5
56.96557	10.7
67.05481	8.7
68.99539	6.7
70.39391	6.3
76.56501	7.1
79.05465	7.2
81.03168	34.6
81.07024	25.3
81.15942	5.3
83.01071	7.5
91.05473	14.0
93.07025	13.1
95.08591	29.9
98.97549	7.9
106.51448	6.3
107.08620	8.7
109.10126	10.1
119.04675	8.3
134.06984	13.9
152.60188	6.8
170.47803	6.8
224.82616	6.3
257.75684	6.7
264.71942	7.6
310.13708	13.2
325.16177	100.0
330.03336	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	325.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.2
55.01870	0.8
55.05494	2.6
56.95900	0.6
57.03417	3.5
59.04990	10.4
59.29094	0.4
61.02919	1.1
67.05489	5.6
68.41199	0.6
69.03410	4.9
69.07040	0.7
71.04977	51.3
81.03400	0.8
81.07036	5.7
83.04968	1.1
83.08616	2.4
85.02891	15.5
85.06527	15.0
86.06858	0.8
89.00990	0.6
97.02867	2.8
99.08045	3.6
101.06020	5.0
109.06490	3.7
109.10143	8.2
117.09119	8.2
127.03888	3.0
127.07526	7.3
127.11170	100.0
128.07872	1.2
145.08566	5.6
145.12216	17.9
146.08932	1.1
163.03914	1.6
163.09663	1.3
163.13286	3.6
181.08414	0.7
183.71611	0.6
265.16431	0.7
325.09039	1.5
325.12555	0.8
325.16132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
54.10250	0.5
57.03427	0.8
58.21132	0.5
59.04991	54.6
61.02897	2.6
64.03525	0.6
69.03400	3.4
85.02889	15.7
86.26411	0.6
86.89248	0.6
87.04440	16.5
96.96455	0.5
96.99864	0.7
97.02869	5.4
101.05399	1.0
101.05998	17.2
109.02854	1.2
109.66660	0.6
115.03909	46.2
115.04739	1.5
126.66877	0.6
127.03902	1.2
128.76709	0.8
129.05449	100.0
133.04872	0.9
147.06503	31.5
180.08636	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	325.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	93.0
69.07059	23.1
71.10667	19.8
78.58280	17.1
81.07014	17.9
93.07035	19.6
96.54606	18.9
105.18634	17.9
109.10104	22.6
114.39706	18.0
120.99237	16.9
136.83246	17.8
325.14099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86832	9.2
56.96567	10.4
60.86396	10.4
65.37080	10.3
67.05515	11.9
79.05458	11.9
81.07040	21.1
85.02867	10.2
89.73257	10.5
91.05469	17.0
93.07027	24.8
95.08590	17.1
98.97596	12.6
104.03564	10.4
110.68732	10.5
119.08543	14.7
133.10149	20.2
147.11707	12.8
152.63062	11.7
167.06834	12.8
193.06299	74.5
240.93427	12.0
325.14050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21096	4.1
53.20528	4.2
54.81672	4.9
55.05503	10.4
56.96571	7.9
64.33219	5.7
67.05484	23.6
69.07058	8.8
71.04978	6.7
79.05460	35.2
81.07037	30.4
83.04967	10.6
91.05461	32.8
93.07014	34.2
95.04945	22.1
95.08589	30.3
97.02905	8.4
105.06986	28.1
107.08566	24.2
109.06504	7.3
109.10188	8.7
111.08112	6.3
119.08577	12.4
121.10096	8.3
131.04893	20.1
131.08592	10.6
133.10100	8.0
134.06778	5.8
135.08012	7.3
135.11728	7.2
138.16902	5.2
145.10086	10.6
147.11607	5.9
151.01544	86.9
159.11684	7.7
164.69218	5.7
325.14026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Flemistrictin C
Peak:m/z	Relative Intensity
53.03949	0.7
56.79721	0.2
77.03934	0.1
78.60040	0.2
78.60459	0.2
88.65406	0.2
92.08670	0.4
95.04962	1.4
102.04649	0.2
103.05453	68.3
105.04510	0.2
131.04913	100.0
170.25948	0.2
245.93427	0.2
315.43661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1407
Annotation	Ile-Abu-OH
Peak:m/z	Relative Intensity
50.46607	1.1
54.82018	1.4
55.05502	2.8
56.96564	1.6
57.31827	1.1
67.05484	2.5
67.30508	1.1
69.03407	1.2
69.07053	2.4
69.15639	1.1
74.19502	1.0
75.86337	1.1
79.05465	2.0
79.89218	1.1
81.07040	6.8
83.04947	1.5
87.23733	1.3
87.59406	1.3
87.60486	1.3
89.57874	1.1
91.05473	2.4
93.07011	6.6
93.60869	1.2
95.04974	1.7
95.08566	1.6
96.69874	1.1
97.06522	1.8
105.07000	6.8
107.08578	2.1
109.06479	1.2
109.10139	1.2
117.07039	1.4
119.08550	4.9
131.08568	1.8
133.10074	1.7
135.08002	1.7
145.10138	1.7
145.31689	1.2
173.09627	1.2
177.08829	2.2
208.14145	1.6
212.12408	1.3
247.98523	1.4
325.14032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33739	7.9
55.05501	16.3
56.96555	9.9
59.05019	9.3
61.11424	6.9
63.81598	7.9
67.05486	19.3
68.96913	7.6
69.03410	15.3
69.87270	8.3
71.04997	9.0
72.25375	8.4
79.05457	39.0
81.07045	61.4
83.04949	30.5
85.02853	8.4
85.06503	8.0
85.76729	7.3
91.05463	48.7
93.07007	44.3
95.04963	18.8
95.08591	34.6
97.06452	11.0
98.97493	10.2
99.04452	8.6
105.07005	55.7
107.08591	14.6
109.06461	7.9
109.10157	15.0
116.39590	7.9
119.08576	39.2
121.06554	7.6
121.10101	31.5
131.08521	14.6
133.10100	33.8
134.38118	9.5
137.32521	8.5
145.10161	18.8
147.11673	11.9
149.09569	11.3
158.55127	8.9
167.04716	14.7
299.04266	8.4
325.14017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81389	9.6
55.05505	29.1
55.41696	9.6
55.60181	9.8
56.96563	25.3
57.07102	10.1
57.22411	9.1
67.05509	27.0
69.07042	26.7
70.50516	11.0
79.05487	18.5
81.07053	82.5
83.04986	16.8
83.08646	17.5
87.24143	10.4
87.67207	12.2
88.06869	10.2
91.05466	27.2
93.07040	57.3
95.04971	15.1
95.08592	54.6
105.07027	24.7
107.08590	29.4
109.10201	19.1
110.24711	12.0
119.08555	21.2
141.93134	11.6
143.61908	11.6
145.10112	11.3
150.12666	13.7
171.39204	11.2
187.37750	13.3
193.06281	72.1
293.11606	16.2
325.13956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10722	3.1
53.59433	3.5
56.46689	3.1
67.05496	5.1
68.81877	3.7
75.53439	3.6
81.07028	7.5
83.04961	5.0
86.64400	3.5
93.07026	9.6
95.04924	4.1
107.08604	4.1
109.10125	5.3
109.89454	3.7
122.35439	4.7
189.91692	4.5
193.06232	52.5
199.29840	4.4
216.63626	4.2
235.07329	18.9
245.93088	3.7
274.73157	4.1
325.14017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28556	0.3
55.05476	0.4
56.69098	0.3
58.15336	0.4
67.05488	0.6
69.03418	0.6
69.07053	0.5
79.05480	4.0
81.07018	0.6
83.04982	0.8
91.05451	3.3
93.07030	1.5
95.04993	0.4
103.05424	0.4
104.02545	0.3
105.07011	4.4
106.07793	0.5
107.08566	5.5
109.10188	0.4
117.07036	0.6
119.08594	0.4
121.06464	0.3
121.10126	1.8
133.06425	0.7
134.07269	2.5
135.08035	100.0
145.10107	0.7
160.29752	0.4
202.99142	0.4
214.96999	0.4
248.73065	0.4
306.18164	0.6
324.23517	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	325.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99944	0.1
56.96544	0.3
66.65521	0.1
83.93833	0.2
96.33466	0.2
98.97565	4.2
101.00839	1.0
106.12191	0.2
116.98595	2.3
119.01897	7.3
134.99637	1.6
137.02922	2.4
140.98801	0.2
153.00786	0.2
158.99876	0.8
167.08667	0.1
177.00916	16.4
178.00977	0.3
180.96742	0.2
182.99695	0.3
192.98875	0.7
193.04095	0.2
195.01996	0.4
200.17166	0.2
201.00865	1.2
210.99907	0.3
216.98843	1.2
217.04018	3.8
218.03574	1.2
219.01968	30.7
220.02055	0.7
221.02034	0.2
225.00763	2.3
234.99966	7.3
236.00046	0.2
240.98917	1.1
242.42766	0.2
243.01898	5.6
249.98631	0.2
253.01068	2.6
258.99945	13.1
260.00101	0.9
260.04584	3.7
261.03003	100.0
262.03073	1.9
263.03418	0.2
264.98907	0.9
273.98648	0.6
277.00998	15.4
278.01135	1.1
279.00540	3.0
282.99921	20.9
283.99994	1.1
284.04565	2.8
291.99728	1.0
301.00992	41.8
302.01205	2.4
302.05673	11.4
303.01328	0.3
319.02048	3.1
324.02692	0.7
325.01318	1.2
325.07141	0.3
343.02063	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22585	0.5
52.61555	0.5
53.03934	1.6
55.01866	13.3
55.04923	0.6
56.98562	0.6
57.03169	1.0
57.03429	13.6
61.02911	9.0
62.45459	0.6
69.03418	47.7
71.01349	1.1
71.04979	1.4
73.02907	7.3
79.22816	0.6
81.03407	7.2
82.22526	0.6
84.87276	0.7
85.02894	100.0
85.06575	1.0
87.04431	1.1
91.03910	1.5
94.43118	0.6
97.02870	30.3
99.04449	9.1
101.02372	8.9
103.03901	0.9
109.02861	9.0
115.03912	4.3
127.03894	49.3
127.07533	1.0
145.04938	24.5
145.08595	0.7
163.05978	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	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18907	0.5
55.05505	9.6
56.81862	0.4
59.04990	5.5
61.02900	0.8
67.05485	1.0
67.50662	0.4
69.03406	2.6
73.37447	0.5
76.40063	0.4
79.05481	0.9
81.07043	16.5
83.08602	10.9
83.76810	0.4
85.02355	0.6
85.02892	30.8
85.06532	57.1
92.09255	1.7
97.02867	2.2
99.08092	0.7
101.06001	3.1
103.03925	100.0
109.06506	7.7
117.10166	0.5
127.03881	2.1
127.07537	41.6
136.94742	0.5
145.08585	85.0
335.85327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03413	0.5
57.07060	0.6
57.48615	0.2
61.02911	1.5
61.30438	0.2
65.40665	0.2
67.05489	1.9
69.03413	1.7
71.04971	0.4
73.34214	0.3
73.49870	0.2
81.03388	0.6
81.07042	1.9
85.02888	8.1
85.06528	100.0
91.03942	0.3
97.02893	2.7
109.02852	0.7
109.06519	0.5
109.10149	2.7
116.16035	0.2
121.10125	0.3
127.03900	1.6
127.07527	2.1
133.10168	0.3
136.86142	0.3
145.04948	2.1
145.08578	29.7
163.06027	0.5
166.48045	0.3
189.70132	0.3
247.40352	0.3
293.43845	0.3
308.80582	0.3
331.29022	0.3
333.91187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.2
57.07065	0.8
61.02925	1.4
67.05487	3.0
69.03415	5.1
69.07040	0.7
71.04977	13.8
71.05343	0.6
73.02917	0.6
79.05468	1.2
81.03405	1.8
81.07040	34.0
85.02890	12.4
85.06529	100.0
86.06889	0.6
87.04412	0.6
93.07036	0.6
94.74663	0.5
97.02883	3.1
97.06503	0.7
99.04453	0.6
99.08057	5.0
109.02856	1.0
109.06508	11.2
115.07541	4.1
117.44714	0.5
127.03905	1.0
127.07530	48.9
145.08578	29.5
147.09160	3.5
176.90538	0.5
207.64703	0.6
208.93362	0.5
264.10712	1.2
289.13065	0.7
324.12442	1.1
324.15759	1.0
331.80301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.05492	3.0
57.03409	1.1
61.02911	1.0
67.05493	15.1
69.03408	4.5
69.07052	11.6
70.06567	1.7
71.04977	7.6
81.03392	3.9
81.07039	4.6
83.04921	0.7
83.08601	10.5
85.02889	10.5
97.02869	3.8
99.04425	0.8
109.02857	1.3
109.10139	100.0
121.06510	0.8
127.03905	3.0
127.11168	39.5
128.20665	0.6
145.04910	0.8
145.07632	1.0
145.12212	48.7
162.05782	0.7
173.07085	1.0
191.08177	6.1
339.87064	0.7
345.97076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33098	1.1
69.11073	0.8
75.55887	1.0
107.13344	1.0
121.09093	0.9
149.95680	1.1
245.16075	0.9
296.15109	1.1
323.10959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31946	0.7
55.01866	1.0
55.05505	1.3
56.96545	1.7
57.03412	1.2
61.75211	0.9
67.05482	1.8
69.03417	1.1
69.07032	1.8
78.10133	0.8
79.05481	6.7
81.03374	1.4
81.07018	5.7
83.04956	1.2
85.02867	1.9
85.06520	1.5
91.05433	5.7
91.61636	0.9
93.07004	5.8
95.04946	1.7
95.08595	3.1
97.06501	10.5
98.06857	1.6
98.97528	1.7
105.07001	3.8
107.08562	2.2
109.06557	1.0
111.08047	1.6
117.06968	1.6
119.01856	1.2
119.08546	3.8
121.06464	4.7
125.05956	6.2
125.09582	1.3
126.06297	1.9
127.07523	1.1
131.08511	2.3
133.10059	1.1
135.08000	2.0
137.09598	1.1
143.07013	1.3
143.10631	1.6
145.10089	1.0
149.09604	1.5
153.27835	0.9
175.08594	4.1
179.10646	3.4
189.10135	1.6
190.08569	1.8
200.06866	1.1
203.08060	5.8
217.09692	2.1
235.10548	1.5
245.09152	1.6
263.10098	8.1
266.93301	1.1
273.09024	1.3
291.09769	1.5
323.10922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	8.1
55.05487	6.7
56.96549	1.9
57.03423	3.2
59.04978	1.6
61.02906	1.6
67.05483	3.0
69.03408	3.4
69.07048	4.0
71.04964	3.9
72.73083	1.4
73.02921	2.7
73.06521	1.8
79.05450	9.1
81.03384	2.7
81.07036	14.1
81.13387	1.6
82.07352	1.9
83.04932	9.0
85.02902	2.0
85.06507	3.9
91.05442	9.1
93.07027	11.7
95.04933	7.6
95.08561	6.5
97.02857	3.6
97.06480	9.5
98.06013	2.0
98.06841	2.5
99.08045	7.5
101.00830	2.1
105.06991	8.2
107.04919	2.2
107.08566	7.7
108.08023	2.5
109.06504	2.5
111.08044	1.8
117.06989	2.4
119.01867	7.0
119.08533	8.2
124.03876	3.1
125.09560	2.8
130.06454	2.1
131.08522	7.2
133.10107	3.1
134.05980	3.2
134.71666	1.6
135.07996	3.9
137.02858	2.7
139.03857	7.0
140.37692	1.9
143.10641	1.9
144.08058	2.8
145.08508	2.0
146.09590	7.6
147.05505	3.4
147.09137	3.3
148.07561	3.2
149.03546	1.7
158.06015	2.1
160.07510	3.8
161.07036	7.8
161.09528	2.5
162.07796	2.0
163.03886	2.8
163.08618	1.8
170.30759	1.8
172.07533	8.7
174.09155	14.7
175.08644	33.1
176.07022	16.0
176.09409	8.2
177.02408	1.6
179.10602	6.6
185.04636	1.6
189.06564	6.3
189.10214	20.4
190.08612	20.4
191.08150	2.2
194.08215	2.6
200.07024	10.4
202.08687	2.0
203.08141	43.3
204.06468	3.7
207.11232	7.2
217.09682	45.6
218.08069	3.4
232.32332	1.7
233.15356	2.1
235.10764	13.9
245.07033	2.2
245.09193	35.1
246.07437	2.3
247.10779	2.0
263.10205	100.0
273.08447	7.1
291.09686	18.9
293.69638	1.8
307.09863	1.8
308.87781	1.8
323.12216	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	5.1
54.07669	2.1
67.05477	3.5
69.07053	4.4
71.04975	64.5
79.05475	4.0
81.07053	6.4
93.07021	11.5
95.08569	13.3
105.03461	2.1
105.06987	10.3
107.08566	9.6
109.10130	7.5
113.08849	4.0
113.09622	84.8
119.08566	3.6
130.40141	2.0
131.08549	16.4
133.10068	9.4
135.11661	9.7
143.08539	9.1
145.10060	4.4
147.11629	4.5
157.10143	2.3
159.11633	4.6
167.10593	2.7
185.13287	4.0
189.16440	3.6
199.14847	3.8
201.16278	3.0
207.17642	2.3
213.16402	4.7
215.17905	30.1
217.19489	16.0
238.18127	2.2
269.22580	26.3
287.23639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.2
57.07058	4.3
59.68733	0.7
60.77594	0.8
64.37241	0.7
67.05491	8.4
68.98347	0.8
69.07053	15.1
75.70879	0.7
79.05471	9.1
81.07037	29.2
81.44789	0.7
83.08595	3.9
91.05470	12.4
93.07019	12.9
95.04942	1.6
95.08585	36.5
97.10139	1.6
105.07011	16.3
107.08576	27.2
109.06527	1.1
109.10149	13.4
117.06993	13.7
119.08552	13.3
121.10121	12.9
123.08078	1.5
123.11660	8.2
126.86255	0.8
128.06177	1.2
129.06987	1.9
130.07767	4.8
131.08546	39.0
133.10120	8.7
135.08025	9.7
135.11638	4.5
137.13234	20.4
143.08531	6.9
145.10103	41.7
145.25731	0.9
147.11688	6.4
147.76428	0.9
149.09598	3.3
149.13211	5.2
157.10120	4.7
159.11656	7.7
161.13223	5.0
163.11139	3.9
163.14777	12.5
165.12753	1.0
171.11621	3.4
173.13245	6.9
175.14783	3.1
179.14285	1.9
179.98311	0.9
181.67165	0.7
185.13222	5.8
187.14742	5.6
191.14223	1.0
199.14819	6.2
201.16321	0.8
205.15814	1.0
213.16330	8.2
227.17847	1.6
269.22598	28.6
287.23630	100.0
305.24600	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60857	2.3
70.77822	1.7
70.78252	2.0
76.16872	2.0
119.01906	4.1
143.01880	14.1
161.02913	19.4
173.02898	3.4
203.03966	4.6
219.05965	2.2
278.62473	2.2
288.11569	2.6
323.07291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69281	0.1
55.22422	0.1
56.96562	1.7
57.18922	0.1
59.02177	0.2
76.99316	0.2
79.85853	0.2
84.18653	0.2
85.12616	0.2
91.33453	0.1
92.56596	0.2
98.97563	5.5
104.30258	0.1
116.98596	3.9
119.01906	1.9
130.27266	0.2
134.99657	1.7
137.02950	0.3
142.03462	0.2
153.00725	0.3
158.99823	0.7
160.04611	0.2
177.00919	15.1
182.99837	1.0
195.02036	0.2
201.00911	3.8
219.01970	100.0
220.02113	1.3
221.02373	0.7
234.99696	0.2
236.99458	0.7
237.03076	0.3
238.95483	0.9
242.03534	2.2
256.96564	8.5
257.96680	0.2
261.02945	1.0
272.94238	0.4
274.94119	1.1
274.97610	3.8
275.97702	0.2
276.04727	0.2
277.00708	0.8
279.98083	0.4
280.96518	0.7
290.95358	0.3
292.95108	0.9
297.99173	0.2
298.97620	15.6
301.01154	0.2
316.98627	0.3
321.99210	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	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16584	0.8
54.81982	0.7
55.01858	0.7
55.05511	2.0
57.03430	1.7
59.05001	1.4
61.02910	5.0
61.34774	0.6
67.05476	1.8
69.03416	7.0
69.07067	2.0
71.04981	1.8
72.83159	0.7
73.02906	0.9
79.05485	9.6
81.03379	1.1
81.07031	8.1
83.04969	11.2
83.08595	4.1
84.34586	0.7
85.02899	13.0
91.03948	0.9
91.05479	6.2
92.09277	1.2
93.07040	7.2
95.04951	1.8
95.08591	3.3
97.02850	4.0
97.06499	4.9
99.04391	0.8
105.07018	6.3
107.04944	1.1
107.08582	80.6
109.02834	1.0
109.06495	1.8
109.10114	2.9
111.08037	0.9
113.05946	1.4
119.08590	1.9
123.08051	1.4
125.09613	100.0
126.09875	0.8
131.08559	1.1
133.10071	0.9
135.08047	0.8
142.06503	1.4
143.10675	1.6
145.04933	1.6
149.02272	1.2
149.09494	1.2
160.07553	32.6
165.09111	0.9
233.15331	1.2
251.16370	1.6
269.17398	0.9
322.12677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65787	3.1
59.29826	2.5
59.32660	2.8
68.28130	3.3
69.03401	4.9
70.06570	13.6
73.02879	2.9
84.04437	3.5
85.02888	7.9
94.52155	3.2
95.04930	5.2
102.46215	3.0
111.04447	3.6
111.05566	5.6
122.05996	5.4
123.04382	6.9
139.03835	3.8
140.07018	19.2
141.05534	5.2
141.10258	3.2
158.08102	13.6
160.07626	3.5
188.09088	5.3
285.40671	3.6
303.13184	4.7
321.08466	9.6
321.12009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05508	11.1
56.96569	1.9
57.07065	1.5
58.64688	1.2
65.03901	1.2
67.05497	25.3
69.03416	1.9
69.07058	15.9
71.04994	1.4
75.29382	1.1
79.05476	18.1
81.07040	29.8
83.04977	6.9
83.08641	1.7
85.06541	2.9
91.05460	22.5
93.07027	64.4
95.04954	6.7
95.08591	28.7
97.06554	1.6
101.00854	13.1
105.07018	34.9
107.08582	38.3
109.06514	6.9
109.10150	25.7
117.06997	2.7
119.01906	100.0
119.08575	23.2
121.10136	16.3
123.08006	1.5
123.11702	2.1
131.08553	7.8
133.10114	12.2
135.11664	18.7
137.02945	49.1
137.04002	1.8
142.01497	1.2
142.03514	1.8
143.08545	2.3
145.10130	11.2
147.11662	12.0
149.09589	2.3
157.10144	1.8
159.11674	8.4
161.13271	1.4
171.11777	1.4
185.13225	1.3
201.16533	1.5
203.17989	1.5
220.17828	1.5
250.51144	1.3
285.16940	99.2
289.14105	7.6
303.17984	77.3
321.19522	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	321.191
Annotation	bhos#10
Peak:m/z	Relative Intensity
53.03947	1.7
53.49528	1.1
54.81990	1.3
55.05503	10.9
57.07071	2.3
60.47572	1.0
67.05492	22.4
67.55836	1.1
69.07050	12.6
69.76492	1.2
71.04970	2.1
74.05402	1.1
74.07738	1.2
77.42870	1.1
79.05475	12.5
81.06596	2.1
81.07042	35.5
81.75050	1.2
83.04964	2.6
83.08606	2.9
84.56445	1.1
85.06532	1.6
91.05467	20.3
93.07027	61.1
94.07364	1.7
95.04957	6.8
95.08591	24.1
99.25164	1.5
101.00856	14.9
103.05441	1.2
105.07020	34.0
106.07388	1.3
107.08580	39.9
109.06526	5.1
109.10146	23.4
111.08128	2.2
117.07028	4.7
119.01902	100.0
119.08556	22.5
121.10120	15.4
123.07994	1.8
123.11707	2.5
131.08543	8.9
133.10118	12.8
135.08110	1.5
135.11676	15.5
137.02939	47.9
137.04008	1.8
142.03484	1.8
142.07759	1.6
143.08588	1.9
145.10100	11.2
147.07991	1.2
147.11661	9.6
157.10158	1.5
159.11690	6.4
161.13245	2.0
201.16452	1.7
207.08681	2.3
221.10248	2.0
228.61290	1.3
254.81010	1.4
285.16940	95.5
289.14047	8.7
303.18027	82.0
321.16223	3.1
321.19269	8.1
326.19476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05495	5.4
55.31267	0.7
56.96557	0.9
57.07070	12.5
65.03936	0.8
67.05486	4.7
69.07049	2.1
70.06568	1.1
71.04962	1.4
79.05045	1.1
79.05473	14.9
81.06607	1.0
81.07044	20.5
82.99858	1.0
83.04967	1.4
85.06521	3.4
85.22047	1.0
87.82605	0.8
91.05457	9.7
93.07027	27.3
95.01889	1.0
95.04931	3.6
95.08561	4.3
101.00835	5.9
105.07017	11.2
107.08585	11.9
109.06512	2.1
109.10155	2.0
114.40199	1.0
117.06986	1.7
119.01896	51.4
119.08567	9.0
121.10105	23.8
123.07999	1.3
123.11689	1.0
131.08553	2.1
133.06407	0.8
133.10176	6.0
135.11633	3.6
136.25452	0.8
137.01958	1.4
137.02934	29.4
145.03427	1.5
145.10101	1.5
147.11668	3.8
149.09515	0.9
151.11179	5.4
155.05505	3.8
159.05025	1.1
159.11713	1.7
171.04979	3.4
173.06572	8.4
183.04932	8.0
184.05780	1.4
185.06577	4.2
189.05986	1.1
195.04967	2.1
196.05827	3.9
197.06561	17.1
201.06058	1.5
201.09689	8.2
203.07623	2.1
205.09061	1.2
207.08588	1.7
209.06636	2.0
210.07393	1.8
211.08093	1.1
211.11778	2.0
214.06828	1.4
215.07617	8.9
219.10715	2.1
225.09676	22.2
226.10342	0.9
227.07645	1.1
227.11229	1.9
229.12766	6.3
235.11813	1.7
239.11235	3.8
241.12790	1.7
243.10782	14.7
244.11533	1.9
245.12314	1.2
253.12785	23.1
261.16940	1.1
271.13867	14.1
279.18161	1.6
303.17975	100.0
321.19046	55.6
344.20499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03936	1.0
55.01864	3.3
55.05495	3.7
57.03421	3.0
59.04983	0.8
65.03928	8.5
67.01859	3.0
67.05492	5.8
68.99770	6.2
69.03421	6.4
69.07053	3.3
71.04973	3.1
74.84792	0.7
76.56130	0.8
78.13013	0.8
79.05474	7.6
81.03387	1.8
81.07032	8.9
83.04609	0.6
83.04977	9.5
85.02882	1.7
85.06519	1.5
87.04468	1.3
91.05450	5.4
91.08323	0.7
92.09322	1.0
92.61603	0.7
93.03385	1.9
93.07014	11.2
95.04919	8.4
95.08591	10.1
95.09146	1.1
97.02861	1.8
97.06502	7.0
99.04419	1.2
99.08784	0.7
105.03367	0.7
105.07018	6.0
105.29786	0.8
107.04952	1.9
107.08567	7.4
109.02825	5.3
109.06553	5.5
109.10144	1.8
111.00777	1.3
111.04417	20.2
111.08041	1.9
113.05997	3.3
113.09608	1.4
117.06994	4.3
119.08547	3.6
121.02846	19.8
121.06452	2.8
121.10110	1.5
123.04403	5.8
123.08067	6.0
125.05956	1.3
125.09598	1.2
127.03897	3.5
129.06981	1.1
131.04948	1.2
131.08531	1.9
133.02797	1.6
133.06482	1.1
133.10109	1.5
135.08014	4.9
137.09608	1.1
139.03882	64.8
141.06938	0.7
141.09091	3.1
143.08554	1.8
145.06487	6.1
145.10092	1.5
147.07985	3.1
149.02325	72.7
149.05933	1.2
150.03128	8.9
151.03885	4.1
153.01807	100.0
153.09076	4.3
154.02650	0.9
155.04898	3.1
159.08066	0.9
161.05951	1.1
161.09599	1.7
163.03854	5.4
167.03381	14.9
171.02852	0.8
173.05954	10.2
177.01802	1.9
179.03415	1.6
179.10699	1.6
183.04390	6.5
191.03410	1.8
195.02884	14.4
201.05438	14.5
202.75920	0.8
205.04919	1.1
219.02861	8.8
219.06352	0.8
219.13780	1.0
229.04924	25.6
231.13763	1.1
247.05974	31.8
249.14726	1.2
257.04437	7.8
267.12213	1.0
267.15924	1.4
274.04642	3.4
275.05447	39.8
285.12961	0.9
303.04926	15.2
321.06003	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	321.0603
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00295	1.0
55.01864	0.9
55.05474	0.8
55.23471	0.5
56.31381	0.6
64.33372	0.8
65.03923	8.2
66.20366	0.7
67.01840	1.3
67.05482	1.3
68.99780	5.6
69.03426	1.5
71.04955	0.9
77.03944	0.6
79.05466	1.5
81.03416	1.2
81.07043	1.1
83.04969	3.7
85.02884	1.4
91.05451	4.1
93.03366	3.2
93.07013	1.4
95.04935	2.8
95.08589	1.3
97.02884	4.7
105.03315	0.7
105.07001	1.6
107.08586	1.6
109.02884	5.6
109.06520	1.3
109.94235	0.6
111.00767	1.3
111.04429	13.8
117.07009	1.0
119.04932	3.4
119.08509	1.5
121.02847	25.8
121.03799	1.1
123.04422	1.6
123.08073	1.2
125.02344	1.0
125.05987	0.8
127.03879	2.5
131.08588	0.9
133.02864	1.2
133.06424	0.7
137.02321	0.8
139.03885	64.9
145.05463	0.6
145.06422	5.9
147.04399	9.6
149.02322	77.1
150.03120	8.9
151.03853	4.1
153.01808	100.0
153.09079	0.8
155.04890	4.6
159.04286	0.8
161.05922	0.9
163.03906	4.9
165.01808	0.8
167.03362	16.3
171.10188	0.8
173.05965	9.7
177.01767	1.4
183.04372	7.4
187.03868	0.8
191.03395	2.9
195.02856	15.8
197.27875	0.7
200.04677	1.0
201.05450	15.1
205.04932	1.4
219.02885	5.8
229.04924	27.2
247.05968	35.9
248.84645	0.7
257.04462	6.5
274.04694	3.0
275.05450	43.9
285.04080	0.8
303.04904	13.4
321.06073	9.6
321.09549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0603
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00297	1.1
53.03934	0.8
55.01867	1.7
55.05495	1.6
56.96554	0.9
59.19926	0.7
61.79209	0.8
65.03934	7.2
66.58936	1.0
67.01843	2.0
67.05492	5.2
68.99773	4.6
69.03401	4.0
69.07056	3.9
71.04978	4.1
71.92692	0.8
79.05479	4.1
81.03400	1.9
81.07032	6.7
83.04958	9.2
84.08167	0.9
85.02895	2.2
85.06488	0.9
87.04462	1.1
91.05459	5.1
92.09350	0.9
93.03388	4.0
93.07034	9.4
95.04955	6.5
95.08595	6.8
96.05283	0.8
97.02866	1.2
97.06500	4.9
98.97559	1.2
99.04409	1.2
105.07039	7.8
107.04913	1.2
107.08566	3.8
109.02879	4.6
109.06509	4.1
109.10142	1.3
111.00797	1.1
111.04424	14.1
111.08045	1.0
113.06013	3.5
115.05419	1.4
117.06974	2.0
119.08564	3.9
121.02854	20.7
121.06485	1.8
121.10155	1.5
123.04406	4.0
123.08036	2.0
125.02399	1.4
125.09483	0.9
127.03908	3.8
128.06172	1.2
129.07040	1.7
131.04881	1.3
131.07024	1.7
131.08559	1.3
133.02855	1.3
133.10120	1.9
135.08040	3.9
137.06050	1.1
137.09514	0.9
137.21585	1.0
139.03894	70.3
141.09094	4.0
143.08554	1.0
145.06488	4.0
145.10074	3.5
146.10353	1.4
147.08037	0.9
149.02330	78.6
149.06012	1.0
149.09593	1.1
150.03096	7.9
151.03918	4.0
153.01825	100.0
155.04871	2.2
163.03851	4.6
167.03369	14.5
173.05930	9.6
183.04361	5.4
191.03311	1.3
195.02876	15.8
201.05458	13.9
205.04993	1.4
219.02852	3.6
229.04933	29.2
233.04370	1.1
247.05998	32.6
257.04449	10.5
261.04065	1.2
267.15787	1.2
274.04709	1.8
275.05457	39.5
303.05035	14.1
303.09698	2.0
303.12897	1.0
321.06070	8.3
321.13220	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	320.2218
Annotation	Ankorine
Peak:m/z	Relative Intensity
53.03923	0.6
55.05505	2.3
55.42970	0.3
56.05021	2.0
57.03430	0.4
57.07070	0.5
59.04991	0.6
67.05479	2.3
68.47209	0.3
69.03400	1.3
69.07050	3.1
70.81879	0.2
71.04962	0.5
74.06083	0.6
75.04461	0.3
79.05489	4.8
81.07050	6.5
82.06549	0.5
83.08584	0.7
84.04482	1.5
91.05460	5.2
93.07030	13.3
95.04948	3.3
95.08589	4.0
98.06026	1.3
102.05519	1.9
105.07008	4.1
107.04917	0.6
107.08578	9.1
109.06500	0.7
109.10138	2.3
110.06033	1.4
117.07000	1.8
119.08562	3.9
121.06481	0.7
121.10125	6.4
124.07566	1.3
130.04982	1.4
130.07788	0.4
131.08582	0.4
133.10091	0.7
135.08017	1.4
135.11687	5.0
136.07507	0.5
137.13203	0.4
144.06560	1.2
145.10124	1.6
149.13231	0.4
150.09155	1.2
153.79085	0.3
156.06567	1.7
159.11668	0.6
163.11177	0.4
167.86156	0.3
170.08098	2.9
176.10712	0.4
177.12770	1.3
177.16377	1.4
184.09671	0.4
190.12286	1.3
191.17813	0.4
194.08101	1.4
196.09703	2.6
208.09663	0.3
210.11220	0.7
220.09651	0.4
222.11212	2.2
223.11974	1.2
232.16919	4.0
234.11244	0.4
235.11957	0.4
236.12787	9.6
262.14374	2.4
263.14926	0.3
264.15836	0.3
276.15912	1.1
277.16824	3.3
278.17468	6.0
280.79678	0.3
287.40402	0.4
320.22147	100.0
321.22675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2217
Annotation	Ankorine
Peak:m/z	Relative Intensity
50.68601	0.3
53.03947	0.3
55.05505	3.0
55.14318	0.3
56.05025	2.8
57.03406	0.6
57.07050	0.6
58.96016	0.3
59.04979	1.9
59.68023	0.3
64.32813	0.3
67.05499	4.0
69.03408	1.4
69.07052	6.2
71.04971	1.5
74.06062	0.6
75.04456	1.8
79.05479	5.0
81.06601	0.5
81.07041	8.1
82.06548	0.7
83.04981	1.3
83.08611	1.2
84.04493	1.4
85.02908	0.4
90.02611	0.3
91.05459	4.9
93.07024	13.0
94.06487	0.4
94.07788	0.5
95.04948	3.2
95.08583	5.3
96.08092	0.5
97.06498	0.6
97.10085	0.4
98.06046	2.6
99.04420	0.4
102.05518	2.4
105.07014	3.5
107.04951	0.5
107.08575	9.3
108.08093	1.3
108.09366	0.6
109.06490	0.6
109.10155	3.7
110.06027	0.7
115.05470	0.3
117.07003	1.5
119.08560	3.7
120.08110	0.4
121.06493	1.3
121.10124	6.1
122.10897	0.8
123.11691	1.6
124.07568	0.8
129.06950	0.4
130.04980	1.6
130.07753	0.4
131.08556	0.7
133.10091	0.7
135.08031	1.5
135.11655	4.7
137.13232	0.5
137.14767	0.4
143.05750	1.6
143.08661	0.3
144.06528	1.5
145.10107	1.9
147.11702	0.6
148.11205	0.4
149.13251	0.6
150.09134	0.8
152.10663	0.4
156.06570	0.7
159.11671	0.6
170.08067	0.7
174.12697	0.5
177.12717	0.5
177.16435	0.4
178.12273	0.4
190.12245	0.7
192.10184	1.2
194.08134	1.6
196.09645	2.1
208.09631	0.6
210.11298	0.7
218.15585	0.3
220.09625	0.7
222.11246	2.0
223.11879	0.7
232.16949	2.9
236.12756	11.3
237.13571	1.3
238.14247	0.4
250.14362	0.7
262.14392	1.8
264.15970	1.3
274.21744	0.6
276.16156	0.6
276.19446	0.6
277.16754	2.4
278.17426	4.5
285.57721	0.3
320.22147	100.0
321.22647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56377	2.2
51.39453	2.1
53.03946	25.8
55.01863	15.3
55.05261	4.7
55.05507	70.3
56.96548	2.9
57.03428	54.8
57.07058	12.2
59.04984	20.4
65.03918	3.5
67.05495	81.1
69.03413	15.7
69.07048	29.5
71.04604	5.5
71.04978	95.1
73.06535	3.0
75.04469	28.6
79.05476	81.8
81.03402	4.3
81.06595	5.1
81.07037	92.2
82.02464	2.5
83.04965	45.8
83.08617	3.7
85.02882	3.5
85.06554	22.2
87.04435	3.3
91.05461	100.0
92.08692	7.6
93.07024	92.5
95.04946	71.4
95.08593	74.2
97.06504	31.7
99.04419	16.4
99.08026	3.0
101.26015	2.9
103.05454	4.6
105.04506	6.8
105.07022	72.0
107.08570	59.0
109.06504	17.4
109.10156	16.3
111.08061	20.2
113.06001	6.3
113.09634	3.7
116.06191	3.2
117.07011	18.8
119.08540	28.9
121.05703	2.8
121.06483	11.7
121.10123	16.6
123.08051	17.7
125.05981	3.4
125.09624	4.3
128.06221	3.0
130.07751	3.0
131.08527	15.4
133.10127	17.4
135.08012	7.3
135.11658	10.4
137.09604	4.4
141.09016	2.7
142.47313	3.1
143.08670	3.1
145.10112	15.2
147.11681	5.2
193.64508	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	320.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.9
55.01863	3.5
55.05506	47.6
57.07067	5.8
59.04991	16.6
64.33558	3.8
65.03944	2.8
67.05495	68.9
67.18437	2.4
69.07053	13.8
71.04979	25.4
78.08340	2.9
79.05478	37.3
81.07044	39.3
83.04981	6.3
83.39719	2.7
83.70818	3.2
85.06526	16.9
85.72900	2.8
86.35802	2.6
91.04955	3.4
91.05467	47.8
93.07027	89.2
95.04949	16.7
95.08587	100.0
97.06512	5.5
105.04537	2.8
105.07014	55.5
107.08582	41.2
109.06483	21.8
109.10164	26.1
111.04446	5.1
111.08081	4.5
117.07016	3.3
119.08523	23.2
121.10131	42.1
123.08041	17.9
124.08822	10.3
125.09596	5.0
127.07536	2.6
131.08572	5.6
133.10103	11.2
135.08031	5.8
135.11716	5.1
137.09554	3.7
137.13274	10.5
145.10132	5.3
147.11656	12.1
149.09575	5.4
153.12746	14.4
163.11093	10.7
165.12756	20.8
175.87363	3.0
181.12254	17.1
205.56352	2.8
218.45969	3.5
219.55038	2.9
223.16983	4.4
266.85635	2.9
285.16913	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14958	5.7
52.06421	5.2
52.33406	6.3
53.03935	24.4
53.66283	5.1
55.05503	53.6
57.03424	15.3
59.04995	64.7
61.20778	6.3
61.80130	6.2
67.05492	78.4
69.07050	14.8
70.49832	5.9
71.04979	74.5
72.05748	44.0
75.04462	32.5
79.05488	53.4
81.07040	74.9
83.04966	81.5
85.06519	14.7
87.04446	61.2
91.05467	100.0
92.09296	7.9
93.07026	93.9
95.04959	70.1
95.08604	59.4
97.06513	43.4
105.04533	8.8
105.07001	35.9
107.08582	11.1
109.06515	14.9
109.10140	26.4
116.89762	7.7
117.07053	10.1
119.08542	11.8
129.07254	6.1
131.59125	7.0
137.09604	12.3
141.09070	11.7
144.83961	6.7
151.11156	11.6
155.06860	6.2
186.89864	6.6
274.23282	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	320.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54568	6.7
53.03939	15.1
55.05301	5.7
55.05511	93.0
57.03422	13.2
59.04984	18.7
64.01794	7.6
65.98445	6.7
67.05492	49.8
69.07068	9.4
71.04975	51.2
72.05753	57.3
72.82985	6.2
73.68630	7.2
75.04471	28.8
76.11913	6.8
78.22972	6.6
79.05470	76.0
81.07040	100.0
83.04984	53.8
85.06534	11.9
87.04462	61.2
89.54168	7.4
91.05456	65.5
92.09043	15.3
93.07040	72.9
95.04933	36.7
95.08603	29.5
97.06542	19.1
98.03656	12.6
99.04419	11.2
105.07010	18.3
107.08604	7.8
109.06516	16.0
109.10158	15.3
137.09627	11.0
157.08496	9.0
175.09697	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09826	0.3
51.70773	0.3
52.32166	0.3
53.00291	0.6
53.03938	0.8
54.13261	0.3
55.01859	0.7
55.05260	0.7
55.05505	10.5
56.96553	0.6
57.03416	1.7
57.07074	3.2
59.04988	3.1
59.30339	0.4
61.02906	2.4
65.03900	0.5
66.11110	0.3
67.05492	5.9
69.03416	4.0
69.07054	2.4
71.01357	0.5
71.04972	3.4
73.02890	0.8
75.04447	0.5
79.05460	4.5
81.07040	6.8
83.04964	100.0
85.06530	1.6
87.04438	2.5
91.05454	4.5
93.07033	5.1
95.04952	6.8
95.08600	2.8
97.06516	2.0
99.04436	0.8
103.62912	0.4
105.03413	0.6
105.07005	4.4
107.07928	0.4
107.08582	3.8
109.06522	2.5
109.10150	1.0
111.04417	0.5
113.05991	16.9
113.06743	0.7
117.07017	0.5
119.08559	2.5
121.06483	0.5
121.10128	0.9
123.08067	0.8
129.05472	0.6
131.07051	0.5
131.08536	0.7
133.10129	1.0
145.10159	0.6
206.28745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60171	1.3
54.81396	1.4
55.01863	1.6
55.05510	7.0
56.46339	1.2
56.96551	2.8
57.07065	2.5
59.04993	3.7
62.21205	1.1
64.68822	1.1
65.03934	1.2
67.05495	13.4
68.78980	1.4
69.03413	1.7
69.07057	10.6
70.06555	2.5
70.44413	1.4
71.04966	1.9
79.05468	17.2
81.07044	27.2
83.04965	2.3
83.08634	2.2
85.06506	1.2
88.07607	5.6
91.05466	16.9
93.07030	29.5
94.31632	1.4
95.04938	10.2
95.08589	13.7
97.06536	3.6
99.04392	1.4
102.09213	2.3
103.05477	3.0
105.07012	23.2
105.07570	1.5
107.04935	1.8
107.08598	27.9
108.08878	1.5
109.06502	8.7
109.10160	9.6
117.07004	2.4
119.08562	13.2
121.06493	3.0
121.10153	8.1
123.08060	3.1
123.11710	2.6
125.09576	1.7
131.04970	3.2
131.08519	9.6
133.10129	12.5
135.11636	11.2
137.09615	2.5
141.07100	1.5
143.08612	2.0
145.10136	6.7
147.08054	2.5
147.11667	3.7
149.09613	6.6
151.11221	3.1
157.10124	1.8
159.11688	3.4
167.07010	2.1
167.10600	3.3
167.17146	1.8
171.11725	2.1
214.37341	1.4
256.26315	3.5
278.17923	1.9
301.16354	12.0
301.21732	5.8
318.30127	6.5
319.18784	100.0
319.22433	5.9
319.30060	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01297	0.9
53.25387	0.9
55.01866	2.1
55.05509	65.5
57.03424	5.0
57.07073	12.6
59.04984	2.4
67.05500	30.4
67.06287	1.1
69.03410	2.2
69.07058	100.0
71.04974	4.8
71.08602	4.5
79.05489	10.4
81.07043	97.4
83.04964	8.0
83.08611	30.9
85.06155	1.1
85.06541	17.4
91.05457	6.7
92.08974	2.1
93.07032	31.8
95.04956	2.3
95.08594	70.3
97.06531	8.5
97.10155	32.1
99.08086	2.1
105.06999	5.1
107.08596	23.3
109.10149	40.5
111.08053	6.9
111.11692	8.6
113.09614	5.8
119.08541	2.3
121.10133	13.7
123.11691	19.5
125.09593	1.8
126.82982	1.1
135.11685	12.7
137.13249	12.8
139.11172	2.7
149.13246	7.6
151.14787	2.8
153.12695	5.4
163.14867	1.8
177.16319	1.5
184.71696	1.2
191.17877	2.5
209.18997	2.0
247.24142	6.6
250.93886	1.2
259.97241	1.2
265.20703	1.2
265.25247	21.9
283.26331	28.6
320.22061	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	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
54.81877	0.7
55.01859	1.5
57.03426	3.9
61.02913	6.4
68.75556	0.6
69.03418	14.5
70.06570	1.8
71.04970	1.1
73.02900	0.7
81.03396	10.1
85.02888	38.5
87.04461	0.8
91.03941	1.5
96.63490	0.7
97.02862	12.7
98.06011	0.8
98.97581	0.9
99.04432	1.5
109.02859	100.0
114.05481	0.9
123.04383	1.3
127.03870	5.8
140.07063	6.5
141.05438	54.5
145.04924	6.3
155.89920	0.7
158.08092	6.8
164.06602	0.7
177.05415	0.8
185.95169	0.7
216.88771	0.8
320.95737	0.8
324.45819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24557	5.1
53.03948	11.8
53.96863	5.2
55.01874	8.3
55.05502	61.2
57.03427	11.8
59.04994	28.3
63.04169	5.9
64.32799	5.0
65.56097	5.9
67.05491	51.7
69.07059	8.9
71.04978	95.1
72.05759	31.5
74.12109	5.5
75.04465	39.2
79.05477	60.4
80.78485	5.5
81.07044	100.0
83.04967	44.2
85.06519	51.3
87.04453	13.1
91.05468	83.1
93.07021	93.0
95.04942	60.2
95.08579	48.1
97.06525	12.0
99.08118	7.0
101.10262	6.5
105.07023	34.4
107.08586	12.4
109.06558	6.8
109.10124	11.6
111.08061	8.5
116.19652	6.6
119.08595	24.8
121.10173	7.8
137.09584	7.4
141.09102	9.8
306.49612	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	319.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99054	0.6
53.03929	1.7
55.01873	1.2
55.05500	1.1
57.03436	7.8
57.07055	0.7
61.02907	5.2
61.88618	0.7
67.05486	7.0
69.03418	15.1
69.07043	3.3
71.04967	1.4
71.44488	0.8
73.02885	3.0
78.83623	0.8
79.05476	5.3
81.03397	8.8
81.03802	0.8
81.07041	11.1
82.02921	0.9
83.01316	0.9
83.04981	1.2
85.02892	76.0
85.06517	1.9
87.69660	0.9
87.75848	0.7
88.36486	1.0
91.05455	1.9
93.07010	3.8
94.06562	0.9
95.04942	8.5
95.08595	0.8
96.04461	0.9
96.75217	0.8
97.02871	37.7
97.06524	3.2
99.04427	3.0
103.03918	4.7
105.07004	1.1
108.08102	17.4
109.02856	11.0
109.06497	1.4
110.06031	3.2
115.03924	0.8
122.06020	9.0
122.09633	1.0
125.05992	12.0
126.05480	11.0
126.09070	6.3
127.03895	13.0
136.07547	24.8
139.11208	3.8
140.07048	37.3
145.04916	10.0
150.09148	7.7
152.07033	25.3
154.08630	9.2
163.06004	4.6
164.07043	36.6
178.08603	25.7
182.08096	100.0
192.10150	1.4
202.08617	0.9
206.06287	1.7
206.08107	36.9
218.08153	6.0
236.09296	2.9
248.09096	7.7
266.10184	1.5
302.12320	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	319.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.3
56.05013	2.4
56.96548	2.0
57.07071	3.7
59.04999	2.2
60.04290	1.5
60.04519	25.3
67.05489	11.0
69.07057	11.8
71.04967	3.7
79.05477	10.2
79.23948	1.4
81.03153	2.0
81.07042	22.5
83.04990	3.0
83.08597	7.0
85.56491	1.5
91.05470	8.1
92.64573	1.6
93.07019	22.6
95.04992	5.3
95.08591	9.4
97.06496	3.3
98.93648	1.5
105.07023	13.3
107.08598	15.6
109.06499	2.8
109.10168	6.3
112.91366	1.6
117.07015	2.5
119.08559	9.2
121.06454	2.4
121.10120	9.0
123.08019	2.6
123.11702	3.3
129.06914	1.9
131.08553	6.6
133.06299	2.6
133.10152	9.3
135.08040	2.5
135.11684	2.8
138.09087	8.1
143.08559	2.2
145.10118	4.0
147.11703	1.9
149.09630	2.7
151.07288	1.8
161.09544	1.7
161.13162	2.4
166.08649	3.6
177.07307	3.7
177.08847	100.0
191.91301	1.7
191.92967	1.8
193.12007	3.0
202.92474	1.8
209.11479	1.7
259.16718	3.9
273.18182	29.1
301.21445	2.1
302.12738	1.6
318.29837	6.9
319.18878	16.0
319.22202	3.0
319.30438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12941	1.6
52.69129	1.6
53.58386	1.4
55.01858	1.6
55.05507	12.0
56.05030	14.1
56.96556	2.0
57.07063	12.5
58.06586	11.0
60.04507	16.1
64.92011	1.5
65.68200	2.0
67.05491	14.2
68.09107	1.6
69.03402	3.4
69.07046	13.0
71.04996	3.7
71.08600	3.5
72.33599	1.8
74.06078	10.5
79.05470	16.0
79.05859	1.7
81.07035	25.1
83.04993	3.5
83.08600	9.1
85.02887	1.8
85.10155	2.4
86.06064	2.4
88.07610	51.1
89.07940	3.3
91.05460	42.2
92.05824	16.2
93.07021	36.2
95.04943	10.9
95.08586	20.8
97.06505	3.0
99.04403	2.7
99.08077	2.5
103.05428	3.8
105.03409	2.2
105.07006	18.8
107.04940	2.3
107.08568	28.1
109.06532	9.3
109.10144	4.3
116.87479	1.9
117.06981	3.3
118.08618	4.3
119.08575	9.2
121.06534	2.3
121.10114	14.8
122.08144	3.7
123.08094	2.7
123.11672	7.2
129.65350	2.4
131.04904	3.7
131.08543	8.7
133.06294	2.3
133.10147	12.1
135.11696	12.8
142.07687	2.3
143.08490	3.6
145.10130	9.2
149.09621	4.8
150.11752	1.9
177.08821	100.0
177.10349	3.8
199.14755	2.3
270.27878	27.3
271.28253	16.3
273.18213	26.7
278.31305	2.1
301.21469	4.0
318.29990	43.3
319.18793	7.6
319.22467	3.0
319.30246	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
52.69344	0.5
55.05491	3.1
56.04762	0.9
56.05028	19.4
56.86374	0.4
56.96540	0.7
57.06781	0.6
57.07066	16.2
58.06349	0.5
58.06593	9.2
59.04994	0.5
60.04516	17.0
62.43793	0.4
67.05479	3.4
69.07027	2.7
70.06557	0.7
71.04974	0.6
71.08627	6.1
74.05653	0.7
74.06059	15.2
74.61674	0.4
75.75679	0.4
79.05455	2.5
81.07023	3.1
82.04156	0.5
82.06538	0.5
83.04981	0.8
83.08581	0.7
85.10158	3.1
86.06047	1.1
88.07614	75.3
91.05470	1.2
93.07026	4.0
95.04943	2.9
95.08578	1.1
97.06487	0.8
101.27367	0.5
103.05425	2.7
104.05808	1.0
104.07066	0.6
104.50503	0.4
105.07010	2.1
106.07331	0.5
107.08594	3.7
109.06543	0.5
109.10118	1.1
111.04332	0.5
113.42982	0.5
115.75156	0.5
117.69541	0.4
118.07800	0.6
118.08640	12.4
119.08530	0.7
121.10155	0.5
122.08129	6.9
123.08116	0.5
124.65456	0.5
130.96104	0.4
131.04895	4.2
132.05241	2.3
133.10085	0.6
135.11742	0.9
138.09135	0.9
156.23936	0.5
166.08563	0.5
242.00665	0.5
256.26288	2.8
260.04358	0.5
270.27859	55.3
282.28000	2.2
282.74612	0.5
300.28915	4.5
318.29965	100.0
319.30441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1023
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
51.11931	0.4
55.01860	0.6
55.05495	0.9
57.03421	2.4
60.29323	0.5
61.02916	4.0
64.33234	0.6
69.03419	9.8
71.01337	2.9
73.02895	0.9
78.74483	0.5
80.84427	0.5
81.03407	2.8
83.04987	0.7
85.02892	14.2
87.04454	0.8
97.02891	5.3
98.97575	0.8
109.02860	2.1
111.04435	97.0
111.08038	0.7
116.98631	0.7
121.06507	0.8
121.46971	0.5
127.03884	2.1
132.95837	3.1
139.03889	100.0
144.10231	0.8
145.04965	0.7
156.06561	0.5
157.04942	46.5
174.96909	2.6
204.13632	0.6
213.78546	0.5
230.31804	0.5
244.54024	0.5
255.18115	0.5
319.09998	4.2
319.13510	2.0
326.79385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93710	0.3
55.05427	0.5
57.03329	0.7
59.04868	0.4
67.05378	1.1
67.05691	0.4
69.01815	0.4
69.03289	2.0
69.06960	0.8
71.04873	1.6
79.05328	2.7
81.03275	0.5
81.06893	2.3
83.04824	2.1
85.02741	2.3
85.03202	0.5
86.09598	0.8
91.05347	1.6
92.44770	0.5
93.06860	4.1
95.04788	2.6
95.05341	0.5
95.08492	0.8
97.02766	1.4
97.06356	2.0
98.18227	0.5
99.04333	0.9
105.06852	2.5
107.08465	1.1
109.06358	0.9
109.10031	0.6
111.07920	0.8
112.58018	0.5
117.06870	0.7
119.08386	2.0
121.06375	0.9
123.07998	1.3
141.68799	0.5
145.09871	0.6
151.07370	0.7
157.07455	0.7
159.11497	0.6
169.07405	0.7
171.09155	3.3
174.08961	0.7
182.09521	0.5
183.08980	2.1
184.09801	2.4
193.07443	0.6
194.08231	0.6
197.06976	0.6
198.07700	2.5
199.08577	3.8
199.12198	2.6
200.10536	1.0
209.10652	2.6
210.09146	1.0
210.11272	1.7
211.08534	4.4
212.09413	7.5
213.10162	6.5
225.10152	5.7
226.10965	17.5
227.11748	24.5
228.10130	8.7
229.09567	1.0
231.07733	0.6
241.09630	0.9
245.12723	0.9
255.11235	12.2
257.09106	0.9
270.09915	27.8
271.10712	6.3
272.11484	26.0
273.12283	13.4
276.01535	1.7
279.74997	0.5
283.10663	8.8
291.03903	0.7
301.11761	100.0
317.09244	0.6
319.04691	0.7
319.12839	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	318.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53081	0.5
56.96549	2.4
57.07069	16.8
58.06573	0.5
58.76628	0.4
65.19302	0.4
65.72031	0.4
66.11240	0.4
69.07039	0.5
70.06577	26.4
71.08625	5.9
84.08138	2.6
85.10152	1.1
86.09661	0.5
88.07615	24.1
93.07005	0.5
102.09145	2.1
106.08643	3.2
106.12534	0.5
107.08549	0.5
114.09154	8.7
115.00652	0.5
118.08629	2.9
132.10182	29.5
150.10033	1.1
150.11230	23.3
154.18034	0.5
164.68701	0.5
242.24756	0.8
256.26218	2.1
274.27319	6.8
301.82031	0.6
318.29977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
50.77650	0.5
57.07068	14.7
58.06582	3.0
62.43607	0.5
65.73188	0.5
66.86681	0.6
70.06582	28.4
71.08624	5.7
85.10148	1.0
86.45245	0.6
88.07612	34.3
96.84407	0.7
102.09162	23.1
112.70931	0.6
121.05178	0.7
132.10229	1.2
146.11769	1.2
152.57573	0.6
210.21895	0.7
212.23727	0.9
256.26294	69.4
300.28958	5.0
306.74692	0.7
318.29971	100.0
319.69138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.4
53.03937	11.8
55.01871	14.8
55.05506	63.9
56.96561	1.8
57.03424	8.2
57.07066	2.8
59.05002	14.9
64.63180	1.6
65.03931	4.6
67.05495	48.5
68.05815	1.6
69.03413	15.3
69.07055	18.9
71.01349	2.6
71.04982	68.5
73.02894	2.4
73.06538	100.0
75.04463	20.2
79.05482	61.3
81.03400	3.9
81.07038	83.5
83.04964	37.7
83.08607	47.6
85.02911	12.2
85.06526	17.1
87.04447	11.7
87.08086	31.6
91.04885	2.8
91.05462	81.6
93.07017	77.4
93.33896	1.8
95.04951	46.2
95.08588	38.7
96.65025	1.9
97.02857	3.2
97.06512	32.8
99.04417	11.6
99.08041	3.3
103.05457	17.1
104.05802	8.0
105.04501	2.8
105.07008	51.4
107.04964	12.2
107.08578	38.7
109.06501	30.1
109.10159	13.8
111.04422	2.4
111.08031	4.1
113.05974	2.2
113.09642	3.0
115.05467	2.7
115.07550	37.0
117.07008	14.5
119.04896	2.9
119.08568	29.5
121.06499	10.7
121.10119	16.3
123.08060	12.4
123.11692	2.7
125.05977	3.2
125.09584	3.0
128.06207	3.7
129.06985	3.9
130.07755	4.1
131.04904	21.0
131.08543	17.3
132.05249	11.8
133.10112	14.6
135.08075	14.1
135.11696	3.7
136.95103	2.4
137.09602	16.1
141.09079	3.2
142.07784	2.0
143.08537	9.4
145.10127	11.6
146.07220	2.1
147.08063	8.5
147.11668	4.3
149.09613	16.6
151.11166	2.1
151.30675	2.1
159.11673	4.3
161.09651	7.6
163.09689	2.2
163.11142	2.6
165.09103	4.7
173.13243	2.9
175.11151	2.3
177.09096	3.4
177.12703	2.2
179.10638	3.4
219.13811	2.2
227.17769	1.9
277.17386	2.5
288.24310	2.2
301.16486	8.1
318.24359	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	318.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75924	0.9
53.00294	1.6
53.03925	5.0
55.01866	2.5
55.05505	52.2
56.96549	1.1
57.07072	1.4
59.04994	23.6
65.03923	1.3
67.05493	23.6
68.05811	2.7
69.03403	6.5
69.07053	9.0
71.04974	18.1
72.58855	1.1
73.06546	18.5
75.12918	1.1
76.91005	1.2
79.05472	23.7
81.03385	1.4
81.07037	47.3
82.07349	5.7
83.04964	56.4
85.02888	12.8
85.06523	3.0
87.04458	20.0
87.08090	100.0
91.05463	26.9
92.05801	1.7
93.06474	2.0
93.07020	29.5
94.07365	1.7
95.04942	18.0
95.08578	25.6
97.06532	8.6
99.04425	4.8
103.05452	42.9
103.07574	2.0
104.05800	25.0
105.04507	1.4
105.07023	20.6
106.07339	2.3
107.08567	19.2
108.08907	2.7
109.06508	14.8
109.10152	11.8
110.10463	4.8
111.08022	2.8
111.58276	1.2
114.29801	1.3
115.07543	1.9
117.07008	1.8
119.08543	9.5
121.06512	1.9
121.10134	2.1
123.08071	8.9
123.11681	8.3
124.12037	1.3
131.04906	60.5
131.08565	2.9
132.05238	46.1
133.10106	7.2
134.10440	1.6
135.11717	1.9
136.04544	1.5
137.09583	2.0
141.09036	11.5
143.08542	1.6
145.10130	4.8
147.08055	1.7
151.11134	7.9
157.10110	1.3
163.11110	1.3
165.09178	1.8
233.15303	1.8
277.17770	2.5
318.24243	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	318.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01860	1.6
55.05506	14.0
56.96569	0.8
57.03421	1.1
57.07056	1.9
59.04982	5.3
67.05494	17.7
69.03417	5.0
69.07056	13.5
71.04987	8.0
79.05473	19.3
80.06235	0.9
81.03386	1.1
81.07038	58.0
82.04180	0.9
82.07825	2.0
82.67371	0.8
83.04967	5.5
83.08607	9.4
85.02891	1.2
85.06530	7.7
91.05464	21.5
92.32648	0.9
93.07025	38.1
95.04949	21.2
95.08583	16.0
97.06505	7.4
99.08147	0.9
103.05441	1.7
105.07012	24.1
107.04936	2.1
107.08572	24.2
109.06510	8.8
109.10142	24.3
110.07291	15.2
111.08062	5.0
117.07010	5.4
119.08557	22.5
121.06481	4.9
121.10121	11.8
122.07326	1.0
123.08043	5.5
123.11671	3.9
125.09526	1.0
128.06229	1.1
129.06935	1.7
131.08545	6.8
133.10100	8.2
135.08063	1.6
135.11638	8.7
137.09587	13.1
138.10353	4.9
143.08569	1.6
145.10078	10.9
147.07997	1.7
147.11667	10.8
149.09677	1.2
151.11147	3.7
155.10674	6.0
159.11665	8.5
161.09586	1.9
161.13243	5.7
163.11172	10.6
173.13235	1.4
175.14833	1.2
177.12724	1.5
191.17932	1.6
201.16356	6.8
203.28535	0.9
219.17390	30.4
277.17694	100.0
320.77856	1.2
334.79941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01860	1.2
55.05526	2.2
55.16655	0.5
57.23724	0.5
59.04976	0.7
64.32773	0.6
65.09719	0.5
67.05494	3.2
69.03417	1.2
69.07068	1.1
71.04980	9.9
75.14302	0.6
79.05480	5.7
81.03425	1.1
81.07043	10.4
83.04960	3.4
85.02890	1.5
85.06528	3.3
91.05457	8.6
92.63897	0.6
93.07043	8.0
93.11903	0.6
95.04957	9.5
95.08564	5.2
97.06529	2.7
99.04436	37.9
99.08080	0.9
103.05428	0.6
105.07016	48.4
107.08585	5.7
108.28046	0.7
109.06504	14.5
109.10144	1.0
111.04413	0.9
111.08071	1.0
113.05984	0.7
117.06985	3.4
119.08564	100.0
121.06470	5.4
121.10107	3.0
123.08060	4.4
125.09638	0.9
127.07531	9.8
128.04465	0.7
129.06902	1.0
131.08553	4.0
133.10117	3.7
135.07991	1.4
135.11682	7.1
137.09598	6.2
140.02020	0.7
141.09074	0.7
143.08540	2.7
144.09357	1.2
145.10112	27.5
147.08023	11.0
147.11674	1.5
149.09619	1.0
157.10080	1.0
159.11656	28.9
161.09669	0.9
163.07547	3.4
163.11136	17.0
165.09082	7.5
171.11700	0.9
177.12711	16.3
177.14120	1.0
179.10683	1.2
187.11140	2.9
191.14413	0.7
195.13773	2.3
205.12215	41.1
223.13268	33.0
225.07646	1.2
241.14307	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	318.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55511	1.0
53.03933	3.0
55.01865	3.2
55.05492	8.6
57.03421	1.9
57.07068	1.6
58.04202	1.6
59.04987	2.1
67.05492	13.0
69.03400	7.9
69.07044	5.6
71.01326	1.6
71.04973	9.5
75.04459	100.0
79.05470	20.1
81.03385	1.9
81.07029	19.1
83.04962	6.0
83.08602	1.5
85.02899	1.4
85.06510	1.7
86.27045	1.3
89.87528	1.1
91.05455	23.4
93.07023	16.8
93.23377	1.5
94.44146	1.3
95.04946	12.1
95.08582	5.2
97.02855	1.3
97.06502	2.5
99.04430	5.5
105.07021	20.6
107.08578	14.9
109.06507	10.3
109.10146	2.2
111.04419	1.6
117.07000	6.3
119.08549	11.5
121.06462	11.1
121.10115	5.0
123.08059	6.3
125.05974	2.4
128.06192	1.5
129.06966	2.8
131.04924	1.9
131.08539	5.3
133.10117	5.8
135.08046	5.4
135.11702	1.5
137.05994	1.7
137.09573	1.5
143.08488	1.6
145.06369	1.7
145.10127	3.2
147.08028	2.9
147.11687	1.7
151.11214	1.9
159.11673	1.6
161.09615	3.0
163.11162	5.6
171.11720	1.5
256.38428	1.3
277.17682	1.9
319.33914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.6
53.03932	0.6
55.01863	1.0
55.05493	2.5
59.04993	1.3
65.03903	0.7
67.05484	6.3
69.03406	4.0
69.07047	1.0
71.04980	8.4
73.02894	0.6
79.05471	8.1
80.38634	0.6
81.03390	0.6
81.07038	8.2
83.04962	4.1
85.02895	1.0
85.06527	1.2
87.04564	0.7
87.26773	0.7
91.05463	9.9
93.07028	9.3
95.04949	100.0
95.08591	7.1
97.02872	0.7
97.06502	3.7
99.04457	6.4
105.07011	11.7
107.04957	0.9
107.08578	18.4
107.86476	0.6
109.06493	7.1
109.10162	0.9
111.08057	4.5
115.05478	0.8
117.07002	2.7
119.08563	6.4
121.06487	4.0
121.10136	5.5
123.08057	3.1
125.09629	0.7
125.15750	0.7
128.06184	0.7
129.07021	0.8
131.08554	11.4
135.08046	4.3
137.09630	1.6
143.08563	0.8
145.10069	1.5
147.08055	1.1
147.11664	5.0
149.09602	27.5
153.09074	6.8
156.09393	1.0
159.11642	0.9
161.13179	1.0
165.12738	2.5
189.12738	4.2
200.70958	0.7
207.13745	14.4
207.48137	0.8
219.13699	0.8
225.14830	1.6
247.13432	0.9
265.14258	1.5
297.60513	0.7
324.00003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01867	2.9
55.05499	7.8
56.96552	2.6
57.03433	2.2
59.04977	2.8
61.80785	1.6
63.19635	1.5
65.03911	2.0
67.05502	19.3
69.03400	1.7
69.07060	4.1
71.04982	36.2
73.33363	1.7
74.88291	1.6
79.05479	22.0
80.06255	3.1
81.07043	48.0
82.04182	1.7
82.07826	4.0
83.04963	18.6
83.08604	2.1
85.06535	21.4
91.05460	15.4
93.07016	18.9
95.04948	100.0
95.08586	16.3
96.05727	2.9
97.06493	8.3
99.04433	2.9
105.07022	18.1
107.04929	2.6
107.08595	17.1
108.05701	3.2
108.09349	2.3
109.06496	18.6
109.10133	9.0
110.07291	85.2
116.57246	1.8
117.06979	3.9
119.04874	2.0
119.08545	7.0
121.06477	3.4
121.10128	6.1
123.07999	2.9
128.08325	2.8
129.06969	1.9
129.42274	1.9
131.08527	7.0
132.05241	2.1
133.10112	3.3
135.08026	2.8
142.07909	1.6
143.08530	3.5
145.10115	7.8
147.11638	1.9
159.11629	3.2
161.09590	3.2
173.13191	2.2
175.09645	2.3
189.26701	1.8
203.10638	2.1
232.78461	1.6
277.14111	40.1
318.18872	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	318.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92656	2.0
53.00301	3.0
53.03931	14.3
54.60740	1.8
55.01864	12.0
55.05266	3.0
55.05505	52.4
57.03418	4.9
57.07070	4.8
59.04992	25.4
61.79385	2.1
63.67340	1.8
65.03919	5.2
67.05493	57.0
68.05827	3.7
69.03403	20.2
69.07052	22.6
71.01344	2.8
71.04974	64.9
73.06539	69.3
75.04462	55.4
78.84817	2.2
79.05008	2.4
79.05474	68.0
81.03389	8.7
81.07038	95.9
82.07359	8.8
83.04977	36.1
83.08598	39.7
85.02887	12.0
85.06532	43.3
87.04444	10.4
87.08082	24.4
91.05466	100.0
92.05811	2.8
93.07024	84.1
94.07324	3.1
95.04950	52.3
95.08585	42.9
96.05711	2.2
97.02888	3.7
97.06510	34.4
99.04426	11.7
99.08103	9.0
103.05447	50.3
104.05773	30.3
105.04531	2.6
105.07007	56.5
106.07336	2.5
107.04943	13.1
107.08567	46.3
108.08903	10.0
109.06511	33.3
109.10135	15.5
110.07268	3.4
111.04440	3.5
111.08080	4.2
113.05969	2.0
115.05419	4.7
115.07543	21.5
117.07019	13.6
119.04919	3.1
119.08546	31.5
121.06479	11.9
121.10124	11.2
123.04394	2.4
123.08042	17.9
123.11677	9.5
125.06012	3.1
125.09609	3.5
128.06177	2.9
129.07013	3.1
131.04903	85.8
131.08548	18.0
132.05235	62.1
133.10124	15.4
135.08020	13.1
135.11615	4.8
137.09598	11.6
141.09120	3.4
142.07806	3.1
143.08556	5.2
145.10126	11.8
147.07986	10.8
147.11664	3.3
149.09587	15.2
151.11188	11.8
152.11507	8.2
157.10051	2.4
161.09663	4.5
163.11151	2.5
165.09100	11.7
173.13226	2.6
177.09085	2.4
179.10571	2.5
242.78659	2.1
267.34940	2.2
280.93292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01850	1.1
55.05503	5.9
55.05919	0.4
56.06749	0.4
56.96554	0.7
57.03421	0.8
57.07089	0.7
58.42725	0.4
59.04982	2.1
60.39477	0.4
65.03924	3.1
66.78356	0.4
67.05495	22.2
69.03419	2.6
69.07059	5.9
71.04980	8.1
78.40248	0.5
79.05477	14.2
81.07042	25.1
83.04974	10.9
83.08607	4.7
85.06525	0.7
91.05463	13.1
93.03368	1.2
93.07027	18.2
95.04928	4.3
95.08596	7.6
97.02860	0.7
97.06518	4.0
105.07021	13.6
107.08582	100.0
108.08897	0.5
109.06500	5.8
109.10148	16.5
111.04434	15.5
111.08051	3.5
117.07012	1.2
119.06060	1.0
119.08575	7.7
121.06460	2.8
121.10122	4.2
123.08044	2.3
123.11668	1.1
125.09611	13.0
127.68175	0.5
131.08493	1.7
133.10107	4.4
135.08031	6.9
135.11674	3.6
137.09607	7.3
138.10387	0.6
145.10114	3.8
147.11633	4.7
149.13301	0.5
151.11130	0.7
153.09079	22.5
155.10664	2.6
159.11703	2.0
161.13226	1.8
163.11176	3.2
173.13225	0.6
191.17993	0.6
198.24374	0.5
198.26157	0.5
201.16432	2.4
219.17439	8.5
277.17740	4.7
318.30096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27673	1.2
53.03932	3.0
54.59719	1.2
55.01875	1.9
56.72215	1.2
57.03417	10.7
61.02908	10.2
61.40787	1.3
69.03416	23.8
71.04991	2.1
73.02911	3.6
75.46447	1.4
76.28166	1.5
81.03394	11.4
85.02892	100.0
85.64920	1.8
93.07008	3.3
97.02867	24.6
99.04421	2.6
101.67709	1.9
109.02856	9.7
121.06494	62.2
127.03875	15.1
145.04948	15.7
163.06110	1.9
180.08607	10.3
187.07430	3.2
205.08534	2.8
318.15457	3.0
338.77271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.0
57.32037	1.7
58.22367	1.8
61.02926	15.3
69.03427	22.1
73.02898	4.1
81.03401	8.9
85.02893	100.0
91.03950	2.9
93.68604	1.7
97.02885	28.4
99.04430	7.3
103.05479	2.6
109.02872	10.0
109.98536	1.9
121.06488	57.4
127.03896	18.4
145.04941	22.2
163.05972	2.9
180.08650	7.3
187.07494	7.5
205.08583	2.2
229.08612	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
54.03903	0.2
55.01857	0.4
55.05488	0.2
56.84140	0.1
57.03421	1.1
60.04494	0.2
61.02903	1.3
69.03420	3.1
71.04964	0.4
72.08138	0.9
73.02903	0.2
73.11122	0.2
77.03923	0.2
79.05468	0.2
81.03408	1.4
81.07055	0.3
83.04963	0.2
85.02885	10.9
86.09675	0.2
87.04452	0.2
91.03889	0.3
91.05459	3.0
92.08662	0.2
93.07020	6.9
95.04957	1.6
95.08588	0.2
97.02874	3.2
97.59028	0.2
98.97569	0.2
99.04435	0.7
103.05443	3.7
105.07014	1.0
107.04884	0.2
107.08598	0.5
109.02832	0.9
114.35470	0.2
117.06970	0.3
119.08564	0.2
121.06480	100.0
122.06786	0.2
127.03890	1.0
131.08559	0.7
133.06441	1.0
133.10103	0.3
135.08025	0.3
135.16858	0.2
139.07526	4.3
143.08559	0.2
145.04953	0.8
145.06447	0.7
145.10085	0.4
147.08049	0.3
159.08011	0.7
159.11609	0.2
161.09549	0.7
163.07568	0.3
171.08037	0.3
173.13249	0.3
180.08681	0.2
187.07507	1.2
187.10956	0.2
191.10594	0.2
201.57503	0.2
205.08646	0.2
205.12282	0.3
215.66602	0.2
219.13741	0.3
247.13254	0.3
265.14362	0.4
283.15286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.5
53.03938	0.9
55.01867	0.6
55.05501	3.0
57.03429	0.5
57.07048	0.4
59.04987	2.4
61.63811	0.4
67.05496	8.5
69.07050	3.1
71.04964	3.6
79.05480	5.9
81.07040	17.9
83.04964	1.0
83.08579	0.6
87.04457	0.7
91.05464	6.6
92.09223	0.5
93.07030	8.6
95.04945	4.7
95.08594	5.1
97.06475	0.7
103.05454	53.2
105.04478	0.7
105.07011	8.2
107.08577	12.4
109.06513	4.0
109.10148	8.2
115.05375	0.5
119.08557	1.9
121.10130	0.4
123.08030	0.6
123.11700	7.2
131.04915	100.0
131.08574	0.9
133.10126	7.3
147.11687	0.5
149.05933	0.8
149.09572	0.5
151.11176	7.8
169.12282	1.6
222.51462	0.5
269.38708	0.6
275.65634	0.5
276.16571	0.8
317.17633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.4
53.03931	0.6
53.71645	0.3
55.05498	2.6
56.96550	0.4
57.07063	0.7
59.04985	2.6
67.05491	9.9
67.88119	0.3
68.85949	0.4
69.03410	0.8
69.07047	2.3
71.04987	3.6
73.31370	0.4
75.31503	0.3
79.05473	5.5
81.07039	19.0
83.08619	1.7
86.05626	0.4
87.04430	0.5
89.06733	0.4
91.05460	7.2
93.07035	7.5
95.04947	3.7
95.05431	0.4
95.08057	0.4
95.08574	3.4
100.55787	0.4
103.05447	52.3
105.04453	0.5
105.07007	8.8
107.08575	12.1
109.06490	3.0
109.10140	9.0
121.10115	0.7
123.11681	6.4
131.04906	100.0
133.10092	6.0
142.99048	0.4
151.11162	8.9
169.12212	1.0
234.23201	0.5
299.16287	0.9
317.17392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	0.9
55.05516	0.5
57.03425	3.9
61.02917	3.3
67.05488	0.5
69.03414	8.0
69.07044	2.1
71.04954	0.6
73.02911	1.1
73.74062	0.4
76.56317	0.5
79.05473	0.6
81.03397	3.0
82.06568	0.8
83.04961	0.6
85.02890	17.1
87.04447	1.9
91.03891	0.5
91.05439	1.9
92.08710	0.5
93.07021	5.0
95.04940	1.0
95.07363	0.6
95.08591	3.7
96.04482	5.0
96.08104	5.1
97.02871	5.5
97.05247	4.0
97.06496	2.5
99.04424	0.9
100.07600	2.3
103.05444	2.1
105.07001	0.8
108.08050	0.6
109.02869	1.0
110.05319	0.6
110.06029	9.9
110.09680	6.6
111.08051	2.5
117.06970	0.6
119.08543	0.8
120.08057	0.8
121.06482	27.5
125.08329	1.7
126.01970	0.4
126.09130	13.1
127.03912	3.2
138.09114	32.0
139.07529	3.2
145.05003	0.8
145.73465	0.5
152.10675	0.6
156.00645	0.4
156.10176	100.0
157.10144	0.5
161.10828	0.5
168.10199	0.9
180.10178	0.7
229.50032	0.5
265.14297	0.7
265.34921	0.4
318.15433	5.1
323.08926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.3
54.57492	1.3
57.03420	7.4
61.02924	11.7
69.03412	21.8
71.04981	2.4
73.02882	3.5
81.03394	8.3
82.28889	1.3
85.02889	100.0
87.04459	1.4
91.03925	3.3
91.05438	2.0
93.07020	6.0
97.02868	22.7
99.04418	2.2
105.02485	1.5
109.02898	10.5
121.06480	70.8
127.03910	14.9
145.04961	14.5
145.06451	1.5
159.08096	2.3
163.05962	3.2
174.57845	1.6
179.06874	1.9
180.08786	1.5
183.37450	1.4
187.07524	13.9
205.08604	6.6
247.09615	6.0
259.51913	1.5
265.10736	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09344	0.3
52.95412	0.2
53.03931	1.4
55.01860	0.4
55.05500	2.7
57.07059	0.4
59.04990	2.3
65.03911	0.4
65.30423	0.3
67.05499	6.5
69.03412	1.3
69.07048	3.1
71.04667	0.3
71.04983	4.1
77.03895	0.4
79.05477	5.6
80.70300	0.3
81.07037	16.1
83.04956	0.7
83.08621	0.7
84.44505	0.3
86.72439	0.3
91.05464	5.5
92.09229	0.5
93.07018	6.1
95.04948	3.1
95.08591	3.4
97.06490	0.4
103.05451	53.0
104.77592	0.3
105.04488	0.5
105.07005	8.3
107.08579	10.9
109.06487	4.2
109.10152	8.0
111.08119	0.4
117.06965	0.4
119.08549	0.4
121.10131	0.5
123.08049	1.1
123.11708	6.2
131.04904	100.0
133.10101	5.1
137.05937	0.4
149.09628	0.4
150.38101	0.3
151.11162	8.0
169.12196	1.2
192.55032	0.3
234.77763	0.3
299.16373	0.7
317.13870	0.5
317.17499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04490	0.4
51.02371	0.5
53.03937	0.8
53.94312	0.4
55.05489	2.4
57.03411	0.5
57.07049	0.8
59.04971	2.8
65.03938	0.6
67.05492	9.3
69.03419	2.6
69.07058	4.1
71.04973	4.2
79.05476	5.4
81.06599	0.9
81.07043	18.1
83.08583	0.9
83.21776	0.4
87.04482	0.5
87.47203	0.5
88.77280	0.5
89.56205	0.4
91.05460	6.8
93.07023	6.7
95.04947	3.1
95.08600	3.5
103.05452	54.8
105.07011	10.3
107.08579	11.7
109.06487	3.0
109.10155	7.7
119.59355	0.5
121.10136	0.5
123.08047	1.0
123.11687	6.9
131.04906	100.0
131.56851	0.4
133.10091	5.2
151.11153	7.4
169.12169	1.0
214.69504	0.6
218.16283	0.5
301.16293	0.5
317.17401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
67.05499	15.2
69.07051	2.1
71.04977	7.1
79.05474	2.0
81.07027	11.9
83.04971	2.3
85.02878	1.7
91.05453	6.0
93.07023	2.0
95.04919	1.1
103.05449	49.5
105.07006	11.5
107.08549	8.6
109.06492	1.5
109.10130	21.6
123.11694	2.5
129.52875	1.2
131.04901	100.0
133.10112	11.8
151.11172	5.0
169.12186	1.8
213.44545	1.3
264.12680	1.2
317.17407	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	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
54.82197	0.3
55.01865	0.4
55.05499	2.0
56.96541	0.3
57.07060	0.4
59.04981	0.4
63.43265	0.3
65.03892	0.3
67.05502	3.0
69.07063	2.3
71.04973	4.7
77.03918	0.3
79.05469	3.8
81.03383	0.4
81.07040	7.1
83.04957	1.2
91.05458	2.8
91.22190	0.2
93.07014	3.8
93.71979	0.3
95.04926	2.1
95.08573	2.5
98.72671	0.3
103.05450	48.0
105.07011	3.3
107.08579	3.8
107.98885	0.3
109.06512	3.5
109.10143	1.2
111.08067	0.3
117.06933	0.3
119.08547	1.3
121.06474	0.4
121.10130	0.7
122.12397	0.3
123.11694	2.0
131.04904	100.0
131.08592	1.2
132.05223	0.3
133.10077	2.0
138.02362	0.3
141.60660	0.3
145.10042	0.5
149.09621	0.5
151.11157	7.0
155.08510	0.3
165.09090	0.3
175.11096	0.3
183.29369	0.4
187.14796	0.3
193.15910	0.5
243.17415	0.3
261.18414	0.4
299.53333	0.3
301.95038	0.3
317.17490	0.4
317.21130	0.6
326.43604	0.3
329.45178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82991	0.6
53.00285	0.6
53.03928	0.8
55.01877	0.7
55.05494	4.8
57.07070	1.6
57.89921	0.5
59.04979	2.7
60.20693	0.5
62.43092	0.6
64.33897	0.8
67.05496	14.6
69.03414	4.3
69.07063	4.9
71.04975	5.5
79.05479	11.5
81.07039	33.0
83.04958	1.2
83.08595	1.3
83.47326	0.6
85.06562	0.6
87.04444	0.9
91.05468	11.7
93.07022	15.8
95.04958	5.1
95.08598	8.5
97.06544	0.9
99.08070	1.3
103.05452	50.1
105.07008	15.6
107.08581	21.7
109.06519	5.8
109.10146	12.9
111.08039	0.7
113.05949	0.9
117.07011	0.8
119.08565	3.2
121.10136	2.6
123.08065	0.9
123.11678	10.1
128.14568	0.7
131.04906	100.0
131.08565	3.8
132.05280	1.0
133.10112	10.6
135.11661	1.2
137.09601	0.9
137.99358	0.6
143.08504	0.9
145.10110	2.5
147.07983	0.8
149.09625	2.9
151.11176	8.5
151.14651	0.7
159.11691	1.1
169.12244	2.5
171.11778	0.6
186.36409	0.7
193.03540	0.7
201.16321	0.9
239.17249	0.7
299.16388	0.9
299.19815	1.1
317.17465	2.3
317.21063	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	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05511	4.6
56.18233	0.3
57.03411	0.5
57.07060	1.7
67.05145	0.6
67.05494	17.1
67.11687	0.3
69.03391	0.6
69.07051	7.0
71.04975	4.9
79.05478	6.2
81.07037	18.1
83.04999	2.6
83.08613	0.5
85.02881	2.4
85.06524	2.5
91.05461	8.7
93.07021	7.1
95.04954	3.1
95.08565	2.9
97.06509	0.9
103.05452	59.2
105.03402	0.4
105.04521	0.6
105.07011	14.7
107.08578	14.1
109.06467	2.8
109.10145	23.2
113.05975	0.5
113.09593	0.4
119.08572	1.6
121.10109	0.9
123.11672	2.7
127.07561	0.7
128.87956	0.4
131.04907	100.0
131.08566	2.3
133.10104	15.5
135.11687	1.7
141.12729	0.7
147.07970	0.6
149.05966	1.8
151.11179	6.6
152.85991	0.4
159.11697	0.4
169.12241	5.1
202.03418	0.4
249.87570	0.5
265.64963	0.4
317.17419	2.0
317.20877	0.6
317.32394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
52.92571	1.3
53.03931	2.0
55.01859	3.6
55.05505	1.7
65.92539	1.3
66.55726	1.3
67.05498	3.6
69.03413	2.7
71.04979	1.6
79.05462	6.2
81.07023	15.1
85.02882	10.4
91.05457	34.8
92.63323	2.0
93.03373	1.7
93.07031	8.0
94.04147	2.1
95.04929	11.5
95.08575	3.9
97.02858	2.7
98.97548	7.2
103.05447	6.5
105.07018	6.6
107.04976	3.8
107.08563	1.7
109.06488	2.6
116.98596	3.4
117.06978	2.3
119.04906	17.9
119.08595	2.3
121.06481	16.4
122.03618	10.7
123.04385	12.5
128.06204	3.5
129.06963	20.5
131.04890	2.8
131.08556	2.5
133.06429	2.0
135.04422	8.3
135.11685	2.0
136.05167	2.2
137.05952	100.0
137.13228	1.8
145.06512	1.9
147.04396	34.3
147.08069	6.4
149.05960	17.3
150.06735	6.6
151.07497	36.4
155.08551	2.8
157.06480	7.5
161.05975	3.8
163.07549	2.3
165.06920	22.1
166.07660	1.9
167.08519	10.1
169.06480	1.8
175.07484	22.2
178.07808	6.6
181.06509	1.8
182.07242	3.1
183.08046	6.0
188.70621	1.8
193.06517	10.1
193.08453	2.8
193.10118	3.8
195.08018	10.8
197.05991	2.7
198.06773	2.6
210.06783	7.7
211.07516	10.2
213.09097	6.8
221.06047	13.7
221.09570	8.6
223.07506	2.4
225.09030	6.5
238.06133	3.4
239.06833	12.5
241.08542	2.4
249.09106	2.2
253.03999	2.1
253.08618	11.0
253.12172	7.0
271.05042	2.7
271.09628	16.2
273.11188	9.3
299.12790	9.3
299.18796	1.8
302.04108	6.5
317.02988	3.2
317.06488	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	317.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
55.05503	0.8
56.96547	1.3
57.03419	0.9
58.95116	0.6
61.02908	1.0
66.07337	0.7
66.35754	0.8
67.05502	1.6
69.03420	3.5
70.06595	0.8
71.04958	1.1
72.08162	0.7
79.05467	3.4
81.07033	3.1
83.04996	1.2
84.08101	0.8
85.02883	4.3
86.09705	1.2
91.05421	1.7
93.07028	1.8
95.04939	1.6
95.08585	1.7
97.02848	1.2
97.06545	1.5
99.04402	1.3
105.06998	1.7
107.04946	1.3
109.06462	1.4
109.10137	1.0
110.06086	1.0
119.08588	1.0
123.22829	0.7
127.03964	0.8
130.22083	0.7
131.08507	0.9
135.04422	1.6
136.07591	1.4
137.09575	3.0
145.10121	0.9
147.08026	0.7
153.10313	0.9
155.03363	3.2
155.04536	0.8
155.06958	26.1
163.03889	3.2
182.93542	0.8
185.04161	6.2
203.05272	4.6
317.12009	100.0
317.15244	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	316.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17927	2.0
53.00290	2.3
53.03924	2.8
54.81727	2.4
55.01860	5.7
55.05501	31.7
56.96557	19.5
57.03416	10.6
57.07061	8.9
59.04979	10.0
59.12709	2.1
60.04507	13.1
64.57388	2.3
65.03906	2.5
67.05492	56.4
69.03388	3.0
69.07053	41.1
71.04971	15.8
73.06539	27.9
75.04456	2.9
75.78257	2.4
76.56392	2.3
79.05472	52.1
81.03365	3.1
81.07035	83.3
83.04949	26.6
83.08588	12.1
85.06522	5.7
91.05457	83.3
93.07018	84.1
93.07567	4.0
95.04925	23.1
95.08582	55.7
97.06522	12.6
98.97583	4.5
99.04430	16.4
103.05461	9.4
105.07011	100.0
107.04944	6.0
107.08578	63.0
108.08966	3.7
109.06498	20.3
109.10128	47.3
111.08056	9.2
115.05479	8.8
116.98618	2.8
117.06998	43.3
119.08565	65.9
121.06489	11.5
121.10111	25.1
123.08046	3.8
123.11630	4.0
128.06190	5.1
129.07004	16.3
130.07785	12.6
131.04869	4.6
131.08537	68.7
133.10121	35.5
135.08028	2.6
135.11690	9.8
137.09608	13.5
142.07776	4.6
143.08516	9.7
144.09344	10.7
145.10106	69.5
147.11641	5.3
149.09654	12.9
151.05499	2.3
151.11174	13.4
157.10112	12.3
159.11664	57.6
161.13239	8.5
163.11189	9.2
173.13216	14.8
175.14804	9.9
177.12671	3.1
177.16357	4.5
199.14751	5.4
201.16396	43.3
217.15822	4.5
219.17357	13.8
249.18559	2.8
275.16119	45.4
311.15314	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0626
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05507	2.4
57.03435	2.7
61.13175	1.7
61.62737	1.7
62.87254	1.6
63.37379	1.5
67.05486	2.9
68.36972	1.8
69.03409	4.3
73.02895	3.0
76.56143	1.8
79.05479	4.0
81.07028	10.5
83.04968	2.5
85.02866	6.8
86.09702	3.0
91.05455	4.4
93.07033	2.4
95.04916	2.5
95.08552	8.3
97.07596	1.6
105.07007	3.4
107.08589	2.1
109.10144	2.0
121.06508	2.7
121.13171	1.7
137.02315	4.3
137.05917	3.9
137.09586	12.8
138.09109	2.3
145.10092	2.0
146.07693	1.9
153.01831	2.1
159.08031	2.0
165.05438	2.0
171.11705	2.1
175.11168	2.4
192.33548	1.9
228.04175	9.2
229.04958	3.5
245.04475	3.2
265.40323	1.9
274.04663	12.2
301.03320	30.8
302.04187	62.5
317.06491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01870	2.5
55.05259	1.6
55.05500	13.0
55.05731	1.5
56.96536	1.6
57.07071	3.2
60.04515	2.3
61.77042	1.4
65.03923	2.2
67.05494	26.1
69.03416	4.1
69.07054	20.5
71.04977	21.0
72.80326	1.3
76.68077	1.4
79.05473	28.9
81.07033	28.1
83.04974	4.0
83.08610	2.0
85.06516	2.9
87.04444	1.8
91.05457	33.3
93.07019	57.1
95.04955	13.4
95.08587	25.5
97.06507	6.9
99.04433	21.6
103.05454	2.6
105.07014	49.1
106.07816	14.3
107.08575	38.5
109.02837	3.9
109.06509	32.8
109.10152	24.1
110.03580	5.1
111.08057	6.8
113.66564	1.8
117.07012	9.4
119.04895	7.6
119.08556	41.4
121.05709	1.8
121.06470	13.8
121.10121	30.2
123.08028	16.0
123.11710	1.9
124.08826	10.7
125.05967	7.7
129.03621	1.7
129.06956	2.1
131.08562	22.3
132.09344	1.9
133.06479	3.3
133.10107	21.9
134.07257	7.0
135.08031	8.5
135.11652	16.8
136.08855	2.0
137.05956	100.0
137.09596	8.4
139.07523	1.9
142.07777	6.6
143.08537	7.5
144.09352	1.7
145.10129	17.3
145.65648	1.7
147.07991	3.8
147.11656	18.8
149.06104	1.5
149.09595	8.4
149.13332	2.1
151.07454	1.7
151.11125	1.7
152.08290	36.3
153.09145	1.7
156.09346	2.8
157.10118	7.4
159.08043	2.9
159.11626	6.3
161.09592	7.2
163.11172	23.4
164.11967	3.4
173.13251	3.5
174.10521	1.9
175.11128	3.5
175.14807	6.8
177.09084	1.7
179.10539	1.7
181.12199	59.2
191.14281	7.6
194.13062	2.2
201.12810	5.9
205.11978	1.8
205.15906	2.3
207.13829	6.6
210.12398	2.3
217.15833	2.0
219.10590	1.7
219.13776	2.1
234.16168	2.1
247.12997	26.0
272.85266	1.9
275.16104	13.3
293.14334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03430	50.1
59.04997	0.7
59.43633	0.6
60.36720	0.6
61.02911	10.0
67.55397	0.7
68.35855	0.7
69.03416	21.5
69.07050	0.8
69.50893	0.7
71.01331	4.2
71.04968	1.0
73.02900	100.0
75.32702	0.9
76.21107	0.6
77.45145	0.7
79.05474	3.6
80.26337	0.6
81.07038	1.5
85.02897	16.3
87.04464	1.5
90.03101	0.9
90.73314	0.7
91.05472	1.8
93.07046	0.7
95.04926	0.7
96.04477	1.1
97.02873	17.9
103.05451	11.3
105.07011	1.7
107.04954	3.2
107.08595	0.9
115.03907	23.8
117.50298	0.8
120.26177	0.8
121.06483	54.5
129.06943	0.9
131.04889	4.6
132.06529	1.8
133.04982	7.6
136.07474	0.9
139.07483	0.8
143.08578	1.2
145.06551	1.1
149.05972	2.9
150.07605	4.3
153.06958	0.9
153.11684	0.8
154.08633	4.4
157.10110	0.8
161.09647	0.9
163.07501	1.4
165.96405	0.8
167.06995	6.1
184.09660	5.7
199.07526	0.9
217.08582	0.9
245.08028	6.9
263.12759	1.2
268.73468	0.7
316.14078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.1
55.05507	75.0
57.07069	52.4
57.43071	0.9
66.30047	0.9
67.05498	2.4
69.07056	100.0
71.08616	25.1
79.05508	1.3
81.07034	5.5
83.08607	58.8
85.10171	11.0
93.07026	2.0
95.08588	2.3
97.09521	1.9
97.10150	51.4
103.05441	4.0
107.08632	1.9
109.10171	1.2
110.57582	1.1
111.11708	19.8
119.08592	1.6
121.10159	1.3
125.13248	5.8
131.04893	6.1
131.08595	1.1
328.06296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01859	3.6
57.03427	7.5
58.32016	1.5
61.02911	13.8
65.14510	1.7
67.72340	1.7
69.03421	23.5
71.04971	3.2
73.02908	3.5
81.03411	8.8
85.02893	100.0
91.03937	3.1
91.05489	2.2
97.02878	27.0
98.97558	3.0
99.04440	2.4
109.02887	6.5
123.04480	2.1
127.03906	18.6
133.22652	2.0
137.05965	9.3
145.04926	28.9
154.08627	2.7
163.06055	2.2
180.08650	10.0
281.10376	1.8
309.67538	1.9
316.13748	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	315.2317
Annotation	Cardol triene
Peak:m/z	Relative Intensity
52.44912	1.4
55.01873	14.6
55.05492	3.6
57.07058	2.1
59.04951	2.2
67.05491	20.2
67.26633	1.7
69.03407	2.3
69.07057	28.0
79.05485	15.6
81.03393	2.7
81.06608	2.2
81.07045	55.7
83.04967	12.7
83.08575	2.2
85.89382	1.6
91.05472	21.7
93.07033	41.3
95.04944	10.8
95.08591	16.6
97.06521	3.7
103.05443	25.3
105.07036	23.0
107.04948	3.2
107.08579	30.0
109.02875	3.1
109.06507	10.5
109.10143	22.6
117.06979	3.3
119.08588	16.6
121.06492	4.4
121.10147	14.0
123.04405	19.1
123.08057	8.8
123.11691	4.3
125.09599	16.7
125.36487	1.6
129.06993	3.7
131.04912	62.0
131.08536	7.4
133.06459	2.4
133.10115	26.1
135.08051	3.0
135.11644	4.1
137.05991	4.3
137.09624	2.2
137.13249	9.7
143.08524	4.3
145.10112	7.7
147.11678	3.8
149.13234	4.4
151.07544	3.0
151.11186	11.2
157.10085	1.8
161.09573	12.9
161.13277	4.0
163.14801	2.5
179.10641	44.2
193.12187	2.5
269.22461	6.4
297.22110	16.1
297.25049	1.9
315.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Chromazonarol
Peak:m/z	Relative Intensity
52.89514	1.0
53.03923	2.2
53.40345	0.9
53.63223	0.8
55.01871	15.7
55.02124	1.5
55.05492	5.2
57.07048	2.4
59.04987	2.4
67.05488	16.5
69.03415	2.4
69.07054	25.1
72.33207	1.2
76.22034	1.2
79.05477	10.6
81.03397	5.2
81.07036	54.5
83.04955	7.9
83.08604	2.5
91.05455	15.5
93.07024	25.9
93.82635	1.2
95.04946	12.7
95.08593	15.0
97.06524	8.8
103.05436	5.5
105.07013	19.9
107.04942	1.6
107.08582	27.6
109.02840	7.4
109.06509	15.9
109.10151	21.7
111.08063	1.3
117.07004	2.6
119.08569	16.6
121.06496	5.7
121.10088	5.1
123.04398	14.3
123.08055	5.2
123.11665	8.6
125.09602	13.3
127.03893	2.0
129.06956	4.7
131.04907	12.6
131.08513	4.8
132.57314	1.1
133.06485	2.0
133.10098	24.3
135.08014	5.0
135.11713	2.6
135.96269	1.4
137.05957	5.8
137.09598	11.7
137.13240	11.7
141.05405	1.8
143.08568	5.2
145.10143	2.9
147.08022	1.5
147.11652	1.6
149.09650	2.0
149.13208	2.8
151.11174	9.0
153.09135	1.9
155.08498	1.5
157.10130	2.0
159.11694	2.4
161.09598	12.5
163.11052	1.6
163.14761	1.8
167.10629	1.4
171.11650	1.6
175.11188	2.6
179.10645	28.9
187.14861	1.7
191.14137	2.0
193.12251	5.3
195.11586	1.6
205.15891	1.6
219.17337	1.2
241.15640	2.2
297.22153	12.3
315.23135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Cardol triene
Peak:m/z	Relative Intensity
53.00283	0.9
53.03936	1.5
54.81696	0.8
55.01867	15.6
55.05494	5.1
57.03405	0.9
57.07056	2.0
59.04983	1.9
59.44473	0.9
67.05493	16.8
69.03432	3.0
69.06717	1.3
69.07059	29.6
72.91124	0.8
75.23177	0.7
79.05122	0.8
79.05479	12.0
81.03396	5.8
81.07042	53.3
81.07535	1.7
83.04975	7.5
83.08595	3.6
85.02876	1.1
87.18450	0.8
91.05468	19.1
93.07027	27.8
95.04940	11.1
95.08586	15.7
97.06483	6.1
99.04398	1.0
99.08089	1.0
100.94521	0.8
103.05466	1.3
105.07016	17.5
107.04943	1.9
107.07859	1.5
107.08575	27.1
109.02860	5.8
109.06508	17.3
109.10139	21.5
111.04410	2.0
111.08125	1.0
114.87581	0.8
116.21387	0.8
117.06974	6.5
119.08543	15.2
121.06506	6.9
121.10093	5.8
123.04403	13.9
123.08028	5.6
123.11678	9.3
125.05924	1.5
125.09595	17.0
127.03927	6.8
127.04689	0.8
128.06238	1.2
129.06958	3.5
131.08530	6.0
133.06503	4.1
133.10112	25.8
135.08043	7.2
135.11685	5.1
137.05948	5.7
137.09602	10.0
137.13239	8.2
141.05405	1.6
143.08531	5.7
145.10115	4.9
146.07228	1.4
147.08028	1.0
147.11655	4.6
149.09650	1.8
149.13219	3.6
151.07559	1.0
151.11180	10.4
153.09058	3.3
157.10092	4.4
159.11710	3.3
161.09583	10.9
161.13193	1.5
163.14754	1.7
167.08575	1.1
173.13148	1.0
175.11214	1.8
175.14726	1.2
179.10638	35.3
185.13182	3.9
187.14833	1.2
191.14389	1.5
193.12228	3.9
199.14783	1.5
241.15878	1.7
269.22543	1.4
279.20880	1.5
297.22110	11.8
305.38998	0.9
315.23132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2318
Annotation	Cardol triene
Peak:m/z	Relative Intensity
53.03944	1.5
54.81183	1.3
55.01869	14.0
55.05500	5.4
57.03411	1.1
57.07074	1.8
59.04989	1.7
64.32740	0.8
67.05495	17.0
69.03415	5.2
69.07057	25.3
71.04958	1.1
76.55457	1.0
79.05477	9.5
81.03413	5.0
81.07045	51.1
83.04968	9.4
83.08576	1.1
83.51807	0.9
86.42944	0.9
90.80788	0.8
91.05474	12.3
92.08691	1.2
93.07025	28.3
95.04964	10.1
95.08584	14.9
97.06499	6.4
103.05424	1.6
105.07016	19.1
107.04974	1.5
107.08589	24.3
109.02901	6.8
109.06510	13.6
109.10152	20.8
111.04442	1.2
111.08064	1.0
117.07039	4.2
119.08559	13.8
121.06482	4.8
121.10121	6.1
123.04426	13.8
123.08042	3.8
123.11678	7.6
125.09626	13.2
127.03894	4.9
128.06181	1.7
129.07019	1.6
131.04941	1.8
131.08539	7.5
133.06488	2.0
133.10117	20.1
133.11031	1.2
133.67764	0.9
135.08020	4.6
135.11693	4.5
137.05991	7.1
137.09590	8.3
137.13213	10.6
141.05481	1.5
141.06979	1.4
143.08557	5.7
145.10110	1.9
146.07283	1.2
147.08073	1.7
147.11703	4.2
149.09615	1.4
149.13260	1.8
151.11182	7.8
153.09090	1.9
157.10106	1.7
159.11662	3.8
161.09602	10.2
163.14848	1.7
171.11729	3.2
173.13280	1.7
175.11153	1.1
179.10648	33.9
179.12120	1.7
183.11691	1.3
183.60120	0.9
185.09656	1.2
185.13211	1.6
187.14792	1.1
189.12758	1.2
191.10710	1.0
193.12262	3.5
199.14828	1.0
201.09605	0.9
203.14301	1.1
205.15852	3.7
219.17348	1.2
223.14818	0.9
223.49995	0.9
247.57562	1.1
269.22574	3.8
297.22092	13.6
314.33844	1.0
315.23154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
51.05037	0.2
53.00295	0.2
53.03940	1.1
55.01870	0.4
55.05503	1.7
56.37132	0.2
56.96560	0.5
59.05003	1.8
65.03922	0.3
67.05490	2.4
69.03416	0.9
69.07051	1.6
76.40195	0.2
77.03896	0.3
79.05478	5.5
81.03400	1.2
81.07043	4.4
83.04968	1.3
86.85510	0.2
91.05461	5.9
93.07026	6.1
94.35459	0.2
95.04948	3.1
95.08585	2.1
97.06522	0.2
98.97534	0.3
99.04403	0.2
103.05452	50.1
105.07015	4.7
107.04945	0.9
107.08580	4.9
109.06493	0.5
109.10113	0.3
111.04391	0.5
115.05450	0.2
116.06200	0.7
119.08556	0.8
121.06514	0.3
121.10126	2.7
123.08039	0.5
129.06966	0.4
131.04909	100.0
131.08528	2.7
132.05222	0.3
137.09628	0.3
145.10062	0.2
149.06007	0.3
149.09627	3.8
159.17714	0.2
167.10616	1.8
198.96259	0.2
315.15955	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	315.2316
Annotation	Chromazonarol
Peak:m/z	Relative Intensity
50.68904	1.0
53.03941	1.4
53.33033	0.8
54.67950	0.8
55.01866	16.4
55.05497	5.5
57.07055	3.7
59.05002	1.1
67.05489	14.0
67.09502	0.9
68.41248	0.9
69.03409	4.7
69.07053	22.9
79.05476	11.2
81.03396	4.9
81.07040	44.4
83.04964	8.2
83.08603	3.6
84.78300	0.9
91.05455	11.8
93.07024	20.2
95.04953	13.3
95.08581	16.2
97.06503	7.4
103.05450	5.3
105.07024	15.8
107.04930	2.0
107.08569	22.6
109.02856	6.8
109.06501	16.5
109.10140	16.0
111.04393	1.7
112.03750	1.0
117.06999	4.6
119.08564	14.7
121.06489	4.3
121.10117	4.9
123.04403	13.3
123.08069	3.9
123.11705	8.8
125.09614	7.6
127.03899	4.0
128.06219	2.0
129.07008	1.1
131.04887	11.4
131.08548	4.7
133.06577	1.2
133.10112	17.8
135.08054	4.7
135.11642	2.2
137.05977	6.1
137.09579	10.3
137.13229	6.8
143.08536	2.4
145.10083	2.2
146.07242	1.2
146.44299	0.9
147.08035	2.0
147.11639	3.8
149.09610	2.5
149.13261	2.3
149.22145	1.0
151.11154	10.2
157.10081	1.1
159.11665	2.1
161.09630	11.6
167.10678	1.2
169.08708	1.3
175.14690	1.1
179.10645	36.1
185.13179	1.4
189.45328	1.1
193.12213	3.7
205.15948	1.9
297.22055	6.7
315.23126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80150	0.7
56.96568	0.7
66.78857	0.7
66.79272	0.7
67.05490	1.0
67.34386	0.7
68.88124	0.7
69.03413	3.2
70.27077	0.8
79.05457	1.1
85.02885	4.7
91.05473	1.5
93.07043	3.4
95.08585	0.9
97.02856	1.1
98.97614	1.0
99.04436	1.3
105.07004	1.3
107.04963	1.8
107.08565	1.9
116.98599	1.4
121.06473	1.5
135.11716	1.4
145.10112	1.2
159.07935	1.3
173.09633	1.1
183.39789	0.7
189.89163	0.8
219.41124	0.7
294.36478	0.9
315.14090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01672	0.3
55.01870	5.0
55.05503	2.8
57.03424	1.8
64.03699	0.3
65.03925	1.0
67.05495	3.6
69.07059	5.8
71.04990	2.9
79.05478	39.1
81.07047	2.9
83.04974	3.4
84.24585	0.4
85.02422	0.6
85.02897	12.4
91.05460	12.2
93.07030	21.5
95.04949	4.4
95.08575	1.6
97.06512	0.6
99.04445	3.7
103.05456	58.9
105.07009	16.6
107.08585	73.2
109.06500	3.1
111.04460	2.9
119.06048	0.9
121.10130	10.6
125.05943	0.5
125.09586	0.7
131.04910	100.0
131.08537	4.0
149.06013	0.6
149.09610	17.7
167.10651	2.4
285.13467	0.5
315.15912	4.1
315.19199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.2
51.89579	0.2
53.03940	1.1
55.01865	0.3
55.05508	1.5
56.45892	0.2
56.96558	0.8
57.47213	0.2
67.05499	4.2
69.03422	0.3
69.07059	0.5
79.05473	2.8
81.03404	0.5
81.07039	2.8
83.04948	0.4
91.05462	4.9
93.07025	4.0
93.36955	0.3
94.07356	0.5
95.04954	3.2
95.08610	0.9
99.08080	0.4
102.04699	0.3
103.05450	51.6
105.04496	0.5
105.07002	2.7
106.07297	0.3
107.08577	1.6
107.37880	0.2
109.06517	0.4
109.10147	0.6
111.08080	0.4
116.98630	0.2
117.06987	0.4
119.08558	1.3
121.06493	0.4
121.10142	1.1
121.61725	0.2
122.10512	0.3
123.08001	0.3
127.07491	0.5
131.04907	100.0
132.05182	0.2
133.10078	0.4
135.08029	0.5
145.10095	0.8
149.06018	1.2
159.11761	0.3
201.16527	0.4
201.22438	0.3
209.34937	0.3
267.58463	0.2
269.10693	0.3
287.11551	1.6
315.15887	8.7
315.19296	1.0
315.22928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01863	1.2
55.05498	1.1
55.14454	0.6
57.03411	1.0
67.05491	2.4
68.18707	0.7
69.03418	0.9
69.07051	1.1
71.04960	1.2
77.03911	0.9
79.05484	7.3
81.07012	4.3
83.04975	1.2
85.02879	3.4
91.05460	12.6
92.09277	1.3
93.07019	7.4
95.04929	4.3
95.08576	1.1
103.00157	0.7
103.05461	1.0
105.03333	0.9
105.07010	28.4
107.04951	1.3
107.08565	6.5
108.05719	1.5
109.06484	5.5
109.10085	1.1
115.05378	1.0
117.06992	1.0
119.04932	7.5
119.08578	2.6
121.06464	4.4
121.10113	0.9
123.04394	4.1
123.08031	1.6
131.08540	1.0
131.76105	0.8
132.02002	1.4
133.06473	18.3
135.04337	0.8
135.11571	0.8
136.05180	10.2
137.05952	29.6
140.03888	0.7
141.06984	0.8
143.08556	1.1
145.10141	0.9
147.04379	6.4
149.05945	1.1
151.07515	61.8
152.06192	1.2
153.06924	1.2
161.06006	0.9
162.19081	0.7
164.04671	3.1
165.05460	14.0
165.06876	2.4
165.09039	7.3
166.06293	0.7
166.07660	0.9
167.07030	16.4
167.08406	2.3
175.07484	0.9
178.07727	5.8
179.07001	100.0
181.10104	0.9
182.07152	1.0
183.06453	1.4
183.07977	0.8
190.06227	3.8
190.07793	1.2
191.06993	1.4
191.08524	4.6
193.04916	0.9
193.08559	2.5
193.10086	3.6
194.07181	1.4
195.02832	1.7
195.08011	3.0
197.08023	6.3
199.07617	0.8
201.09152	1.0
202.07774	1.4
202.09735	0.9
203.08487	2.9
204.09322	3.8
205.06529	1.2
206.07253	3.6
207.06505	3.5
209.08028	13.6
209.09659	1.0
210.06688	3.0
210.08565	1.0
211.07588	0.9
211.09489	1.0
213.09125	0.7
219.08034	8.3
219.11667	1.4
221.09569	7.1
225.07465	78.6
226.08249	3.5
229.10022	0.9
231.07910	0.9
232.08755	4.0
238.09821	0.7
240.02922	0.8
246.12556	1.1
247.11108	6.7
247.84804	0.9
251.08800	15.1
253.12233	2.7
254.41325	0.7
264.11530	0.9
265.12201	1.2
269.10025	9.9
271.13135	1.2
279.13513	1.0
315.15717	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	314.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01850	5.0
55.05506	12.7
56.96546	1.8
56.97216	0.8
57.07059	4.3
59.04981	5.7
67.05493	15.6
69.03411	1.6
69.07056	20.3
71.04976	59.8
79.05477	20.5
81.07036	49.8
83.04963	1.9
83.08604	6.3
85.06526	1.7
91.05463	30.2
93.07023	100.0
95.04963	9.9
95.08582	31.8
95.83408	1.0
97.06508	6.2
97.10147	5.1
98.97559	1.4
101.06046	1.0
103.05430	9.6
105.07018	29.6
107.08581	70.1
108.81650	0.9
109.06490	5.3
109.10142	21.4
110.09647	1.1
111.08056	18.1
116.98645	1.0
117.06987	5.1
119.08569	20.4
121.06503	1.4
121.10122	35.8
123.08066	3.7
123.11677	1.3
125.09599	1.4
129.06981	1.1
130.07741	2.3
131.04893	15.7
131.08540	12.4
133.10107	9.5
134.99602	1.2
135.07985	1.6
135.11658	4.2
137.09558	1.1
137.13232	9.5
143.08548	1.0
145.10106	26.6
147.11670	4.7
149.09630	1.2
149.13237	32.5
151.11160	1.2
157.10074	1.4
157.40100	1.1
159.08040	1.1
159.11642	19.2
161.13223	7.8
167.14305	8.4
173.13156	7.3
175.11140	2.2
175.14720	1.1
192.92577	1.2
201.16385	12.4
209.15308	1.3
219.17381	9.7
244.73236	1.0
255.51436	1.0
302.42438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01866	7.4
55.05508	6.6
56.96545	0.5
57.07056	0.7
59.04994	0.3
62.07172	0.3
65.03921	0.3
65.55038	0.3
67.05498	3.2
69.03424	0.6
69.07059	2.4
71.05005	0.4
79.05484	4.8
81.03390	0.4
81.07042	10.6
81.07526	0.4
83.04984	0.4
83.08604	5.6
85.06526	1.4
91.05467	26.6
93.07026	100.0
95.04949	11.0
95.08599	1.1
98.97569	0.8
101.32981	0.3
102.35156	0.3
103.05456	0.6
105.04479	2.2
105.07021	0.8
107.08577	3.0
109.06537	0.6
109.10169	0.6
110.09658	1.5
111.08068	36.9
113.88159	0.3
116.98617	0.5
119.08568	0.5
121.10092	0.3
123.11673	0.3
128.10666	0.8
135.11746	0.6
181.35023	0.3
273.14444	0.6
328.19757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.3
53.03926	1.2
55.01861	1.0
55.05503	8.7
56.96545	5.8
57.07059	2.3
61.02937	1.2
67.05490	33.1
68.68935	1.0
68.98183	1.0
69.06707	1.9
69.07053	26.2
71.04966	12.2
71.08619	4.3
79.05473	8.6
81.06591	1.7
81.07041	28.2
82.06750	1.0
83.04928	1.8
83.08618	11.0
85.06527	10.1
91.05457	13.4
93.07022	30.1
95.04942	2.2
95.08589	19.5
97.06500	2.0
98.97601	1.3
103.05451	12.6
104.05799	1.3
105.07021	39.7
107.08575	22.5
109.06501	5.4
109.10143	100.0
111.08057	22.9
117.06990	9.1
119.07708	2.0
119.08562	50.0
121.06490	2.0
121.10130	22.6
123.11669	1.9
125.09660	1.2
127.11155	9.8
129.06941	2.1
130.07779	4.0
131.04913	20.9
131.08551	17.1
132.05211	1.9
133.10110	18.4
135.08054	6.4
135.11668	14.6
137.09601	8.5
144.09320	2.4
145.10106	77.6
147.11671	6.4
149.09613	2.0
149.13193	1.8
159.11667	57.9
161.09554	1.2
161.13228	25.4
163.11157	5.1
173.13257	2.1
175.14696	3.3
177.12714	4.7
177.16367	5.8
179.14296	1.3
191.17894	18.4
201.16359	40.3
219.17397	22.7
237.18459	21.6
273.14557	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	314.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01867	9.7
55.05504	17.0
64.33659	0.9
67.05482	4.2
69.07049	1.0
71.04967	3.9
79.05453	3.2
81.07043	8.8
83.08115	1.5
83.08602	36.2
85.06534	1.9
91.05457	28.1
93.07021	100.0
95.04939	10.2
105.04482	1.8
105.06970	1.0
107.08566	1.6
110.09636	0.9
111.08064	36.1
134.02097	0.7
135.11703	0.9
190.82863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01867	8.0
55.05511	12.0
56.96571	0.8
61.11221	0.5
67.05508	4.1
67.05805	0.5
67.55034	0.5
69.07050	3.5
71.04980	2.5
72.04526	0.6
79.05472	5.2
81.07042	12.0
83.08611	24.1
85.06536	2.3
91.05464	33.4
93.07027	100.0
95.04952	10.1
95.08582	3.5
99.04449	0.7
105.04501	2.4
105.07021	5.8
107.08585	4.9
109.10155	2.5
110.09705	0.9
111.08071	41.3
119.08575	3.8
119.64482	0.5
121.10155	1.1
128.10670	1.0
133.10144	2.6
135.11690	3.7
145.10115	2.7
147.11726	1.0
159.11604	0.9
161.13252	3.5
166.82677	0.6
169.28404	0.7
189.16481	1.1
191.17918	0.9
201.16348	0.8
219.17383	1.4
307.41418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79470	0.5
57.03413	3.3
58.73853	0.5
61.02909	3.0
69.03421	5.7
71.04614	0.8
71.04977	18.0
73.02882	1.0
81.03406	2.4
81.07043	0.9
82.85907	0.6
85.02892	31.4
89.06013	100.0
91.03942	0.7
97.02873	6.0
99.04424	4.2
107.77869	0.7
109.02836	1.2
111.84700	0.8
117.05458	0.8
117.09048	0.9
127.03864	2.9
135.06502	21.0
145.04965	3.1
153.56882	0.6
185.78171	0.7
208.20164	0.7
272.37732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01867	0.8
55.05509	3.8
57.07046	1.5
67.05481	2.2
69.03416	9.9
69.07042	1.9
71.04971	1.7
79.05470	16.1
79.66032	0.4
81.06601	0.5
81.07042	11.5
83.04958	0.4
83.08595	0.5
83.77060	0.4
85.06550	0.4
86.21688	0.4
91.05471	8.4
92.09311	0.4
93.07023	57.8
95.04959	2.7
95.08589	2.5
97.10170	0.4
98.97542	0.4
99.08073	24.6
103.05446	0.4
105.04485	0.6
105.07008	10.2
107.08576	17.9
109.06499	2.2
109.10143	1.9
111.08076	0.3
115.07542	1.6
117.07010	0.9
119.08558	10.0
121.10119	100.0
123.08026	2.4
123.11667	0.4
125.09582	1.5
127.07533	26.1
129.07037	0.6
131.08546	0.9
133.07581	0.5
133.10118	0.9
135.11665	28.9
143.08566	0.5
145.08583	1.9
145.10106	6.2
151.11188	0.4
159.11636	1.9
161.13179	0.4
163.09769	0.6
163.11136	7.4
175.14838	0.4
177.57980	0.4
191.17937	1.7
201.16318	0.8
219.17435	4.6
256.78952	0.4
280.18521	0.4
305.37723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49018	0.5
53.03923	0.8
54.15200	0.5
55.01858	3.6
55.05500	5.4
56.96556	1.0
57.07066	1.4
59.04987	1.0
63.61029	0.5
64.80912	0.6
67.05482	3.3
69.03400	0.8
69.07056	6.2
70.59414	0.6
71.04968	2.5
71.08609	0.7
79.05051	1.1
79.05472	22.2
81.07037	26.7
83.04981	0.8
83.08590	0.9
85.06539	0.9
91.05465	13.9
93.07023	70.5
95.04965	5.0
95.08588	16.7
99.08073	81.9
103.05447	0.8
105.04494	1.4
105.07005	7.8
107.08574	39.5
109.06487	9.4
109.10169	0.8
111.08067	9.0
117.07003	1.4
119.08580	3.7
121.06486	23.2
121.10143	1.0
123.11658	1.3
127.07533	100.0
131.08554	0.8
133.10107	1.3
135.08031	31.7
135.11673	54.1
137.09587	0.8
145.08589	9.2
145.10065	1.6
151.11189	0.9
159.11607	0.6
167.01060	0.7
171.01070	0.7
219.17383	8.6
273.14548	3.1
316.94455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01866	10.4
57.03433	15.8
59.04980	1.1
61.02923	9.4
69.03066	1.6
69.03418	26.0
71.01334	7.3
73.02901	21.9
81.03396	5.9
81.07007	0.9
85.02892	100.0
87.04441	1.8
91.03916	1.6
91.05445	4.3
97.02866	25.7
98.97553	0.9
99.04433	2.3
101.02377	1.3
103.03931	1.0
105.07039	1.7
109.02871	6.9
115.03927	8.6
127.03894	16.0
133.04941	9.8
134.87260	1.0
145.04964	14.7
152.07091	1.2
163.06020	9.1
211.17119	1.0
313.19272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
58.01107	1.0
65.03946	2.3
67.05501	5.5
69.03424	1.4
69.07082	1.2
71.05004	1.1
79.05492	6.4
81.07053	9.1
83.05025	1.2
85.31026	1.0
91.04886	2.0
91.05465	59.9
93.07050	7.5
94.04176	2.2
95.04952	17.3
95.08584	2.5
103.05447	1.3
105.07040	4.9
107.04929	2.5
107.08580	2.4
109.06510	5.2
113.06017	1.4
115.05487	1.3
117.07006	1.6
119.04926	40.2
119.08577	5.0
122.03629	10.1
123.08089	1.5
128.06190	12.1
129.06995	45.2
131.04944	2.0
131.08620	2.4
133.06493	1.6
133.10069	1.8
135.08110	1.2
136.05231	9.1
137.05959	100.0
145.06425	2.9
146.07326	1.8
147.08057	1.7
149.05887	1.5
151.03925	1.7
151.07527	91.9
156.05659	2.7
157.06461	23.0
161.05975	2.8
165.07042	2.8
174.06737	18.2
174.13335	1.3
175.07509	6.9
178.07828	6.6
189.09081	55.2
192.09367	1.5
193.10175	9.5
202.07759	3.1
202.64830	1.3
203.08658	2.9
206.07283	1.7
209.05954	1.6
219.08040	1.4
220.08972	2.2
221.09590	14.6
223.07445	1.6
224.08307	1.8
249.09120	7.2
253.12187	10.6
269.08081	3.0
272.10028	1.4
281.11737	7.1
284.10434	1.4
313.14255	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	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.58208	1.2
50.76380	1.1
52.95626	1.2
53.03934	3.7
55.01869	3.6
55.05505	29.2
56.96556	3.0
57.03426	2.9
57.07066	7.3
59.04998	1.3
59.51319	1.4
67.05495	44.8
68.38676	1.3
69.03423	25.4
69.07053	31.8
71.04976	13.0
71.08615	26.2
79.05473	38.4
81.03398	18.2
81.07037	80.8
83.04985	12.5
83.08618	3.9
85.02874	3.9
85.06547	3.7
91.05463	25.8
92.69630	1.5
93.07022	47.9
94.07327	2.9
95.04952	24.6
95.08586	45.0
97.06506	13.0
97.10172	3.6
99.04444	7.6
99.08084	12.5
101.17556	1.6
103.05431	3.0
105.07009	22.2
107.08566	26.1
109.06487	14.6
109.10140	27.0
111.08092	3.8
116.98596	2.6
117.07001	6.5
119.08561	30.2
121.06493	2.0
121.10116	17.0
123.08059	3.2
123.11685	7.8
125.09657	2.9
126.06264	1.6
131.04922	9.7
131.08563	6.7
133.10112	15.5
134.99704	2.3
135.11687	8.3
137.09570	20.2
139.11212	3.9
145.10136	6.8
147.08011	2.7
147.11690	7.3
149.09676	1.8
151.11171	19.8
155.08568	1.7
159.11667	3.3
161.09595	3.7
161.13235	2.9
163.11200	3.7
179.14265	3.0
217.15889	6.0
221.15477	2.8
273.14520	2.7
277.21558	44.4
295.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94611	0.2
53.03935	2.5
55.01857	1.9
55.05491	0.3
57.03431	14.0
58.21592	0.3
59.04992	4.1
60.90675	0.2
61.02918	5.0
69.03068	0.5
69.03417	9.8
71.01340	7.1
71.04979	46.8
71.91949	0.2
72.05292	0.3
73.02904	21.7
75.04057	0.4
75.04462	7.0
75.28150	0.3
81.03395	4.8
83.04961	1.5
85.02894	23.2
87.04447	2.9
89.06014	10.6
91.03931	1.5
97.02867	7.1
99.04436	24.8
101.05998	3.7
109.02879	2.1
117.05476	100.0
127.03905	3.7
129.05464	0.4
133.04974	0.4
135.05472	0.4
135.06516	10.5
145.04933	4.4
147.06470	0.6
163.05995	1.3
163.46880	0.3
243.08658	0.4
272.06677	0.3
279.10739	1.4
314.12939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01876	1.6
55.05505	12.8
57.07076	1.1
58.06312	2.4
58.06591	67.7
59.04976	1.8
60.04523	7.9
65.64899	0.9
67.05495	8.7
69.03405	6.2
69.07055	4.8
69.85374	0.8
71.04987	7.7
79.05468	10.8
81.06597	1.6
81.07042	32.0
83.04966	72.6
83.08626	1.7
91.05461	9.9
92.63789	1.3
93.07026	33.8
95.04928	4.7
95.08584	17.5
97.06494	3.9
98.09679	2.4
99.04430	9.4
99.08065	3.6
100.07613	14.8
100.88799	1.2
105.07006	9.7
107.08564	15.4
109.06497	8.4
109.10137	19.4
111.08071	4.7
114.09154	6.3
117.06993	2.4
119.08558	28.7
121.10087	3.9
123.08042	5.3
123.11671	1.0
125.09640	3.7
131.08563	2.3
133.10106	7.3
135.11649	2.0
137.08635	1.8
137.09601	30.4
145.10172	1.8
147.11633	2.2
149.09586	16.4
151.11163	2.2
153.09062	9.0
155.10733	1.3
156.10146	1.2
157.10118	4.1
159.11688	1.5
161.09557	1.6
161.13182	1.1
171.11658	1.6
175.11133	2.1
179.10631	1.9
189.16452	1.4
199.14830	1.3
208.95639	0.9
217.15826	13.8
235.16795	9.1
255.81242	1.0
312.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.9
61.02898	0.5
69.03414	1.3
69.07053	80.5
71.04976	0.5
73.06536	62.8
81.03364	0.7
85.02891	8.1
97.02856	2.0
97.06503	28.4
99.04416	0.6
115.07546	100.0
127.03831	0.9
133.08586	10.7
145.05000	0.7
150.11238	2.2
180.08604	1.0
201.43190	0.6
285.25467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86439	0.6
53.03941	2.5
55.01855	3.7
55.05486	1.4
57.03436	8.7
61.02918	12.7
68.40359	0.6
69.03415	20.0
69.06714	0.9
69.07055	15.9
71.01295	0.6
71.04962	2.6
73.02900	5.1
73.06527	1.7
74.45439	0.6
80.58888	0.6
81.03407	9.3
81.23083	0.7
85.02891	100.0
87.04452	3.7
87.08087	9.8
91.03942	4.8
97.02870	28.4
99.04445	4.2
101.06010	4.4
105.09177	0.6
109.02857	8.2
115.07548	3.3
127.03889	17.3
133.08565	4.3
145.04942	26.1
149.03198	0.6
154.26947	0.7
163.05971	8.8
176.82875	0.8
295.13562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01856	1.6
55.05501	5.6
57.03432	6.3
57.03651	0.7
58.38706	0.6
59.04982	3.3
61.02919	13.5
61.19350	0.6
69.03416	18.1
69.07056	13.3
71.04963	3.5
73.02909	5.5
73.06532	7.5
79.76206	0.8
81.03406	8.1
83.04961	2.7
85.02893	100.0
87.04454	1.4
87.08114	5.3
91.03945	5.8
97.02872	24.1
99.04427	4.7
101.06011	14.1
109.02872	10.1
115.07552	8.8
127.03893	19.7
133.08597	7.9
145.04948	26.6
163.06004	9.7
239.27788	0.8
271.14075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17758	0.8
53.00288	1.1
53.03935	1.4
55.01859	2.4
55.05503	19.8
56.05841	1.1
57.07055	6.3
58.06310	2.6
58.06591	69.0
59.04978	1.4
59.72063	0.8
60.04514	9.6
67.05492	20.2
69.03408	6.2
69.07053	27.8
70.07384	4.5
71.04971	7.2
78.01369	1.0
79.05478	17.1
81.07037	58.0
82.07367	4.8
83.04966	58.4
83.08593	12.1
84.08950	1.2
85.06533	2.4
91.05450	15.7
93.07023	45.3
94.07349	2.2
95.04934	6.0
95.08583	39.9
96.08928	2.2
97.06517	5.6
97.10136	4.2
98.09692	2.6
99.04427	7.0
99.08064	4.6
100.07599	15.7
105.07015	11.8
107.08581	21.6
109.06492	7.6
109.10149	32.1
110.10476	1.3
111.08068	5.5
111.11698	4.5
114.09134	5.2
117.06978	4.4
119.08558	33.0
121.06438	1.4
121.10125	6.4
123.08072	2.7
123.11675	6.1
125.09611	5.3
125.13143	1.7
131.08530	1.6
133.10077	6.3
135.11650	5.7
137.09586	29.2
139.11147	1.3
142.08684	1.2
143.08546	1.3
145.10112	2.2
147.11679	2.0
149.09599	13.3
149.13239	6.1
151.11147	2.5
153.09065	9.8
155.10661	5.2
157.10158	1.7
158.78975	1.1
161.09607	1.8
163.14877	1.1
189.59982	1.1
199.11299	1.2
217.15813	9.8
235.16858	6.4
237.98041	1.2
248.86526	1.2
312.21631	100.0
313.16318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	21.5
53.13063	1.0
53.87705	0.9
55.01852	1.7
56.54821	1.3
57.03438	9.6
61.02914	13.9
69.03423	25.2
71.04613	1.7
71.04978	41.7
73.02892	6.5
79.00388	1.2
79.05479	2.8
81.03407	12.2
85.02892	100.0
86.09702	1.5
87.04454	9.5
91.03936	3.1
97.02866	34.7
97.06523	2.7
99.04424	4.9
105.05487	5.1
108.17319	1.3
109.02861	6.0
114.37283	1.4
115.03917	11.4
127.03909	17.4
133.04945	79.7
145.04932	25.5
150.07765	2.4
151.05888	1.4
163.05986	6.9
195.76007	1.3
276.76526	1.2
295.10071	2.6
312.13043	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	311.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15580	0.3
63.98531	0.4
69.07035	0.6
75.56395	0.5
81.07062	0.6
83.86861	0.4
90.19070	0.4
91.05442	0.4
93.07036	0.5
96.34483	0.5
121.10104	0.5
122.69009	0.5
123.83530	0.5
129.87091	0.5
141.05190	7.5
166.53131	0.5
241.14111	0.9
311.18228	100.0
312.18631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.00300	2.1
53.03931	2.4
55.01872	14.2
55.02103	1.8
55.05508	33.8
55.46564	1.2
56.96551	2.2
57.03428	3.7
57.07062	2.5
57.45104	1.1
58.14598	1.3
58.86804	1.2
65.03948	1.7
67.05144	1.6
67.05499	36.5
69.03410	1.9
69.07059	100.0
71.04968	7.1
79.05479	41.7
81.03398	12.4
81.07041	43.3
83.04966	30.2
83.08604	6.5
85.02900	6.1
85.06535	2.3
91.05465	27.9
92.09310	2.9
93.06426	1.9
93.07022	52.4
95.04949	51.5
95.08591	24.8
97.06516	11.8
97.10149	9.3
98.10069	1.4
99.04449	6.0
105.07012	17.6
107.04930	18.9
107.08586	28.7
109.06497	8.8
109.10143	7.1
111.04432	32.8
111.08060	2.4
117.07034	10.9
119.08576	17.6
121.06492	3.6
121.10111	14.3
123.08073	3.0
125.09631	1.7
129.06975	6.2
131.08598	13.7
133.10110	12.2
135.08022	19.4
135.11659	10.8
137.09525	1.7
139.11215	2.7
143.08582	3.5
145.10100	12.9
147.11710	2.5
149.09584	6.3
149.13223	5.6
157.10065	2.6
159.11629	7.2
161.09595	1.7
161.13248	1.8
163.11211	2.3
167.14276	2.5
171.11685	1.6
177.12746	9.6
183.11668	2.0
195.13733	3.0
201.12671	2.3
203.12726	2.1
207.13750	6.9
215.14081	1.5
223.93286	1.6
225.14758	3.0
237.14838	35.6
241.14375	1.5
242.70049	1.6
275.20013	32.1
292.35513	1.6
293.21088	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	311.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01862	0.4
57.03187	0.5
57.03431	8.1
59.04976	0.6
61.02910	3.7
67.05492	1.1
69.03076	0.6
69.03417	10.9
71.01322	1.8
71.04984	3.8
73.02896	1.8
75.04448	1.1
81.03394	1.0
85.02870	2.7
85.06061	0.6
85.06528	7.7
86.09669	0.9
91.05452	0.5
95.05024	0.5
95.08590	0.6
97.02874	0.9
99.04417	2.1
105.07065	0.5
106.06506	2.2
111.80029	0.5
113.05939	2.2
131.06009	3.5
131.07001	1.6
133.07596	33.3
159.05504	6.7
159.11642	0.7
177.06557	100.0
213.21484	0.5
230.81622	0.5
287.98126	0.8
293.11609	0.9
311.12323	78.3
319.46490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1122
Annotation	PICROTIN
Peak:m/z	Relative Intensity
53.74844	1.7
54.99252	1.8
55.01857	1.9
55.05498	4.3
56.69838	1.7
61.02908	1.8
65.03954	2.2
67.05476	9.8
67.65630	1.8
69.03418	2.6
69.07076	2.5
71.04960	2.7
71.23090	2.0
79.05482	3.9
81.07016	2.7
82.66123	1.9
85.02896	4.9
91.05454	27.4
93.07025	4.4
95.08578	16.7
96.08913	8.8
101.43848	1.9
103.05449	4.0
105.07011	52.6
107.08627	2.5
113.09653	2.9
115.05415	3.3
117.06998	22.6
119.08578	21.0
121.06489	10.2
121.10172	2.5
128.06161	15.5
129.06973	24.2
130.07803	2.3
131.04939	2.5
131.08546	52.2
133.06427	3.7
133.10092	37.6
135.08043	2.4
141.06975	4.9
142.07773	55.7
143.08522	14.9
144.09299	5.1
145.06454	10.3
145.09044	3.6
145.10063	26.5
146.07243	17.3
147.08032	21.9
147.11679	8.7
149.05968	3.4
149.09598	4.8
151.07486	3.0
154.07800	3.1
155.08496	11.2
157.10103	73.2
159.04378	3.2
159.08043	29.6
159.11644	14.4
161.05962	3.5
161.09583	100.0
162.10361	12.1
167.08577	4.1
170.07291	2.8
173.05853	3.8
173.09570	38.0
174.10378	3.5
175.11160	57.6
177.09071	26.0
183.08011	3.1
185.09567	29.2
187.07526	12.4
191.10713	4.2
201.09109	25.2
203.10675	11.6
205.05150	3.6
205.08562	44.4
215.07033	4.6
219.10135	28.7
229.08542	11.3
231.10149	12.0
247.09599	39.9
249.11189	29.5
265.10657	27.0
275.09027	32.4
293.10107	20.2
311.11093	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	310.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.37477	0.2
55.01868	0.3
55.05507	10.1
56.96559	0.6
58.06593	5.9
60.04514	15.7
67.05486	1.5
69.07050	0.5
70.06575	0.3
71.04962	2.3
72.08138	18.4
73.06536	6.9
79.05471	1.9
80.36996	0.3
81.07045	1.6
83.04971	6.9
85.02899	1.8
88.03973	0.6
91.05476	2.1
93.07033	1.8
95.04946	0.8
95.08585	0.7
96.08105	0.4
97.06502	1.4
98.06013	0.5
98.09653	0.5
100.07596	4.2
101.05997	7.5
105.07024	0.7
107.08550	0.3
113.33069	0.4
114.09143	5.3
119.08541	0.6
123.08053	1.6
124.07598	0.6
128.83147	0.3
140.44989	0.3
142.08618	100.0
145.10121	0.4
156.10204	0.5
250.11188	1.8
289.32953	0.4
310.20056	20.1
334.80380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18622	4.6
52.82937	4.4
55.01873	7.1
57.03418	20.8
60.41647	4.9
67.05501	4.8
69.03410	10.7
69.07072	7.3
73.06535	9.1
80.58298	5.7
85.02876	14.1
91.05466	9.1
95.08585	29.1
97.02866	7.5
105.07016	8.3
113.09649	63.8
118.29079	5.3
123.22040	5.2
124.07553	5.5
131.10698	10.2
137.05934	26.1
139.03896	49.5
148.70447	5.2
149.05966	7.8
173.02043	59.2
177.06630	11.1
247.17996	9.5
293.18750	10.5
311.05209	100.0
311.14618	25.8
311.18362	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	311.1123
Annotation	PICROTIN
Peak:m/z	Relative Intensity
53.03936	1.1
55.01877	2.1
55.05504	5.5
61.02917	1.3
67.05496	25.9
68.05811	5.0
69.03419	1.8
69.07049	6.7
71.04975	2.1
78.84098	1.0
79.05485	2.5
81.07042	2.7
85.02885	8.2
91.05458	18.5
93.07032	10.6
94.07342	1.6
95.04961	1.4
95.08582	100.0
96.08919	41.7
97.02862	1.6
98.22138	1.2
99.04451	2.0
103.05452	5.2
103.70914	1.1
105.07016	39.7
107.04905	1.7
107.08534	1.6
109.02865	1.6
113.09611	11.6
114.09953	2.8
115.05422	6.8
116.06241	2.5
117.06994	14.7
119.08540	14.7
121.06473	9.0
128.06215	7.3
129.06975	22.7
129.83936	1.2
130.07753	2.4
131.04935	4.4
131.08542	39.6
133.06500	2.5
133.10095	31.3
138.53281	1.1
141.06987	9.2
142.07753	40.1
142.08820	1.3
143.08525	13.4
144.05701	1.5
144.09325	5.0
145.06488	6.1
145.10081	15.9
146.07225	11.0
147.08017	11.9
147.11681	7.2
149.05991	4.6
149.09619	5.4
151.07498	2.6
155.08560	8.5
157.10101	54.6
157.11369	2.3
158.07220	1.3
158.48285	1.2
159.04388	2.7
159.08028	25.4
159.11647	10.2
161.09595	54.6
162.10365	5.7
163.03922	2.8
169.06447	2.0
171.07947	3.9
173.09576	17.4
174.10387	2.0
175.11166	31.1
177.05473	2.4
177.09084	15.2
179.07013	1.5
183.08011	4.9
185.09604	16.9
187.07521	10.0
187.11099	1.5
191.10677	2.3
198.54315	1.2
201.09138	11.7
203.10614	9.4
205.05240	3.4
205.08548	38.1
205.10286	2.0
213.09090	1.2
215.07060	5.0
219.10146	16.5
229.08569	8.3
231.10152	5.3
233.08136	1.7
233.99113	1.1
247.09590	32.1
249.11206	13.8
265.10718	22.4
275.09055	26.4
293.10010	10.4
311.11197	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	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19814	0.5
53.00304	1.1
55.05511	0.6
57.03436	3.8
57.07075	0.8
61.02919	2.4
67.05487	5.9
69.03426	5.4
69.07061	66.8
71.04983	13.2
73.02909	0.7
79.05485	1.1
81.03388	1.0
82.07340	0.5
83.04996	0.8
85.02900	16.0
85.06535	52.3
95.04954	5.7
95.08577	1.4
97.02895	3.9
97.06511	0.6
109.02879	0.7
113.05995	75.4
113.09654	1.2
127.03867	0.8
131.07027	100.0
137.79115	0.7
145.04941	0.9
161.33391	0.6
318.97635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34664	0.2
53.03947	0.4
54.81243	0.2
55.05504	3.7
57.03422	0.9
61.02907	0.9
63.03035	0.2
64.32919	0.2
65.03888	0.2
67.05489	21.6
69.03407	1.4
69.07054	4.7
71.04989	0.8
73.02876	0.4
77.53406	0.2
79.05493	0.4
79.93697	0.2
81.03400	0.8
83.08614	0.2
85.02886	7.0
85.10110	0.3
85.88882	0.2
91.05460	1.2
93.07023	5.3
95.08582	100.0
97.02864	2.0
97.10156	0.3
99.04439	0.3
105.07014	1.0
107.08583	0.3
109.02894	0.3
113.09624	14.9
119.04948	0.2
119.08601	0.3
121.06465	0.2
127.03880	1.3
131.07010	0.3
131.08549	0.9
133.10094	0.3
141.07033	0.2
142.07751	0.8
145.04982	1.1
145.10106	0.3
157.10114	0.9
159.08046	0.4
160.99461	0.2
161.08382	0.2
161.09596	1.5
173.09567	0.2
175.11212	0.4
177.09145	0.3
185.09613	0.4
198.16772	0.2
205.08542	0.5
219.10120	0.2
247.09639	0.9
265.10785	0.5
275.09021	0.5
320.16995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
54.81366	0.2
55.01863	0.4
55.05497	1.2
57.03422	1.4
59.04983	0.2
61.02914	2.1
64.33104	0.3
67.05141	0.4
67.05489	7.7
69.03416	2.8
69.35603	0.2
71.04958	0.6
73.02898	0.6
81.03401	0.6
81.07029	0.4
85.02890	18.5
85.06529	3.1
87.04424	0.4
91.03960	0.4
91.05468	0.4
91.80907	0.2
93.07018	1.7
95.04944	0.5
95.08586	100.0
97.02863	3.8
98.97579	0.3
99.04461	1.0
109.02870	1.8
110.78335	0.3
113.05983	1.8
113.09624	15.6
116.98500	0.2
117.09123	0.5
126.09795	0.3
127.03874	3.2
131.06976	1.7
131.64417	0.2
134.99683	0.3
136.42015	0.2
140.13490	0.2
145.04913	3.2
161.09746	0.3
163.06032	1.4
178.79897	0.3
182.19269	0.3
229.33792	0.3
257.13879	0.5
275.14856	1.3
310.17001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81911	3.9
55.05499	12.6
56.96558	3.5
60.04500	7.4
68.68926	2.8
71.04983	5.8
73.06577	3.7
78.80901	2.7
79.05466	13.0
81.07040	15.2
83.04953	5.6
91.05458	5.2
92.09261	4.9
93.07011	12.7
95.08581	5.1
98.97559	44.2
101.05990	4.6
105.07021	13.9
107.08595	3.3
107.61880	2.6
109.10132	3.1
112.14079	2.7
116.98598	27.2
119.08539	2.9
123.08006	4.8
133.10202	2.9
134.99631	14.6
142.08629	82.1
177.08842	100.0
217.91206	3.1
219.09926	19.8
235.12880	4.7
267.08963	15.1
270.60022	3.5
285.10104	4.9
309.16998	36.0
310.19824	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01847	0.4
55.05501	9.0
57.03417	0.9
57.07067	0.6
59.05019	0.4
61.02911	2.2
64.34283	0.4
64.40093	0.3
67.05479	0.8
69.03429	2.9
69.07055	100.0
71.04992	0.5
73.02892	0.4
79.05491	0.4
81.03369	0.6
82.14536	0.3
83.08607	2.6
83.30274	0.3
84.17193	0.3
85.02891	15.2
95.04906	0.3
97.02892	2.2
109.02862	1.6
111.11702	25.5
116.63467	0.4
121.07445	0.4
127.03918	2.3
129.12733	13.3
129.13631	0.5
133.83990	0.4
145.04935	0.7
147.13756	3.6
185.08499	0.4
309.13361	1.9
309.16629	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	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03943	1.6
55.05259	2.1
55.05507	30.9
57.03427	2.1
57.07069	18.1
59.03852	1.1
62.50787	1.3
67.05495	42.7
69.07052	44.1
71.04974	2.9
71.08619	8.4
79.05473	31.2
81.07040	100.0
83.04958	2.9
83.08605	22.7
85.10197	1.8
85.11693	1.3
91.05458	15.8
93.06418	1.8
93.07020	55.8
95.04948	5.5
95.08586	93.8
97.06526	5.2
97.10144	9.9
105.07023	29.6
107.08579	37.4
109.06461	4.7
109.10143	46.6
109.10854	2.1
111.08143	2.2
111.11720	6.6
117.07022	1.6
119.08571	20.6
121.10120	26.2
123.08068	3.0
123.11676	16.5
133.10094	19.4
135.11678	17.7
137.09639	7.5
137.13249	7.2
145.10109	1.3
147.11697	15.2
149.13235	18.9
161.13248	8.0
163.07280	5.6
163.14784	6.2
165.12785	1.5
175.14806	6.2
179.17766	1.7
189.16379	3.0
191.18011	1.9
193.08229	2.3
203.17989	2.9
217.19440	2.8
233.11446	1.6
249.85265	1.5
273.25684	18.7
291.26733	13.2
309.16650	5.8
309.27890	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	310.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24447	0.4
54.82011	0.4
55.05496	0.7
56.96556	9.3
57.07048	0.7
65.38503	0.4
67.05486	1.1
69.07049	3.6
71.04972	1.7
71.95257	0.6
79.05466	7.7
81.07030	2.5
83.08617	0.8
83.43603	0.4
84.81686	0.4
85.06554	0.5
91.05460	2.7
93.07019	12.4
95.04944	0.7
95.08582	1.7
97.01674	0.5
97.06526	0.5
98.97561	100.0
104.85461	0.4
105.06999	1.9
107.08567	10.8
109.10155	1.0
116.98597	79.4
119.08579	0.6
133.10149	0.8
134.99632	41.2
135.11665	8.0
140.00151	0.8
150.30627	0.5
153.00688	4.8
227.09352	0.6
251.09464	9.0
269.08234	0.5
269.10532	24.9
287.11600	25.4
287.39719	0.4
305.12711	2.6
309.16693	0.5
310.13470	0.5
310.17062	1.7
310.23743	0.6
323.50861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1469
Annotation	SB 218655
Peak:m/z	Relative Intensity
52.78234	0.3
55.05496	0.4
57.03421	2.9
58.99574	12.1
61.02901	0.4
74.84791	0.4
76.02227	0.4
79.05470	0.6
80.94760	0.4
81.07053	0.7
83.05012	0.4
85.02906	2.2
86.03812	0.4
86.99044	13.2
90.29180	0.4
91.05473	0.7
93.07032	0.6
95.08604	0.9
97.02921	0.5
100.02187	83.2
105.00079	26.0
105.06150	0.5
105.06997	1.8
109.06441	0.5
113.09641	13.4
119.08562	2.2
121.10184	0.5
123.01036	0.5
131.10667	2.8
133.10139	0.5
144.01178	0.8
145.10170	0.7
146.02695	100.0
147.11646	0.8
166.64333	0.4
204.17296	0.5
223.11153	0.6
250.18034	2.2
264.14166	1.0
264.19495	0.7
288.81967	0.5
292.13623	0.5
310.14655	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	309.1459
Annotation	PP242
Peak:m/z	Relative Intensity
51.69872	5.8
55.05501	5.3
56.96552	13.6
61.86178	5.0
69.40371	5.0
73.52862	4.8
77.77014	5.8
81.07059	6.0
93.07031	11.5
128.21799	5.7
177.08733	7.1
245.84729	6.3
259.08841	5.2
269.64038	6.6
291.64075	6.0
302.21765	6.2
309.14526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.146
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36234	21.8
77.28743	20.0
81.07053	38.3
84.16768	25.4
88.20728	26.5
88.34908	22.6
89.35887	20.3
89.90394	23.0
91.05439	22.0
93.53204	27.7
95.08595	24.5
103.89486	27.9
105.07043	38.5
107.99548	21.6
119.08488	24.6
137.50417	30.7
198.73917	29.9
221.75966	24.4
309.14432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28560	2.3
55.05503	3.6
57.54637	2.7
62.62641	2.4
66.63979	2.3
67.05492	7.0
69.07061	6.6
72.49985	2.8
79.05475	7.0
81.07052	21.7
92.08750	3.5
93.07019	12.2
95.08598	16.0
104.23215	2.7
105.07026	3.9
107.08568	5.7
109.10162	6.1
121.10166	3.8
131.08498	3.3
151.07298	7.1
161.05722	100.0
168.01460	3.0
172.37900	2.8
176.08167	3.6
193.08359	51.7
241.12090	3.3
259.13043	20.2
259.16684	3.0
265.68091	3.6
273.25510	3.9
275.16119	50.5
277.14124	49.8
291.26605	3.3
309.16751	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	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	2.5
79.44789	2.1
81.03183	3.2
81.07062	3.0
95.04942	2.4
95.08596	4.0
123.04114	3.2
164.11591	2.5
172.89746	2.3
177.08835	100.0
177.10345	3.9
191.10396	3.6
219.09889	15.1
235.13058	2.5
309.16794	42.8
309.67447	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55775	4.7
52.26463	4.9
53.03940	5.1
55.01847	6.3
55.05520	47.0
56.96556	14.0
61.49929	5.0
64.33331	5.3
67.05471	11.2
69.07063	10.7
71.04952	6.4
79.05474	34.4
81.07038	43.4
83.04964	34.5
91.05458	23.9
93.03131	10.3
93.07022	37.3
94.03922	12.3
95.04952	9.2
95.08592	14.4
97.51167	6.0
105.07038	34.8
107.08575	12.7
107.67481	5.6
109.10119	6.6
111.08094	6.4
119.08569	27.3
121.10101	7.2
123.04185	9.8
123.08018	7.2
129.68164	5.9
131.08554	6.8
133.10095	11.5
142.07715	7.5
145.10120	12.7
151.07297	100.0
211.09312	10.3
249.14621	10.5
309.17120	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81961	1.5
55.01857	1.4
55.05491	2.0
57.49248	1.5
59.75502	1.7
66.56829	1.6
71.09210	1.6
79.05480	2.6
81.07047	3.5
82.43731	1.6
83.92126	1.6
85.02890	3.0
91.05460	2.1
93.07014	2.1
105.06996	2.7
107.08594	1.6
119.49072	1.6
147.04419	2.8
162.94141	1.8
168.51331	1.7
177.08846	9.6
193.08342	31.8
219.78790	1.6
233.11443	2.8
240.81473	1.8
248.95786	1.8
275.16254	2.3
277.14035	59.9
291.15744	3.7
309.16693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08261	10.9
54.81397	11.2
56.74029	11.4
56.96309	12.4
56.96548	100.0
74.10727	11.7
85.44341	13.3
89.90305	15.6
91.05466	14.4
98.97534	21.7
99.19351	15.3
116.98612	21.5
119.08536	20.1
277.14224	57.3
308.28165	17.3
309.14099	28.8
309.17068	30.4
323.49976	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	309.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81372	9.2
55.01876	9.7
55.05510	39.5
56.96553	20.2
57.07056	11.4
58.85362	8.4
62.54422	7.7
67.05495	45.3
69.07055	41.4
71.04976	20.2
75.50041	10.8
79.05484	62.9
81.07037	84.9
83.04973	13.1
89.82516	8.4
91.05467	48.5
91.70898	9.5
93.07028	100.0
94.33608	9.0
95.04973	20.5
95.08585	52.8
99.04420	15.0
105.07024	75.4
107.08601	42.1
109.06548	35.1
109.10158	43.3
119.08581	41.1
121.06477	10.1
121.10150	17.7
126.12899	10.2
131.08554	21.7
133.10124	17.2
135.11693	10.4
137.09636	13.8
143.08687	12.7
145.10095	11.8
147.11652	14.9
155.55702	9.2
176.15303	9.8
220.57188	8.7
235.48877	11.2
275.06537	10.1
291.19461	15.8
309.14526	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	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21022	0.7
53.03933	4.0
54.81811	1.0
55.01868	2.1
55.05507	14.7
57.03175	1.7
57.03431	28.6
59.05000	1.7
59.44623	1.0
61.02921	16.2
67.05486	5.5
69.03416	71.7
71.01326	1.5
71.04604	1.5
71.04980	31.0
73.02909	11.2
75.04458	5.6
76.56008	0.9
81.03406	19.8
83.04467	1.3
83.04964	44.2
85.02891	100.0
85.06517	1.6
87.04443	8.4
88.07593	1.2
91.03936	6.5
92.08789	1.1
97.02872	6.5
98.97572	1.8
99.04434	28.9
101.05997	10.8
103.03922	25.9
109.02857	6.3
111.04442	18.2
113.05969	1.6
115.03886	1.5
116.30786	1.1
127.03899	22.0
129.05447	31.1
130.08614	1.8
131.06992	1.5
132.95714	1.5
145.04942	1.9
147.06500	19.6
165.07561	6.5
185.42319	1.0
189.07555	7.8
192.24487	1.0
202.08542	1.1
273.09470	1.4
307.20532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	34.9
65.66425	4.0
67.05480	9.9
69.03422	5.0
69.07056	19.3
74.84161	4.3
79.05470	22.8
81.07037	48.8
91.05455	25.8
93.07018	37.3
95.04896	5.5
95.08586	22.4
97.06499	7.5
98.97568	5.6
105.07007	25.3
107.08582	7.5
109.06461	6.2
109.10135	5.4
116.98581	5.6
117.07017	7.4
119.04884	7.1
119.08575	18.9
121.10146	6.6
129.06950	6.5
131.08522	6.3
133.10132	10.9
145.10167	7.3
147.04413	11.0
157.10025	7.5
161.09766	5.5
177.08862	22.0
191.10378	6.7
193.06227	20.6
200.11185	6.2
221.54361	5.3
277.14081	91.9
291.15472	5.5
309.17108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01861	1.0
55.05507	6.1
57.03431	16.8
59.04979	1.5
61.02906	3.2
67.05480	0.9
67.09508	0.7
69.03408	4.9
69.07066	0.8
71.01352	1.1
71.04978	30.6
73.02909	5.7
75.04459	13.7
79.05481	1.1
81.03397	2.9
81.07032	1.7
81.30742	0.7
83.04958	10.1
85.02889	100.0
86.09798	0.7
87.04439	3.7
91.05461	1.7
93.07014	9.2
94.07348	3.4
95.04953	1.7
97.02860	6.8
99.04425	2.9
101.05961	1.5
103.03871	0.8
105.07092	0.8
109.02845	1.5
111.04410	3.2
111.08041	3.5
123.04435	0.7
127.03898	3.4
127.97965	0.7
129.05473	13.9
131.08527	1.0
136.32243	0.7
138.09084	1.2
145.05020	0.9
145.06445	0.6
147.04385	1.0
147.06491	8.1
173.09546	1.4
187.29677	0.7
189.77525	0.7
198.10081	0.8
255.08450	0.9
287.42145	0.7
292.17712	0.7
309.13037	3.3
309.16531	17.1
311.02942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01865	0.8
55.05500	4.4
57.03427	16.9
59.04989	5.3
59.51603	0.5
61.02908	3.3
67.05453	0.7
69.03409	4.5
71.01334	3.1
71.04976	34.5
73.02895	6.1
74.57162	0.4
75.04462	12.3
79.05513	0.5
81.03397	1.1
81.07043	0.6
83.04969	9.3
83.08595	0.5
85.02889	100.0
85.06532	3.2
87.04446	2.5
91.05470	2.1
93.07044	5.5
94.07339	1.7
95.04937	2.3
95.08595	0.8
97.02869	5.8
98.37790	0.5
99.04445	1.3
101.05999	2.8
103.03948	1.1
109.02863	1.2
109.06499	0.8
111.04418	3.7
111.08070	0.7
127.03908	2.2
127.07529	1.2
129.05464	14.5
129.80495	0.6
135.04385	0.6
145.04996	0.8
145.08563	0.8
147.06491	8.2
173.06076	0.6
183.72780	0.5
249.11717	0.5
267.25879	0.6
309.05411	0.6
309.08929	0.6
309.16629	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01844	0.7
55.05504	5.2
57.03173	0.8
57.03428	13.9
58.25484	0.5
59.04982	2.3
61.02899	3.1
69.03410	2.6
69.07049	3.2
71.01324	2.5
71.04977	33.7
73.02512	0.6
73.02905	7.3
75.04463	14.9
83.04964	7.3
84.54891	0.6
85.02891	100.0
87.04461	1.9
97.02872	3.9
99.04432	2.1
101.05997	1.1
109.02890	0.6
111.04417	2.4
127.03857	1.1
129.05455	15.6
129.12724	0.8
134.17407	0.5
145.04971	0.5
147.06482	9.3
156.37357	0.5
196.76065	0.6
309.16684	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39903	0.2
53.03949	0.3
54.81931	0.2
55.05502	0.3
57.02190	0.2
57.03438	0.3
58.49027	0.2
59.04955	0.2
61.02903	0.5
65.03926	1.0
69.03424	3.2
71.04974	0.3
73.95963	0.2
81.03406	2.9
85.02884	4.5
91.05463	13.7
93.07025	0.3
94.14488	0.3
95.04906	0.2
97.02848	1.1
109.02858	0.4
111.72063	0.2
119.04922	39.3
123.04235	0.3
127.03856	0.3
135.34601	0.3
141.05251	0.3
147.04393	100.0
148.04779	0.3
151.07234	0.5
165.05432	1.7
177.08826	2.5
193.08273	1.1
291.08554	1.1
309.09628	1.6
309.13501	0.3
309.16776	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	309.0967
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
50.28282	0.6
55.05494	2.4
57.03387	0.6
61.18948	0.5
62.04671	0.5
66.44802	0.6
68.99759	0.9
69.07054	8.3
71.07899	0.5
79.05480	0.9
81.03407	0.6
83.04948	4.5
85.02888	3.8
95.04976	0.7
111.11682	2.7
125.07102	0.6
129.12738	1.3
152.01010	0.7
153.01801	3.0
161.05850	0.6
163.03860	1.3
167.03358	58.0
170.02051	1.4
175.07449	0.9
177.05345	1.1
192.04155	10.6
203.06995	4.4
205.04970	7.1
206.05705	23.4
207.06473	2.7
213.05396	1.4
215.06966	1.4
216.04167	3.4
217.04967	3.2
217.08623	0.8
219.06436	1.1
229.04890	1.1
231.04724	0.6
231.06471	25.5
232.07262	9.6
234.05154	11.1
245.08012	3.4
247.09650	3.4
249.07520	90.8
273.07581	1.1
276.06085	2.4
291.08557	13.2
309.09616	100.0
309.16650	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	307.2628
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03930	2.0
53.17762	1.3
53.30043	1.2
54.38997	1.3
54.81233	1.5
54.87517	1.3
55.01864	1.8
55.05503	21.9
56.84684	1.4
56.96543	6.8
57.03445	1.5
57.07061	9.5
60.72399	1.4
67.05500	33.9
67.73827	1.6
69.03439	1.8
69.06712	2.4
69.07053	40.8
70.02931	2.8
70.06564	10.0
71.04977	7.5
74.81533	1.4
79.05470	20.0
81.07040	74.0
83.08610	16.3
85.06524	6.8
88.07616	3.9
91.05455	17.2
93.06480	3.1
93.07021	49.1
94.07344	2.7
95.04955	10.0
95.08584	72.8
97.06501	2.1
97.10157	3.6
98.97571	10.4
99.08082	2.0
101.22728	1.6
105.07005	34.6
107.08584	32.5
108.08833	5.1
109.06496	7.2
109.10148	32.4
111.08088	2.0
116.98590	3.0
117.07008	3.0
119.08533	19.9
119.09137	1.4
121.10110	31.8
123.08047	3.0
123.11671	7.0
131.08528	6.8
133.10086	16.3
134.99652	2.6
135.11697	9.5
136.11977	2.0
137.09642	2.2
137.13261	6.4
145.10104	8.7
146.11707	2.1
147.11650	12.5
149.13271	8.0
150.13637	1.7
151.11186	3.5
155.93813	1.6
159.11679	8.7
161.13269	3.2
163.14789	3.3
165.16443	2.1
187.14865	2.2
201.20444	3.7
219.15721	3.2
222.11278	6.9
223.11578	10.5
245.22911	17.1
249.13028	2.2
264.15604	1.8
265.16275	3.8
271.24130	4.0
275.12552	7.8
289.25177	14.1
307.15497	29.0
307.20941	100.0
307.26392	49.3
312.98840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76269	0.3
53.00297	0.4
53.03938	2.0
56.96555	0.5
58.91751	0.3
63.82824	0.3
67.05495	1.4
69.07059	0.6
70.06565	0.4
71.04974	9.0
77.84043	0.4
79.05473	1.9
79.92152	0.3
81.07034	4.5
89.94917	0.3
91.05463	1.7
93.07019	2.2
95.04954	6.9
95.08591	0.7
98.06032	0.5
105.03374	100.0
105.07011	2.3
107.08567	4.1
109.06505	3.2
109.10130	0.8
114.09129	0.8
116.83794	0.4
117.07018	0.4
119.08640	0.4
121.10086	0.4
133.10098	1.4
149.13297	0.6
151.11159	13.4
157.10098	0.5
177.94363	0.4
228.35193	0.4
241.03775	0.4
243.39349	0.3
262.21573	0.4
273.14819	6.1
290.21179	0.5
308.23761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
55.14658	0.3
56.05024	2.7
56.28905	0.3
57.55231	0.4
58.06590	5.1
67.05472	0.4
67.12920	0.4
69.03409	0.4
69.07048	0.5
70.06577	0.6
71.04967	0.7
79.05466	0.7
81.03394	0.4
81.07027	2.0
83.04954	0.7
84.03966	0.5
84.04488	27.3
84.08126	100.0
85.02873	0.7
85.06513	0.5
86.06054	7.2
86.09697	7.3
86.58201	0.3
86.61234	0.4
88.03956	0.7
92.09303	0.6
93.07018	1.8
95.04942	0.5
96.04467	0.6
97.02882	0.3
98.97534	0.4
105.07019	0.6
111.96334	0.4
114.12809	0.5
119.08527	0.6
127.07520	1.5
129.05446	0.4
130.08611	0.6
139.03880	0.7
141.13852	9.4
145.08638	0.7
169.13326	10.0
173.37274	0.4
198.11302	1.6
215.11780	0.9
215.13863	28.4
222.07028	0.4
243.16982	25.1
243.19458	0.9
262.10977	0.9
307.16815	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	307.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32633	0.9
55.05500	2.1
56.96557	1.2
67.05489	1.9
67.35616	1.1
68.84541	1.0
69.07051	1.3
72.47928	1.1
79.05472	5.2
81.07034	8.7
91.05463	2.2
92.08722	2.2
93.07030	9.4
95.08572	5.2
105.07018	7.1
107.08601	2.4
109.06506	1.5
109.10179	1.3
119.08564	1.7
121.06412	1.2
121.10126	1.7
131.23251	1.1
135.08067	1.7
135.11633	2.2
143.08504	1.1
149.09703	1.1
170.61313	1.1
275.16116	100.0
295.58524	1.2
307.18872	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	307.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72456	0.7
53.03938	6.2
55.01862	4.9
55.05499	13.1
56.05035	9.0
57.03429	6.8
57.07056	1.3
58.99557	0.9
59.04996	6.9
61.02921	6.9
61.03183	0.8
65.03936	1.5
67.05495	7.0
68.05019	1.8
69.03409	13.1
71.04987	6.0
73.02908	1.9
77.87114	0.8
79.05469	2.0
81.03408	13.0
81.07041	12.6
83.04972	3.4
83.08605	10.2
84.04487	11.5
85.02891	52.5
85.06530	73.4
86.00643	1.1
86.42477	0.9
93.07005	1.0
94.06548	3.6
95.04942	1.4
97.02870	23.8
99.04435	13.2
103.03922	100.0
107.04948	1.2
109.02856	19.2
109.06493	8.4
111.04435	3.3
113.00005	13.1
114.03754	6.4
114.05534	8.1
115.03914	1.0
119.01879	1.4
121.02851	2.2
123.04317	1.3
127.03902	40.9
127.07518	30.0
130.04932	1.0
133.02852	1.2
135.04390	4.2
138.41235	0.8
139.03886	76.5
140.07072	3.7
142.04984	7.3
145.04924	5.3
145.08583	54.3
145.09731	1.8
147.04349	1.3
150.80028	0.9
151.03976	1.5
159.04355	1.9
160.04233	7.6
163.03893	6.1
168.06561	6.1
169.04909	1.2
170.08099	5.9
177.05432	4.0
181.04944	1.8
186.07597	17.2
195.06461	1.8
197.02956	1.4
218.04803	7.3
243.07935	6.2
289.08408	3.6
305.25870	0.9
307.09900	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	307.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75600	0.8
55.05509	12.2
57.03437	1.5
57.07067	1.5
59.04994	8.4
67.05499	4.4
69.03410	2.9
79.05486	1.8
81.07041	13.7
83.08591	12.3
85.02898	38.5
85.06533	74.6
92.93211	0.7
97.02863	1.3
101.06026	1.8
103.03933	100.0
109.02835	1.1
109.06520	10.7
111.04434	1.4
123.04412	0.7
127.03926	1.4
127.07540	34.7
135.04507	1.1
139.03894	56.9
140.00305	0.8
141.28868	0.8
145.08588	62.2
151.03946	1.1
163.03891	7.8
166.17064	0.7
177.05458	1.0
179.29912	0.7
182.40324	0.7
195.06540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1303
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
56.84584	5.7
56.96544	6.5
63.73644	5.8
67.05492	11.8
79.05473	7.9
81.07054	12.6
81.67198	6.0
93.07016	8.6
105.07018	26.3
107.08601	6.8
145.10101	6.3
166.80635	6.3
193.65469	6.3
271.78146	8.0
307.12781	100.0
307.18472	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	307.1303
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
52.66967	10.5
52.77631	11.5
55.05486	17.0
56.96561	14.3
81.07088	15.3
85.85006	12.6
88.07610	45.2
92.08614	22.0
93.06998	18.3
95.08591	14.9
103.05463	26.6
105.03279	12.0
105.07065	17.2
131.04881	83.4
162.70752	12.9
215.37645	11.8
307.12775	100.0
307.26636	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	307.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14356	1.9
55.01859	3.1
55.05499	4.0
56.96554	27.8
57.07045	2.7
59.05004	2.5
61.43478	2.3
63.40977	2.2
67.05495	4.2
69.07034	5.0
71.04960	3.9
79.05466	15.6
81.07042	30.1
83.04959	3.4
91.05466	10.0
93.07009	15.3
95.08601	5.6
98.97559	100.0
105.07023	19.2
107.08598	14.6
109.06448	2.6
111.35422	2.3
116.98601	88.3
117.07005	4.4
117.07980	2.4
119.08555	5.9
129.06937	3.5
131.08585	4.4
133.10083	4.3
134.99657	38.9
143.08553	4.8
145.10107	4.3
147.11714	3.3
153.00658	4.7
159.11627	5.2
185.54086	2.9
193.08466	3.2
193.10210	3.2
223.02853	3.0
247.07266	5.2
275.10370	14.4
277.03714	4.2
279.09888	15.3
292.06238	3.7
295.04843	31.0
307.13083	19.6
307.18634	4.8
310.07269	28.5
313.05826	4.9
325.09552	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	307.1284
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01852	3.6
55.05486	0.8
61.73513	0.7
65.38493	0.7
71.04984	1.1
73.57960	0.8
73.88037	0.9
79.05457	0.7
81.07025	1.0
85.32355	0.8
91.05426	0.8
92.09332	1.6
93.06994	1.4
94.21101	1.0
95.04947	0.9
95.08552	1.0
98.05998	1.1
107.08554	1.3
108.04468	1.4
119.08532	1.0
120.04475	1.0
122.05999	4.3
123.04391	1.1
124.07542	1.4
125.05801	0.7
135.08032	3.4
136.07533	1.2
139.03867	1.0
140.07001	3.0
150.08965	0.9
160.07492	3.7
162.09108	1.0
163.08620	1.3
168.06499	4.0
174.09134	4.3
176.07135	1.3
177.10088	1.7
178.08589	27.7
182.08081	1.3
184.06102	1.0
184.07561	3.0
187.08643	1.7
188.07036	6.3
191.08104	1.2
198.09091	3.1
199.10699	0.7
200.10454	0.8
201.10234	6.4
202.08569	8.5
205.09724	4.8
206.08090	1.8
211.64438	0.9
212.06956	1.5
216.10231	6.4
219.11214	12.2
220.09637	4.4
226.08592	5.9
229.09657	10.3
230.08078	5.7
243.11203	1.9
244.09564	6.5
247.10696	18.3
253.09753	1.2
254.08099	1.2
261.12256	1.4
262.10703	1.7
265.07260	1.1
265.11758	19.1
271.10703	3.7
272.09113	3.6
289.08801	1.3
289.11771	26.0
307.12778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69987	0.2
51.83740	0.2
53.00293	0.3
53.03942	0.2
55.01859	1.1
55.05507	0.2
65.03920	1.4
67.05484	1.5
68.99781	1.6
69.03397	0.3
71.04975	0.3
73.81756	0.2
79.05470	0.9
80.81848	0.2
81.03380	0.2
81.07038	1.0
83.04953	1.0
85.02896	1.1
85.06525	4.5
89.03871	0.3
93.03373	1.4
95.04950	1.9
97.02896	0.2
103.03935	1.0
103.05453	0.3
105.03379	0.2
105.06953	0.2
107.04927	2.4
109.02951	0.2
109.06483	1.2
111.04428	2.3
121.02853	1.5
121.06461	0.2
123.04396	2.0
124.21777	0.2
125.06041	0.2
125.43023	0.2
127.03886	1.2
127.07526	3.0
130.64571	0.2
131.04852	2.0
133.02812	2.1
135.04399	4.5
139.03883	100.0
140.04196	0.2
143.26971	0.2
145.02838	0.5
145.06491	0.2
145.08601	2.2
147.04391	0.3
148.29520	0.2
149.05945	1.7
151.03893	3.0
153.01840	0.5
153.05447	1.2
159.04376	4.0
163.03864	10.1
167.07065	0.4
169.04935	1.7
177.05411	4.2
181.04912	4.0
195.06487	3.7
195.35762	0.2
205.04904	1.2
223.05840	0.9
234.99677	0.2
247.06009	0.3
289.07077	0.3
307.08063	0.4
328.34048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00284	0.6
53.03927	0.3
55.01857	1.9
55.05494	1.8
57.00430	0.2
57.03423	0.4
58.05674	0.3
59.86748	0.2
61.99170	0.3
65.03918	1.6
67.01865	0.3
67.05486	4.6
68.99770	1.9
69.03408	1.8
69.07050	2.2
71.04977	4.7
79.05473	5.9
80.04981	0.3
80.55604	0.2
81.03397	0.7
81.07035	6.3
83.04958	2.4
83.08585	0.3
85.02864	1.3
85.06527	1.6
87.00793	0.6
87.04454	0.6
91.05478	2.4
93.03374	1.2
93.07026	7.7
93.07583	0.6
94.06525	0.4
95.04945	5.1
95.08572	3.4
97.02852	0.4
97.06514	2.2
98.06004	0.7
99.08058	1.5
103.05427	0.3
105.07014	1.6
107.04940	2.8
107.08590	1.4
108.04476	7.7
108.05197	0.9
109.06490	1.9
109.10125	1.8
111.04420	2.5
115.03905	0.6
117.03335	0.4
117.06986	0.3
119.08556	1.0
120.04459	0.5
121.02837	1.4
121.06521	0.7
121.10123	7.6
122.06004	4.4
123.04408	1.7
123.08025	0.3
125.05998	0.3
127.03909	1.5
127.07548	1.0
129.05455	0.3
131.04895	2.0
131.08553	1.4
133.02826	2.2
135.04413	4.4
137.06015	0.4
138.05458	0.6
139.03880	100.0
139.11168	3.1
140.07025	4.5
145.02866	0.7
146.05984	0.4
147.04428	0.3
147.08054	0.3
149.05974	1.2
149.09633	2.1
150.05502	0.6
151.03889	2.7
153.01778	0.5
153.05486	1.1
157.12225	3.1
159.04382	5.0
163.03857	11.0
167.06973	0.7
167.10658	2.1
168.06519	4.3
169.04927	1.7
177.05429	5.2
181.04938	3.6
184.56444	0.3
185.11668	0.3
195.06467	3.1
199.16737	0.3
205.05042	0.3
223.05991	1.5
247.05829	0.4
289.07086	0.4
307.07877	0.4
307.12900	1.5
307.15829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.9
56.05014	24.6
58.14999	5.3
59.90670	5.0
61.02911	10.8
67.05482	5.4
69.03407	26.1
72.05211	5.1
81.03415	24.9
84.04484	32.2
85.02882	47.7
85.06488	7.0
87.77780	5.2
97.02848	39.9
99.04440	35.3
103.03900	25.1
107.72234	5.6
109.02821	12.5
112.99985	23.4
114.03762	9.5
121.59284	6.2
122.07114	6.5
127.03920	52.6
127.04773	7.8
129.04379	6.6
129.91870	6.5
139.03894	100.0
142.05029	7.9
145.04898	11.8
145.08595	9.0
160.04202	9.2
163.03922	8.5
164.08269	7.1
168.06586	6.3
183.96767	5.9
186.07549	29.7
218.04718	10.6
243.07875	13.2
257.45099	6.7
258.29456	5.9
277.10181	5.8
307.07529	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00288	0.3
53.03933	0.3
54.82237	0.2
55.01858	1.0
55.05496	0.3
57.07058	0.3
65.03927	1.5
67.05480	1.8
68.99776	1.8
69.03406	0.4
71.05003	0.2
77.56848	0.2
79.05475	0.5
81.03387	0.2
81.07021	2.1
83.04972	0.9
85.02876	1.6
85.06525	8.2
92.09220	0.4
93.03378	1.4
95.04955	2.5
97.02853	0.4
99.08070	0.4
102.87211	0.3
103.03926	1.6
103.05413	0.3
107.04945	2.4
109.06473	0.4
111.00712	0.3
111.04436	2.1
119.39207	0.2
121.02828	1.2
123.04377	1.8
127.03918	1.0
127.07539	4.4
131.04916	2.0
133.02829	2.2
135.04382	4.5
139.03880	100.0
140.04182	0.3
145.02829	0.9
145.08588	3.7
149.05951	1.4
151.03879	3.2
153.01788	1.1
153.05440	1.3
155.03461	0.3
159.04364	4.0
163.03868	9.7
163.05186	0.5
169.04936	1.5
177.05449	4.2
181.04919	3.1
195.06488	3.7
205.04869	1.0
220.12851	0.3
222.66498	0.3
223.05988	1.4
247.06050	0.3
255.27841	0.2
289.07028	0.3
307.07904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01862	4.2
55.05494	16.0
57.03417	2.3
57.07058	4.6
59.04978	12.8
67.05487	41.5
68.99783	2.5
69.03401	13.3
69.07051	45.9
71.04970	23.5
73.06541	4.4
79.05464	26.3
81.03405	2.8
81.07031	69.8
83.04964	33.0
83.08575	4.5
85.06501	16.8
91.05448	24.9
92.05814	2.5
93.07019	76.9
94.07352	5.6
95.04944	100.0
95.08586	41.2
97.06510	51.5
98.97585	2.4
99.04425	13.6
105.07011	41.4
106.07328	3.9
107.04927	2.8
107.08563	62.8
109.06496	30.1
109.10135	61.0
110.10471	2.8
111.04432	5.1
111.08058	44.3
113.06000	5.0
116.98569	2.8
117.07000	5.2
119.08559	33.2
120.08900	2.9
121.06477	25.2
121.10105	21.8
123.04399	34.9
123.08044	22.9
123.11620	3.4
124.04710	18.8
125.05963	14.7
125.09563	16.7
127.03993	2.2
127.07527	29.6
129.06926	2.6
131.08516	12.8
133.10085	22.3
135.08005	15.0
135.11685	5.6
137.05962	9.6
137.09576	9.2
139.03935	3.3
139.07535	2.8
139.11111	4.3
141.09061	10.6
143.06999	5.3
143.08492	3.6
143.10683	5.4
145.10083	13.8
147.11676	30.6
149.02292	20.3
149.09573	9.2
149.13239	4.0
150.02664	28.8
151.07423	2.9
151.11134	5.5
153.01799	42.7
153.09091	58.3
154.02141	49.1
157.08781	2.2
157.10077	11.3
158.06714	4.3
159.06531	3.0
159.11612	10.9
161.09599	10.4
161.13219	3.9
163.07440	4.1
163.11171	9.1
165.12708	11.9
167.03378	4.6
167.10635	36.8
169.12190	8.9
171.10126	60.4
171.11539	5.5
175.11194	16.0
175.14900	2.4
177.12708	2.9
179.10555	9.6
180.11067	3.3
185.11642	5.2
186.06262	4.9
187.14679	3.1
189.11238	3.4
189.12740	5.4
189.16452	2.5
193.12280	4.4
195.02866	5.5
196.03221	3.9
199.11130	3.6
205.15807	4.0
211.13277	5.2
213.05469	2.9
214.05731	9.9
217.12265	18.5
219.17409	4.7
220.13234	4.5
231.06473	4.4
232.06842	33.9
235.13315	16.9
253.14275	18.1
253.17899	71.9
260.06308	19.2
265.14154	4.8
288.05667	3.6
306.20566	12.2
307.15140	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
56.05031	7.9
56.96541	0.7
57.07067	9.3
58.06344	0.8
58.06592	14.6
60.04514	3.6
64.96131	0.6
67.05496	0.9
68.05807	0.7
70.06567	0.9
71.08611	3.2
72.08130	4.1
74.06062	7.1
74.65091	0.6
81.07038	1.0
85.10167	1.2
85.37772	0.6
86.06063	7.6
88.07616	61.0
89.05983	0.7
93.07010	0.7
95.04938	0.8
95.08553	0.9
98.97552	0.7
100.07591	2.6
104.07108	6.4
106.17082	0.8
117.75808	0.7
118.08612	1.1
121.10106	0.7
131.98322	0.7
132.10178	19.4
162.11263	3.3
166.10712	3.2
194.66055	0.7
196.20567	0.7
214.21622	58.8
258.24213	20.9
282.63736	0.8
288.25333	2.7
301.92776	0.7
302.86661	0.7
306.26352	100.0
307.12955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96315	0.2
55.05498	1.6
57.07063	0.5
58.53489	0.2
63.36235	0.2
67.05495	1.9
67.05836	0.2
68.05015	0.4
68.80158	0.2
69.07059	3.0
70.02940	2.3
76.28439	0.2
79.05463	2.4
80.21387	0.3
81.07034	4.2
83.08598	0.6
84.04479	1.6
86.87782	0.2
87.60949	0.2
88.03989	1.2
91.05467	1.3
93.07027	9.0
94.06545	0.3
94.07853	0.3
95.04941	0.3
95.08594	2.6
96.04479	1.8
98.97601	0.4
105.06998	2.3
107.08586	6.8
108.08099	0.5
109.10143	2.5
110.06038	2.6
116.03444	3.3
117.07037	0.4
118.90681	0.3
119.08552	1.6
120.08097	0.4
121.10117	6.4
122.05947	0.3
123.11696	0.4
124.07630	0.5
129.04205	0.4
130.04977	1.6
131.08537	0.6
132.08089	0.3
133.10138	1.3
135.11694	5.1
136.07600	1.5
137.13246	0.4
142.04965	2.0
145.10117	1.2
148.07523	0.3
148.11176	0.5
149.13252	0.4
150.09085	0.6
153.33763	0.3
156.06532	2.8
159.11653	1.6
160.11186	0.4
161.13148	0.4
164.10707	0.3
168.06534	0.5
170.08096	0.4
176.10587	0.4
177.16364	1.2
178.12238	0.3
180.06564	1.1
182.08092	4.2
190.15866	0.3
194.08131	1.1
195.08678	0.3
196.09665	1.5
206.08130	0.3
208.09625	2.5
209.10490	1.2
218.15355	3.1
221.10512	0.7
222.11221	11.9
222.13252	0.6
223.11952	0.6
224.22699	0.3
230.19260	0.3
248.12823	2.3
250.14285	1.2
260.19998	0.3
262.14349	1.2
263.15106	4.4
264.15912	6.5
286.11438	0.3
306.20602	100.0
307.20923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81204	0.3
58.02964	0.5
63.59402	0.3
67.97139	0.3
69.07059	1.5
69.76962	0.3
79.05499	0.6
81.07050	0.7
91.05466	0.5
91.78899	0.3
93.07044	0.4
94.04161	2.1
109.10217	0.3
122.03623	8.6
133.10123	0.5
135.11685	0.7
137.05962	100.0
146.13049	0.4
167.48683	0.4
182.15393	1.7
186.73112	0.4
306.20877	0.5
313.95270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
55.05502	4.6
56.05023	0.8
56.96550	3.9
57.07066	8.0
57.95983	0.6
58.06593	2.5
59.04987	3.2
60.45138	0.7
67.05486	3.0
69.03426	0.9
69.07060	7.1
70.02940	1.0
70.06578	29.1
71.04973	3.3
71.08616	4.5
71.30615	0.7
72.08131	2.9
73.06577	0.6
79.05482	7.4
81.07034	8.8
82.06527	0.9
82.07372	1.0
83.04972	1.5
83.08597	1.3
84.04472	1.6
84.08128	3.2
86.09704	4.9
88.03997	1.2
88.07608	10.5
91.05453	3.3
93.07022	13.3
94.07321	1.0
95.04935	1.6
95.08596	5.8
95.09113	0.7
96.04491	0.9
96.05278	0.6
97.06483	1.0
98.97548	1.2
101.90762	0.7
102.09152	5.6
102.28088	0.6
105.07023	4.2
107.08569	10.2
109.06519	1.2
109.10143	7.2
109.95034	0.6
116.03443	1.7
119.08569	3.8
121.10120	7.3
124.41833	0.8
129.04204	1.3
130.04958	1.6
131.08600	0.9
132.10184	9.4
133.10091	4.2
135.11674	7.4
142.04962	1.4
145.10138	1.1
146.11769	9.2
147.11656	1.1
149.08383	0.7
151.11273	0.8
156.06549	1.6
156.17455	3.4
159.03322	0.8
159.11696	0.8
180.06564	3.2
182.08139	3.0
182.18961	0.9
194.27049	0.7
196.09781	1.1
200.20084	17.7
208.09615	1.3
209.10374	1.3
218.15442	4.0
222.11224	16.6
230.05400	0.8
237.18489	0.8
242.13557	0.7
244.22672	46.8
248.12724	1.5
250.14523	0.9
262.14328	0.9
263.15018	5.1
264.16006	3.3
306.05811	4.2
306.20636	100.0
306.26245	70.6
313.64700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12309	0.1
51.19400	0.1
54.40335	0.1
55.05487	0.2
57.07048	0.1
58.94068	0.1
62.30841	0.1
67.04233	0.3
69.03423	0.2
71.75256	0.1
75.27148	0.1
77.45033	0.1
77.87960	0.1
79.05468	0.1
81.03438	0.2
82.02911	0.3
83.04969	0.1
84.08118	1.8
85.02887	0.7
85.06509	0.8
87.04463	0.3
89.53783	0.1
89.76495	0.1
90.94769	0.2
97.02848	0.2
98.06040	0.1
99.01743	0.2
99.04415	0.2
102.09148	0.9
103.03960	1.0
105.06992	0.6
106.25891	0.2
107.04941	1.0
108.05277	0.2
109.02878	0.5
112.07578	0.9
115.05434	2.5
117.05718	1.4
127.03889	0.5
127.07571	0.1
130.08632	2.6
132.08064	5.1
133.06453	0.8
139.03853	2.1
142.06496	0.7
144.06587	0.6
144.10101	0.2
145.08598	0.3
149.96114	0.2
150.96950	0.2
151.03943	0.2
159.06775	0.6
159.10197	0.2
160.07542	100.0
161.07884	0.6
163.03998	0.2
168.06804	0.1
177.10188	6.9
177.11691	0.3
177.88885	0.1
252.99280	0.2
253.06868	0.3
263.98880	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	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
52.26178	1.3
52.76230	1.2
53.03933	2.2
55.01870	2.0
55.05315	1.0
55.05513	19.7
56.66877	1.2
56.96554	11.4
57.07061	7.2
58.38770	1.3
59.04980	1.8
63.42601	1.1
67.05510	19.7
69.03427	1.8
69.07061	33.1
71.04966	9.0
71.08620	1.9
74.27034	1.2
79.05479	32.8
81.07045	73.9
83.04974	3.2
83.08607	11.3
85.06525	1.3
87.15894	1.8
88.07614	1.9
88.73603	1.3
91.05458	18.3
93.07027	38.1
95.04941	6.4
95.08596	43.5
97.06512	9.3
97.10135	7.9
98.97588	1.6
99.08068	2.7
105.07019	32.2
107.04951	15.3
107.08586	60.9
109.06510	100.0
109.10157	33.2
111.04406	1.7
111.08064	1.4
113.09609	1.4
116.98645	2.8
117.07012	13.5
119.08576	21.0
121.06537	12.5
121.10128	21.7
123.08066	7.2
123.11692	14.1
125.05980	3.4
125.09625	17.1
126.08924	1.5
127.07487	1.9
128.06161	2.2
129.06996	7.3
130.07785	2.0
131.08553	22.1
133.06502	2.2
133.10101	19.1
135.08008	10.2
135.11681	15.3
137.05989	2.1
137.09573	2.0
137.13254	18.5
141.06996	2.8
142.07817	2.1
143.00192	1.7
143.08566	12.1
145.10104	19.8
147.08070	6.3
147.11714	13.4
149.08539	1.7
149.09625	31.0
149.13293	10.9
151.11172	8.0
153.09131	5.1
155.08496	2.2
156.09383	6.7
157.10104	13.3
159.07977	2.3
159.11751	12.8
161.09572	2.4
161.13208	11.1
163.11133	23.4
163.14777	9.1
165.12796	1.8
167.10674	2.1
171.11681	13.6
173.13226	10.4
175.11230	5.3
175.14882	2.5
177.12749	3.0
177.16432	2.4
185.13260	12.6
187.11137	1.7
187.14763	5.9
189.16389	2.1
191.14278	7.4
199.14827	6.0
201.04353	8.8
201.16336	2.6
205.15886	9.2
209.15366	3.0
213.16360	9.6
217.15884	7.8
219.05304	8.3
223.16913	7.9
227.17813	1.9
229.03806	1.6
245.18904	1.7
251.05832	7.0
262.09592	2.4
269.22556	32.9
271.10129	8.0
279.05359	2.6
287.20505	3.0
287.23642	52.4
291.09030	1.7
297.06525	4.7
305.11395	2.8
305.21320	3.0
305.24686	40.8
313.71744	1.7
319.08456	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.55590	0.9
55.05499	7.0
57.07079	1.5
60.84640	1.0
67.05499	14.5
69.07056	37.8
69.93697	1.0
69.94888	1.2
71.04971	7.3
79.05475	7.3
80.96748	1.0
81.07043	25.2
83.08591	6.0
85.02886	7.6
91.05466	7.0
91.74179	1.1
93.07020	26.0
95.08593	25.1
99.04456	1.3
103.38142	1.0
103.44903	1.2
105.07016	14.0
107.08578	38.8
109.09385	1.7
109.10142	47.9
119.08576	13.6
121.10128	22.6
123.11681	7.9
127.11156	4.4
131.08514	5.2
133.10117	12.3
135.11659	8.6
139.35672	1.4
143.08563	6.5
145.10083	10.2
147.11671	12.2
149.13235	25.6
155.10651	4.5
157.10092	5.3
159.11696	4.6
161.13194	8.9
163.14784	100.0
165.88513	1.2
171.11703	1.5
173.13229	2.7
175.14835	9.5
177.16379	2.3
187.14790	2.3
189.16330	9.7
199.14859	4.6
201.16335	6.3
204.59714	1.2
213.16335	5.8
215.17918	2.5
216.15259	1.1
245.19046	1.7
259.20514	11.6
259.24161	1.9
269.22589	4.4
287.23563	19.3
305.24762	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	305.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42332	0.8
55.05503	1.6
60.04520	15.5
67.05492	4.0
68.21010	1.0
69.07043	2.2
76.02448	1.1
79.05488	4.0
81.07053	11.5
81.75061	0.8
85.06561	0.8
89.23496	0.9
89.69788	0.8
91.05439	1.8
93.07031	11.5
95.08567	5.1
101.09566	1.0
105.07000	4.7
107.08566	7.9
109.10146	4.5
119.08551	2.0
121.10118	22.1
123.11664	1.1
133.10049	3.3
135.11676	4.9
136.34502	0.9
143.08566	1.1
145.10072	1.2
149.13220	5.9
164.16354	0.9
175.92522	1.1
186.92972	0.8
188.14720	0.8
191.43550	0.9
205.19479	8.0
225.18703	1.1
264.23166	4.2
287.20059	1.6
305.20831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.50071	3.3
51.33217	3.6
53.79392	3.4
55.01862	4.7
55.05495	27.6
57.07053	18.7
62.28638	4.8
65.81479	4.0
67.05489	36.9
69.07053	58.7
71.04968	11.2
72.53362	4.2
74.45428	4.7
79.05474	24.6
81.07047	78.3
83.08590	20.8
91.05458	27.0
93.07020	65.5
95.04954	7.8
95.08590	92.0
97.06539	6.7
99.04449	9.1
105.07020	53.6
107.04925	10.1
107.08574	92.0
109.06463	5.7
109.10152	49.0
115.07571	4.9
117.07006	6.9
119.08561	55.7
121.06480	10.6
121.10117	53.2
123.07994	5.6
123.11704	38.1
125.09614	10.3
129.06981	6.7
129.85075	4.4
131.08568	39.5
133.10094	44.1
135.08040	4.8
135.11687	31.3
137.13261	10.5
139.11147	5.8
143.08519	16.6
145.10126	36.7
147.11694	39.1
149.09587	19.4
149.13263	22.6
150.89120	4.7
153.09146	4.8
153.12662	8.6
157.10143	8.6
159.11664	18.9
161.09604	8.9
161.13226	41.5
163.11151	24.3
163.14821	11.0
165.19783	4.4
173.13275	9.8
179.14328	10.1
185.13176	5.7
187.14735	35.1
189.12730	5.7
199.14815	8.0
213.16362	5.3
217.19550	5.7
245.18983	37.7
269.22574	33.9
287.23627	100.0
300.48019	5.3
305.24725	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	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.07920	1.4
51.10303	1.3
53.00305	1.3
55.01862	1.4
55.05501	16.0
57.06844	1.4
57.07066	21.8
59.04989	12.4
61.42793	1.4
67.05485	21.9
68.19785	1.5
69.04087	1.4
69.07052	53.5
71.04949	1.6
79.05457	18.0
81.07037	79.8
83.08595	11.4
85.06529	2.7
88.12129	1.6
90.79613	1.7
91.05460	21.2
92.09295	2.4
93.07021	48.7
95.04939	2.8
95.08578	100.0
97.06559	2.0
97.10125	6.9
105.07008	32.4
107.04921	12.2
107.08567	36.4
109.06510	15.5
109.10143	42.9
111.11674	2.5
117.06960	8.3
119.08545	27.6
121.06448	3.2
121.10085	32.6
122.07281	3.9
123.07954	2.6
123.11677	29.1
124.12461	7.4
125.13203	12.0
131.08522	10.1
132.81789	1.5
133.10106	52.9
135.08022	3.5
135.11670	16.8
136.12411	2.1
137.13229	92.4
138.14005	2.1
143.08485	2.4
145.10092	12.0
147.07979	2.2
147.11659	25.0
149.09601	25.4
149.13231	13.9
151.11166	2.7
157.10091	3.9
159.11710	2.7
161.13225	14.1
163.11171	6.3
163.14799	12.8
164.11949	3.5
171.11696	3.7
173.13232	3.0
175.11227	2.7
175.14793	16.4
175.18849	1.7
177.16350	7.5
185.13159	2.4
187.14738	3.3
189.16344	6.7
201.16309	2.2
213.16460	1.8
215.17915	2.0
217.19524	21.0
231.17296	2.1
236.67648	1.6
245.22589	7.7
246.19777	6.8
246.23346	2.0
263.20212	3.1
269.22583	8.3
273.22092	2.1
287.23581	18.2
288.24313	8.8
305.24594	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	305.2475
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.05504	6.2
57.07069	4.3
60.01325	2.2
64.32650	2.2
67.05504	13.0
69.07067	44.6
73.83585	2.6
79.05486	15.7
81.07050	52.2
83.08609	4.9
83.15859	2.2
83.29613	2.2
91.05479	9.7
93.07050	39.3
95.08601	49.4
97.06494	2.7
105.07039	18.4
107.08581	33.5
109.06560	3.1
109.10176	24.7
112.44163	2.8
119.08578	16.9
121.06488	3.5
121.10144	100.0
123.11694	5.0
124.65804	2.3
131.08623	5.1
133.10100	6.5
135.08128	3.8
135.11697	18.4
137.13283	19.1
143.08565	5.1
145.10135	4.8
147.11699	10.7
149.13274	17.6
159.11642	3.4
161.13281	5.9
163.14825	11.7
175.14847	16.5
177.16357	6.4
179.14349	4.1
193.45110	2.9
213.16425	5.3
259.20593	17.7
259.24158	13.6
269.22678	5.2
287.23724	43.7
305.24728	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35093	1.9
50.69994	2.2
50.81114	1.9
53.03938	2.1
55.01872	4.1
55.05512	24.1
57.03421	12.0
57.07067	2.2
59.04981	12.6
59.21971	2.2
61.64974	2.2
65.03939	3.3
66.69082	1.8
67.05495	28.9
69.03417	15.1
69.07061	14.7
71.04978	23.4
73.06551	3.0
75.04462	10.6
79.05475	44.6
81.03410	9.9
81.07040	100.0
83.04970	33.8
85.02887	2.5
85.06537	12.2
87.04467	2.2
90.67218	2.4
91.05467	59.2
91.06017	4.2
93.07023	80.6
95.04343	3.1
95.04945	74.5
95.08592	39.6
97.06493	16.6
99.04442	11.8
105.07015	78.7
107.04958	3.7
107.08577	65.7
109.06506	47.9
109.10149	12.1
111.04433	2.8
111.08099	4.6
112.50328	2.3
113.05999	2.6
116.06274	2.9
117.07011	17.6
119.08562	76.7
119.09393	3.2
121.06495	12.5
121.10124	20.2
123.04442	2.9
123.08067	18.2
125.09618	4.2
127.03915	4.0
128.06213	3.0
129.07011	5.2
130.07744	3.0
131.08553	25.9
133.06541	2.7
133.10103	28.8
135.08055	13.5
135.11687	15.6
137.09595	9.5
141.09172	2.9
142.07776	4.5
143.08575	10.5
145.10098	32.8
147.08025	2.8
147.11664	17.6
148.12064	3.3
149.09641	8.7
151.07550	12.8
151.11220	3.4
155.08510	2.4
157.08748	2.3
157.10139	9.7
159.08069	4.0
159.11693	10.2
161.09619	4.7
163.11140	17.4
165.12755	3.4
167.10681	2.9
169.08566	3.7
169.10023	2.8
175.11131	5.1
177.12712	3.8
179.10674	10.6
181.12236	4.6
182.88031	2.6
187.14871	9.8
205.15808	2.8
206.16216	2.6
215.14407	5.3
229.73659	2.5
233.15294	20.0
251.16399	3.7
269.17355	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	305.1744
Annotation	Platensic Acid Methyl Ester
Peak:m/z	Relative Intensity
53.03920	1.4
54.26505	0.9
55.01624	1.9
55.01867	32.7
55.05496	5.7
59.04972	1.5
65.03920	2.6
67.05492	8.5
69.03418	1.9
69.07043	5.7
69.50516	1.2
70.05014	1.0
71.04964	2.0
79.05480	12.7
81.07040	12.8
81.85661	1.1
83.04935	2.2
88.07642	1.1
91.05466	18.4
93.07021	20.5
95.04939	13.7
95.08567	6.2
97.06496	5.4
103.05437	2.3
105.03393	1.6
105.07028	16.3
107.04945	2.9
107.08588	19.1
108.56467	1.1
109.06509	7.1
109.10116	5.1
111.04443	1.7
112.05156	1.3
115.05473	4.4
117.07004	5.1
119.04904	1.9
119.08572	7.1
121.06484	17.2
121.10121	5.5
123.04374	5.8
123.08066	2.6
124.05210	1.3
125.05917	2.4
125.09608	2.7
128.06209	4.7
129.06984	8.2
131.04884	2.9
131.08560	5.2
132.05678	1.8
133.10080	7.9
135.08017	14.5
135.11676	7.3
137.05927	5.0
137.09712	1.2
139.07536	2.5
140.04675	2.3
141.05470	1.4
141.06952	1.5
142.07814	1.4
143.08533	7.6
145.06458	2.8
145.10114	2.7
146.07243	2.4
147.08025	47.8
149.06000	2.8
149.09608	5.3
151.07507	8.0
151.11183	2.6
153.06995	5.2
153.09081	1.5
155.07016	39.9
155.08344	1.9
156.09384	1.6
157.06448	2.1
157.10086	2.0
159.08052	4.4
159.11552	1.6
161.05948	2.5
161.09592	17.3
163.07498	11.1
167.06970	2.7
170.07224	2.1
171.07979	8.3
171.11693	2.6
175.11087	1.8
185.09563	5.1
185.13193	2.4
189.09155	1.6
198.10300	1.5
199.07639	2.2
199.14717	1.5
203.10646	5.7
203.14346	5.8
213.12668	4.7
240.11327	1.7
241.12198	5.0
245.11659	1.4
245.15277	2.0
256.26257	1.3
273.14807	37.0
304.28403	4.6
305.17416	100.0
305.28662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1593
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03936	3.0
54.81893	1.2
55.01865	2.7
55.05512	13.3
56.25379	1.3
57.03424	6.6
57.07066	11.4
57.07309	1.5
59.04992	1.8
61.02903	8.6
67.05479	3.4
67.33865	1.2
69.03412	24.3
69.07047	1.8
71.04974	63.6
73.02890	2.8
73.06518	7.0
73.87463	1.4
79.05468	8.9
79.06787	1.3
81.03392	8.9
81.07027	6.3
83.04956	14.6
83.08607	12.0
85.02885	49.2
85.06519	31.4
87.04426	2.1
91.05462	6.9
93.06997	1.5
95.04939	7.3
97.02892	13.9
97.10145	22.3
105.06995	3.2
107.08574	80.6
109.02872	6.9
109.06498	3.1
119.08482	1.6
125.09598	100.0
127.03853	7.8
137.05986	1.6
137.09549	1.4
138.03239	1.5
138.88699	1.5
143.10657	81.6
145.04953	3.2
167.10634	5.6
213.06044	1.6
241.75273	1.3
247.16414	1.5
251.12549	1.5
285.07031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27274	0.6
53.03940	4.0
55.05310	0.7
55.05511	10.3
56.05020	0.9
56.96563	0.9
57.07066	3.2
60.01805	0.6
65.03941	0.9
67.05494	4.6
69.07059	7.4
71.04985	0.9
72.91478	0.7
79.05482	28.6
81.03379	1.1
81.07026	7.4
83.04976	1.7
91.05467	19.3
93.07026	80.0
95.04951	8.5
95.08594	3.0
105.04493	1.5
105.07024	9.7
107.08582	70.3
109.02865	6.2
109.06492	3.7
109.10169	1.0
111.04364	1.3
119.08585	6.3
126.03119	3.7
131.08549	1.4
133.10138	1.4
135.08051	1.0
135.11679	100.0
137.13290	1.3
138.03101	3.7
141.05450	18.4
145.10112	1.4
147.08208	0.9
147.11610	1.1
152.90643	0.9
153.01854	0.9
159.11685	0.8
167.03342	0.8
168.04158	76.1
169.04916	25.3
183.06493	11.9
287.20023	0.9
292.22455	1.0
304.28445	1.0
305.17450	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	305.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52399	0.4
53.00296	0.7
53.03928	2.2
55.01868	0.9
55.05510	5.3
56.05816	0.8
56.96555	2.4
57.07061	2.3
59.04986	1.1
63.39685	0.5
67.05489	6.0
67.24956	0.5
68.05831	0.9
69.03414	1.3
69.07055	3.5
71.04992	4.6
79.05482	8.7
80.05808	1.1
81.07046	12.1
82.07375	2.4
83.04967	2.5
83.08614	1.1
85.06528	1.0
91.05466	8.2
92.05769	0.9
92.08757	0.9
93.07030	10.2
94.07376	2.4
95.04961	6.3
95.08594	5.7
96.05272	1.1
96.08947	1.1
97.06512	2.2
98.97591	0.7
105.03391	15.4
105.04488	1.0
105.07027	10.2
106.07365	1.1
107.08586	8.7
108.08942	1.1
109.06495	3.1
109.10164	3.5
110.10454	0.6
111.08051	1.0
117.06995	2.9
119.08578	7.3
120.08899	2.4
121.06447	1.0
121.10146	2.4
123.08021	0.9
125.06072	0.6
125.09616	0.7
129.06973	0.9
131.04817	0.5
131.08554	3.1
133.10107	2.9
135.08080	1.1
135.11635	0.8
137.09593	1.1
142.07739	0.8
143.08681	0.7
145.10097	2.5
146.10458	0.7
147.11719	1.0
157.10110	0.8
159.08000	0.7
159.11751	1.0
161.09688	0.6
173.13208	0.8
176.04390	0.9
191.06772	0.9
217.08342	100.0
218.08586	0.6
220.96622	0.5
245.11450	0.7
246.37074	0.6
287.12613	0.8
305.13593	35.4
305.17062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05367	0.2
52.47031	0.2
53.03937	1.2
53.33041	0.3
55.01863	1.1
56.96560	0.5
57.03437	2.5
61.02919	2.8
69.03068	0.4
69.03415	7.9
71.01357	1.0
71.04960	1.2
73.02898	1.2
81.03398	2.8
83.04956	0.5
85.02891	20.5
86.09666	0.4
91.03944	0.3
97.02870	39.9
98.42165	0.3
98.97573	0.6
98.98466	0.5
99.04428	0.6
100.07622	0.6
100.81135	0.3
109.02866	2.3
116.98614	0.3
125.02326	100.0
127.03861	3.2
128.07059	2.2
129.07368	0.4
139.03845	0.3
143.03377	40.6
145.04930	1.7
187.26682	0.3
195.66795	0.4
206.32367	0.3
219.96686	0.3
228.53154	0.3
305.12012	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	305.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03929	2.8
53.57056	0.5
54.62547	0.6
55.01854	2.9
55.05495	0.8
57.03426	5.7
59.04995	0.7
61.02918	4.6
63.38660	0.6
67.05483	2.9
68.99766	2.5
69.03069	1.0
69.03417	20.2
69.07051	10.1
70.06548	0.8
71.04974	2.6
71.82757	0.6
72.08145	1.0
73.02893	1.3
75.62013	0.5
79.05473	51.9
81.03385	5.5
81.07037	24.5
83.01349	0.7
83.04955	3.0
84.08157	1.2
85.02889	39.9
87.04447	1.1
90.29117	0.6
91.03927	1.3
91.05452	3.2
93.07021	4.2
95.04922	7.1
95.08594	1.2
97.02869	10.1
97.06509	43.9
99.04459	1.4
103.03904	0.8
105.07018	3.4
107.04949	7.7
107.08575	1.5
109.02842	4.4
109.06503	3.0
111.04405	0.9
119.08539	2.5
121.10140	0.9
123.04383	2.6
125.05968	75.9
125.09634	0.8
127.03880	7.8
131.08554	3.2
132.08859	1.1
133.02831	0.9
135.08127	0.8
139.03880	13.4
143.03378	46.1
143.07016	100.0
145.04941	2.5
145.10117	1.4
146.10451	0.9
147.11707	1.0
148.11995	0.8
149.09576	1.0
151.03908	3.0
156.08064	0.6
158.10483	0.6
162.83258	0.7
168.81686	0.6
173.13181	0.8
179.03392	2.7
185.09077	0.7
187.18741	0.8
203.03432	1.1
215.08170	3.2
216.14589	1.0
221.15259	0.9
222.15662	0.9
233.15295	1.4
234.15776	0.7
251.16542	0.8
287.10236	1.1
305.06476	0.8
305.11322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01867	0.9
55.05500	3.6
56.96555	4.0
57.03424	1.0
57.07059	3.7
59.04981	3.0
67.05480	6.2
68.05815	1.3
69.03420	1.3
69.07042	4.0
71.04970	6.4
78.64164	0.8
79.05472	9.6
81.07037	13.0
82.07372	0.9
83.04958	3.4
83.08627	1.1
85.06528	1.4
91.05436	7.5
92.05811	1.7
93.07028	11.6
94.07402	0.9
95.04934	6.6
95.08576	5.8
95.63703	0.7
96.08919	0.9
97.06499	1.3
97.49020	0.7
103.05325	0.7
105.03375	2.9
105.07027	11.1
106.07375	3.3
107.08591	8.2
108.08917	1.7
109.06490	3.2
109.10141	3.7
111.08054	1.6
111.75237	0.8
119.08555	6.4
121.06497	0.9
121.10121	4.6
122.10439	1.3
123.08075	0.9
123.11649	1.2
129.07030	1.3
131.08568	4.0
132.82959	0.8
133.10072	4.4
135.08012	1.5
135.11690	0.8
137.09612	1.2
143.08536	1.0
145.10121	3.5
159.11667	1.2
163.11226	1.1
164.80769	0.8
177.81917	0.8
180.10744	0.7
185.13286	0.9
217.08330	100.0
245.11449	1.3
260.24323	0.8
269.06784	0.8
277.64349	0.9
305.13568	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	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03933	0.6
54.53937	0.4
55.01851	0.8
55.05484	1.0
55.22377	0.4
65.03924	2.4
67.01839	0.9
67.05487	2.1
68.99774	3.2
69.03408	2.0
69.07048	1.0
71.04977	2.2
79.05470	2.4
81.03394	0.9
81.07044	7.3
82.07390	0.5
83.01305	0.5
83.04966	1.6
85.06523	0.5
88.42239	0.4
91.05454	1.0
93.03374	0.7
93.07048	3.8
95.04956	4.8
95.08588	0.7
97.02887	0.7
97.06510	1.9
98.06746	0.4
105.03394	1.0
105.07017	2.6
107.04892	0.5
107.08559	1.8
109.06504	7.4
110.06830	1.6
110.18870	0.4
111.00778	0.5
111.04456	5.2
111.08044	0.6
111.72634	0.4
115.05419	0.5
117.03453	0.6
119.08573	2.8
121.02846	11.4
121.10051	0.7
123.04408	39.6
123.08039	0.6
125.05975	1.9
128.06161	0.8
129.06966	1.7
131.08531	0.8
133.02840	2.1
133.10150	0.6
135.04408	3.2
135.08041	1.0
136.07509	0.8
137.02232	0.5
137.09647	0.7
139.03897	5.4
139.05423	0.7
145.10124	0.5
147.04344	0.7
149.02324	46.9
150.03075	1.9
151.03889	0.8
153.01811	100.0
154.02368	0.6
157.06458	4.6
161.02333	3.3
161.09576	0.7
163.03949	0.6
163.11131	0.9
165.09126	0.7
167.03375	10.2
167.04774	0.9
175.07536	2.0
175.11130	0.7
179.03378	0.9
179.10696	0.5
181.12250	0.6
185.05925	8.4
189.05482	0.5
195.02870	10.6
213.05431	11.2
215.14320	0.7
231.06494	33.4
241.04929	4.9
246.02325	0.5
259.05957	17.8
287.05457	6.9
305.06451	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03925	0.8
55.01861	1.2
55.05494	2.4
57.07050	0.5
59.04988	1.1
65.03919	1.9
67.01859	1.8
67.05486	5.5
67.84464	0.4
68.99760	3.0
69.03411	2.4
69.07055	4.7
71.04968	4.5
73.06542	0.7
75.04444	1.0
79.05464	3.6
81.03401	0.8
81.07037	7.5
83.04971	9.9
85.02881	0.5
91.05447	5.3
93.07024	7.6
94.07335	0.7
95.04952	11.5
95.08582	5.7
97.02866	0.9
97.06532	3.6
98.06820	0.5
99.04412	2.2
105.03362	0.7
105.07010	6.3
106.07329	0.7
106.69167	0.4
107.04951	0.9
107.08579	4.8
108.08904	0.4
109.06496	1.2
109.10131	2.3
110.06924	0.5
111.04438	7.3
111.08053	1.0
113.09628	1.0
114.37007	0.5
117.06969	1.0
119.08572	5.2
120.08900	0.9
121.02837	8.9
121.10094	2.0
123.04405	37.4
123.08039	5.0
125.05972	0.5
125.09666	0.7
127.03933	0.8
127.07616	0.7
128.06200	0.9
129.07007	0.9
131.08521	2.3
133.02820	2.0
133.10118	2.9
135.04393	3.1
135.08043	3.9
135.11696	0.6
137.02341	0.5
137.09619	2.8
139.03870	6.3
141.09111	0.6
143.08534	0.8
143.69745	0.5
144.08997	0.5
145.10126	2.6
147.04353	2.2
147.11662	1.0
149.02328	44.9
149.09607	0.9
150.03110	0.8
151.03865	2.0
152.08301	0.6
153.01810	100.0
153.05423	3.0
155.10693	1.1
157.06464	3.2
159.10197	0.7
161.02332	3.1
161.05914	0.7
161.09575	2.4
163.11160	1.0
165.09012	0.7
167.03368	9.5
169.06419	0.5
179.03368	0.7
179.10645	2.7
183.10129	0.9
185.05927	7.0
195.02901	8.3
201.05466	0.5
201.11191	1.9
203.03220	0.7
203.06973	0.6
213.05450	9.4
231.06490	26.8
233.15422	0.9
241.04884	3.7
251.16405	1.0
258.05121	1.8
259.05966	14.4
262.46295	0.5
287.05435	7.6
305.06494	5.9
305.16330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.02182	0.9
55.01839	1.2
65.03914	5.1
66.84045	1.3
67.01855	2.0
67.05484	1.9
68.30268	1.1
68.99777	2.1
95.04977	2.9
101.32111	1.3
104.17076	1.4
105.03381	2.7
105.06969	1.2
111.04429	8.2
113.02991	1.4
118.91046	1.2
121.02846	17.9
121.35529	1.3
123.04401	78.9
127.03871	1.6
129.07004	1.3
133.02777	4.4
134.33670	1.3
139.03880	7.3
139.05394	1.2
147.04532	1.7
149.02322	86.7
150.03076	1.5
151.03902	2.3
153.01811	100.0
157.06464	5.7
161.02303	6.8
163.80312	1.3
167.03394	15.4
175.03877	1.5
175.07535	1.8
185.05971	13.3
185.64648	1.3
195.02924	10.6
203.07043	1.5
213.05371	19.4
223.67982	1.4
231.06465	57.6
241.04953	8.5
258.05206	2.9
259.05972	36.4
287.05460	13.6
305.06610	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	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.48492	1.2
65.03925	2.2
67.05491	2.3
68.99777	2.6
73.50752	1.5
78.18890	1.3
85.36497	1.4
95.04941	6.7
96.87930	1.4
104.43875	1.4
108.26930	1.3
111.04424	8.5
114.40929	1.5
115.59722	1.4
121.02843	14.4
123.04416	71.0
129.07024	2.1
133.02835	2.9
135.04407	3.5
139.03888	6.9
149.02332	76.9
151.03902	1.9
153.00568	3.5
153.01816	100.0
157.06479	6.7
161.02299	8.6
163.51129	1.4
164.07231	1.5
167.03392	9.0
185.05989	12.2
189.05373	1.6
195.02858	9.9
198.27641	1.6
213.05434	23.0
231.06467	58.1
241.04919	8.0
259.05978	36.3
287.05389	13.2
305.06573	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	304.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05497	1.9
57.07053	0.7
59.04994	1.1
65.03928	1.0
66.96499	0.8
67.05473	1.5
69.03424	1.5
69.07056	6.0
71.04985	0.9
79.05440	3.4
81.07032	11.5
83.04952	1.1
85.06514	0.8
91.05450	8.3
93.07018	8.9
95.04930	4.5
95.08575	8.7
97.06507	2.9
99.04411	1.1
105.07010	27.4
107.04945	1.2
107.08571	7.4
109.06499	1.8
109.10144	1.2
117.07027	6.6
119.08553	37.1
121.02824	1.2
121.06487	4.0
121.10129	1.8
123.04424	8.0
123.11657	0.8
127.03908	1.1
128.06165	1.1
129.07042	1.3
130.07806	1.0
131.08557	10.4
133.06450	9.5
133.10115	17.6
135.07996	1.7
136.42149	1.0
139.03847	0.9
142.07735	1.2
143.08542	9.8
144.75359	0.7
145.09105	1.2
145.10106	17.5
147.08035	17.2
147.10570	1.5
147.11662	22.7
149.02318	9.9
149.09615	1.2
151.01643	1.0
151.03899	1.8
151.07605	0.8
153.01848	8.6
155.08542	3.9
157.10153	8.1
159.11636	8.0
161.09590	40.7
161.13197	13.2
163.11118	3.5
169.10083	1.3
173.09554	3.2
173.13161	3.6
175.11151	3.9
175.14786	44.7
177.12740	1.5
185.05847	0.8
185.11757	0.9
185.13223	5.4
187.11098	1.1
187.14767	3.2
189.12752	1.1
195.02931	1.0
197.13239	3.4
203.14288	44.6
205.12213	1.7
205.15927	1.6
207.13683	1.3
209.18762	0.9
213.05391	1.2
215.14317	3.4
219.70660	0.8
221.15321	100.0
231.06514	6.9
233.11617	1.5
233.15251	6.2
251.12776	1.9
251.16389	3.5
259.05963	3.6
281.15311	0.9
287.05328	1.2
304.21323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10072	1.0
50.72268	1.0
50.93149	1.0
55.05502	2.5
57.07065	1.3
58.04213	2.2
71.04984	1.6
75.04463	100.0
79.05478	7.9
81.07045	13.3
91.05479	6.3
93.07040	2.1
95.05001	1.4
98.67462	1.2
100.32217	1.4
100.57873	1.1
105.07040	2.0
111.91898	1.2
114.44991	1.2
150.07254	1.3
169.22475	1.3
203.72015	1.3
218.24753	1.3
283.66183	1.5
297.57703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.9
55.01861	9.2
55.05509	38.0
57.03422	2.3
59.04984	5.2
64.05729	2.0
65.03883	3.6
67.05491	29.4
69.07053	18.7
71.04613	3.5
71.04982	82.1
71.05369	2.9
72.04390	2.2
75.04436	4.7
75.99704	1.9
79.05482	52.1
81.07041	100.0
83.04964	15.2
83.08595	15.6
85.06513	4.3
91.05466	43.4
93.07021	69.9
95.04945	40.9
95.08587	36.3
97.06499	23.0
105.04544	2.5
105.07019	29.9
107.08582	21.5
109.06512	4.9
109.10160	5.5
111.08081	3.0
117.07001	5.4
119.08562	15.2
121.10164	4.3
123.08022	12.2
125.06007	3.8
131.08551	11.1
133.06406	2.3
133.10066	5.3
135.07986	3.4
145.10139	8.7
149.09595	10.4
263.67676	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	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01865	2.5
55.05264	1.5
55.05507	21.5
57.03410	1.0
57.07063	2.0
58.04215	2.0
58.24632	1.0
59.04993	100.0
65.03953	1.1
67.05482	13.1
69.03407	4.9
69.07043	5.8
71.04979	24.9
75.04461	42.7
79.05469	17.6
81.03399	1.1
81.07050	20.6
82.04144	1.8
83.04964	15.1
84.05711	1.4
85.06528	10.0
91.05462	18.1
93.07032	18.6
95.04955	10.8
95.08583	8.2
97.06489	2.2
99.04437	2.0
99.08086	2.5
101.05977	2.4
101.87654	1.2
105.04539	2.0
105.07022	11.5
107.04917	1.3
107.08571	13.0
109.06496	6.1
109.10157	1.5
116.06155	1.6
119.08590	2.3
121.06495	1.3
121.10134	1.6
123.08070	1.9
125.09605	10.8
127.07605	1.3
131.08463	1.2
136.90427	1.3
139.96390	1.2
143.42793	1.3
149.09709	1.2
159.10196	2.2
204.11783	1.5
254.01332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71860	1.2
50.87934	1.5
53.03934	9.2
55.01861	3.7
55.05503	30.6
57.03420	6.2
59.04980	6.6
64.33221	1.5
65.03925	6.2
67.05492	38.5
68.11093	1.3
69.03408	3.8
69.07048	12.6
70.04238	1.4
71.04980	21.3
75.92801	1.4
79.05470	51.7
81.07035	59.9
82.07810	2.1
83.04964	16.8
85.06576	1.6
91.05460	100.0
93.07023	68.8
95.04947	37.5
95.08577	22.3
97.06500	9.5
103.05460	9.1
104.38486	1.5
105.04517	3.1
105.07016	66.3
107.04884	3.1
107.08578	52.4
108.09398	2.6
109.06514	18.5
109.10138	6.5
111.01650	1.7
115.05442	8.8
116.06237	2.0
117.07000	22.4
119.06079	1.8
119.08557	43.5
119.09386	1.9
121.06490	3.2
121.10134	10.7
123.08049	7.1
125.09599	2.6
128.06204	3.1
129.06960	8.3
130.07770	10.9
131.08537	16.2
133.10103	14.1
135.08072	2.5
135.11682	2.9
136.99040	1.6
142.07758	2.8
143.08492	3.2
145.10107	12.3
157.10167	2.0
159.11684	2.1
180.78096	2.1
240.96674	1.6
278.20721	1.6
306.98560	1.6
314.07977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85554	2.0
52.97973	2.1
53.03942	16.1
55.01861	6.4
55.05510	41.4
57.07064	2.4
59.04991	17.6
61.13946	2.1
62.58851	2.4
63.44896	2.0
65.03944	3.3
67.05498	39.5
69.03420	3.4
69.07059	14.4
71.04981	92.4
73.06552	4.9
79.05479	44.0
81.07040	90.9
83.04969	100.0
83.05437	4.6
84.22377	2.9
85.06534	18.4
87.04472	15.2
89.06034	13.3
91.05454	46.3
93.07029	40.5
95.04942	29.1
95.08592	43.6
97.06517	11.1
99.08104	3.8
105.04533	4.1
105.07034	17.6
107.08595	14.3
109.06525	12.8
109.10159	3.9
113.09633	44.1
119.08586	13.9
121.10095	3.9
123.08044	9.5
126.40427	2.4
131.08598	8.7
137.09630	4.1
141.09100	20.9
142.07716	2.6
145.10107	2.4
151.71457	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	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41204	1.2
57.07077	1.8
58.04216	3.3
67.05493	2.0
70.06580	1.7
75.04466	100.0
79.05470	6.0
81.07049	12.9
83.04971	2.1
88.07638	2.8
91.05494	2.2
93.06999	1.6
95.08578	2.7
98.14816	1.6
102.09185	1.6
105.07003	2.5
107.08618	1.8
192.13731	3.4
242.24800	7.5
304.28516	8.3
310.49799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.7
55.01854	4.7
55.05505	41.7
57.03422	13.1
57.07057	2.7
65.03920	3.0
67.05488	34.0
69.03411	13.4
69.06709	3.8
69.07056	57.9
71.04974	38.1
79.05483	34.3
81.07040	44.6
83.04962	15.9
83.08620	5.3
84.05748	4.3
85.06535	39.0
91.05469	59.8
92.08965	3.9
93.07024	100.0
95.04942	23.1
95.08565	24.5
101.05991	3.3
105.04490	5.8
105.07020	31.0
107.08574	83.3
109.06495	9.9
119.08565	13.8
121.10123	45.3
123.11670	4.9
133.10094	3.3
149.13242	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	3.2
53.03932	21.0
54.82237	3.2
55.01868	15.8
55.05507	97.9
57.03418	17.4
57.07072	33.7
59.04985	28.3
65.03928	5.2
67.05494	69.3
69.03408	23.9
69.07049	20.4
71.04969	20.5
71.24623	4.6
72.14774	3.9
79.05473	74.7
81.07036	100.0
83.04971	60.2
83.08554	4.2
85.06527	35.1
87.45303	4.1
91.05468	62.7
93.07015	48.3
95.04945	28.5
95.08569	24.8
96.05735	4.8
97.06533	15.6
105.07018	36.2
107.08582	33.5
109.06509	27.7
109.10185	5.6
119.08563	16.5
123.08051	17.5
130.80508	4.3
131.08600	8.9
133.10120	9.7
145.10091	5.6
146.11441	4.5
193.25259	4.1
199.28314	4.1
227.16385	5.4
255.62755	4.4
312.69565	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	304.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.0
55.01865	6.4
55.05506	41.4
57.03419	11.6
57.07066	55.6
59.04989	24.1
65.03926	7.8
67.05489	50.1
69.03413	8.8
69.07048	12.4
70.24355	1.9
71.04977	21.9
73.06536	11.1
75.04464	27.9
79.05476	65.7
80.34002	1.6
81.03399	12.8
81.07040	100.0
83.04972	21.3
83.08599	3.4
85.06522	32.9
91.05462	64.0
93.07026	73.5
95.04948	40.8
95.08588	51.7
97.06510	9.2
99.04446	2.2
105.04488	1.8
105.07006	31.8
107.08579	37.4
109.06503	30.9
109.10142	15.3
111.04417	2.7
111.08039	2.8
117.07000	3.0
117.42216	1.7
119.08533	11.8
121.06510	2.9
121.10140	3.8
123.08059	3.9
125.09599	2.4
131.08450	2.1
133.06544	1.8
133.10110	6.8
133.44458	1.5
137.09599	2.6
145.10089	3.2
149.09647	2.0
151.11176	8.0
157.10197	2.1
159.11658	2.0
169.46506	1.7
216.24661	2.5
235.16879	1.9
304.21210	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	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59993	2.7
53.00304	6.3
53.03930	18.5
55.01862	7.8
55.05509	95.9
56.96564	30.7
57.03423	16.5
57.07064	17.2
59.04990	22.5
65.03916	7.2
67.05495	60.3
69.03404	19.4
69.07047	23.1
71.04989	24.9
72.13503	2.9
73.06546	3.4
73.69556	3.1
79.05482	72.4
81.07039	100.0
83.04974	78.3
85.02858	4.3
85.06520	6.2
88.07620	4.7
91.05472	61.5
93.07023	63.5
94.07405	3.1
95.04948	32.4
95.08614	24.5
97.06522	18.7
99.04411	4.9
103.05454	3.6
105.04527	4.0
105.07012	46.1
106.07333	3.8
107.08578	66.1
109.06497	17.8
109.10152	8.4
111.08052	4.1
113.05985	26.0
115.05300	3.5
116.09963	3.5
116.38764	3.4
117.06981	15.2
119.08562	29.9
121.06482	6.4
121.10139	14.7
123.08012	6.2
123.11645	3.3
129.06947	3.8
131.08551	19.1
133.10135	13.7
135.08052	20.1
137.09648	4.9
138.45535	4.2
143.08556	6.6
145.10081	4.3
147.11665	5.8
153.71999	3.3
157.10072	4.6
159.11690	6.2
163.07524	13.4
167.10690	4.5
242.24828	4.9
301.12982	5.8
304.28540	5.5
309.13528	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	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64721	0.2
53.03925	0.4
55.01867	0.3
55.05486	1.1
56.96547	0.5
57.03420	1.7
59.52807	0.2
61.02902	1.7
62.22141	0.2
65.17098	0.2
67.05476	0.5
68.05025	0.2
69.03417	4.6
69.07052	1.8
71.01324	0.3
71.04977	0.5
72.08154	0.3
73.02898	0.3
79.05475	6.5
80.04981	1.1
81.03394	1.6
81.05783	4.9
81.06592	0.4
81.07040	7.4
82.02921	0.4
82.06554	1.6
84.08110	0.3
85.02895	6.8
86.06039	0.5
86.09681	5.8
87.04449	0.4
91.05456	1.2
91.68656	0.3
92.09245	0.4
93.06979	1.0
94.06551	1.0
95.04904	1.2
95.08562	0.5
96.04455	1.8
96.08113	12.0
97.02867	2.2
97.06514	0.5
98.97565	0.4
100.07034	0.3
105.06999	1.8
106.06524	1.3
106.94607	0.2
107.04958	0.6
107.08566	0.6
109.02862	1.2
109.05231	0.5
109.06489	0.5
110.06011	0.4
112.07569	1.6
119.08524	1.2
123.04432	2.1
124.04726	1.6
124.07568	100.0
127.03873	1.2
131.08559	1.5
140.07022	0.3
141.05428	0.6
142.08618	15.5
143.08580	0.3
145.04906	0.3
145.10123	1.2
147.07977	0.3
147.11668	0.7
157.10086	0.4
157.13326	1.3
159.11604	0.5
168.09427	0.3
171.11624	0.3
173.09575	0.3
173.13220	0.5
185.12906	0.5
187.14806	0.5
194.36732	0.3
197.13272	0.4
215.14281	0.4
225.20741	0.3
233.15233	1.0
251.16360	1.4
304.10883	0.5
304.14093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01867	0.4
55.05484	0.4
57.03424	1.2
57.07076	0.3
58.49535	0.3
60.04507	0.5
61.02895	0.7
64.33424	0.3
67.05499	0.6
69.03419	2.6
69.07053	4.6
70.83234	0.4
71.04992	1.1
71.08612	2.8
73.02876	0.4
74.09718	0.4
76.84682	0.3
79.05470	6.1
81.03401	1.1
81.07050	1.6
83.04933	0.4
84.04497	0.4
85.02883	8.2
91.05459	1.6
93.07003	1.7
93.95458	0.3
94.58869	0.3
95.04958	3.7
95.08589	1.5
97.02874	4.6
97.06503	1.8
99.04430	0.7
99.73456	0.3
105.04533	0.3
105.07011	2.8
106.07353	0.3
107.04937	100.0
107.08577	2.0
109.02871	1.6
109.06478	0.5
114.09146	2.1
117.06985	1.2
119.08539	1.3
121.06500	1.2
121.10149	1.1
123.04411	7.3
123.08038	0.5
127.03883	1.5
129.06993	0.4
131.08537	2.5
133.10112	1.4
137.05977	1.8
138.06281	1.5
142.08612	5.7
143.08548	1.3
145.04907	0.4
145.10049	2.2
147.08054	0.5
147.11697	1.2
149.09599	0.5
157.10155	0.4
159.11678	1.4
161.09583	0.5
165.05450	1.9
169.10225	0.4
173.09564	0.5
173.13182	0.5
175.11174	1.2
177.09108	0.3
184.09689	3.9
187.14758	0.6
196.96072	0.3
208.09669	0.5
215.14192	0.5
221.15363	0.4
221.38211	0.3
232.97957	0.3
233.15361	1.5
251.16435	0.5
304.13953	0.3
306.80984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
56.96556	100.0
59.04980	1.4
61.02935	0.8
67.05486	1.8
69.03426	1.4
69.07059	6.2
69.23327	0.9
71.04957	1.3
74.97589	26.5
79.05469	4.1
81.03401	1.0
81.07029	6.6
83.04951	4.5
85.02883	3.9
85.06493	1.2
86.09675	1.0
86.97570	6.1
91.05457	6.4
92.08645	0.9
92.65091	1.1
92.98619	3.9
93.07026	5.9
95.04959	7.2
95.08580	2.0
97.02877	1.3
97.06530	1.9
97.99169	2.1
99.04412	1.2
99.27147	0.9
104.98612	1.0
105.07013	13.3
106.37596	0.9
107.04935	46.6
107.08556	5.1
109.06483	2.0
111.04440	1.6
111.08018	1.2
111.11700	1.3
113.06018	1.3
114.96975	2.1
115.96442	1.2
116.00177	2.0
116.97205	3.6
116.98492	1.3
117.06952	4.2
119.08569	10.9
120.74177	0.9
121.06474	2.0
121.10117	1.7
123.07996	1.2
124.07594	1.3
124.27956	1.0
125.05943	1.0
127.00594	1.0
129.06920	0.9
131.08551	10.9
131.93456	0.9
132.98041	10.7
133.10077	3.5
133.97505	1.1
134.01208	3.9
135.07996	1.6
137.05995	1.9
141.02263	1.3
142.08630	1.5
143.03740	5.0
143.08521	4.4
145.10121	14.0
147.08109	2.0
147.11668	19.9
150.96895	1.5
150.99113	38.5
152.02263	1.0
155.08485	1.5
157.10120	4.2
159.03279	5.3
159.11656	5.1
161.04817	39.3
161.09645	2.1
163.11194	1.5
169.00166	22.1
171.11601	1.6
172.12431	1.1
173.09637	3.7
173.13173	2.0
175.11092	4.3
177.04291	1.8
179.05856	26.8
182.10974	1.2
187.14806	5.0
191.14294	1.1
192.01645	1.1
192.03246	1.0
193.03658	1.0
203.14209	1.1
205.03745	1.9
205.12222	1.1
205.15881	5.4
215.14226	4.5
219.05437	1.6
223.04822	4.6
233.15309	9.3
236.07703	1.1
237.06340	2.2
241.46901	1.2
245.03307	1.0
246.37369	0.9
248.61900	0.9
251.16364	7.1
263.04306	20.2
269.17355	3.9
273.63031	1.0
281.05371	15.4
286.06113	1.4
303.13873	1.2
304.14175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	9alpha-Hydroxyisopimara-8(14),15-dien-7-one
Peak:m/z	Relative Intensity
53.03938	3.2
55.05510	6.5
55.05721	0.7
57.07064	2.9
65.03922	1.3
67.05499	65.0
68.05851	0.7
69.03426	0.9
69.07053	5.0
76.41934	0.9
79.05480	31.4
81.07046	62.2
83.04966	0.8
83.62382	0.7
91.05474	16.9
92.09198	0.8
93.07030	100.0
95.04944	8.3
95.08603	5.4
97.06508	1.0
105.04574	0.9
105.06987	7.1
107.08591	53.0
109.06506	3.4
109.10155	1.2
119.08555	3.8
120.11818	0.9
121.10125	3.6
123.11699	55.2
130.07750	0.8
133.10117	1.8
135.11682	23.5
143.08513	2.6
149.13213	1.0
151.11163	2.6
157.10110	1.4
173.13383	1.0
199.14932	0.9
240.65013	1.0
303.23087	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	303.2317
Annotation	9alpha-Hydroxyisopimara-8(14),15-dien-7-one
Peak:m/z	Relative Intensity
51.02348	1.3
53.03927	5.6
55.05495	3.4
57.07060	3.2
67.05492	49.7
69.07040	5.7
74.46677	1.3
74.48177	1.5
76.55498	1.2
79.05479	32.9
81.07038	86.9
89.23534	1.4
91.05466	20.5
93.07020	100.0
95.04938	10.5
95.08595	11.6
105.07010	11.1
107.08578	52.3
109.06483	3.0
109.10115	3.1
119.08538	2.9
121.10135	1.4
123.11681	83.1
131.04889	2.0
131.08543	1.8
133.10085	2.7
135.11656	29.0
139.48689	1.6
143.08516	2.0
145.10068	3.1
147.11705	1.8
149.62529	1.4
151.11131	2.4
157.10144	1.8
169.12218	1.8
179.98595	1.6
180.91319	1.7
186.31813	1.3
187.14882	1.6
194.18735	1.4
211.28415	1.5
256.48935	1.4
303.23108	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	303.2315
Annotation	9alpha-Hydroxyisopimara-8(14),15-dien-7-one
Peak:m/z	Relative Intensity
53.03932	3.7
55.05504	5.8
57.07073	6.5
63.51760	0.6
64.33590	0.6
65.03923	1.1
67.05141	1.4
67.05489	30.5
68.53728	0.5
69.07059	5.2
77.03922	0.7
79.05474	32.0
79.74720	0.6
81.07037	72.5
83.08618	1.0
85.10229	0.6
90.05991	0.6
91.05464	20.0
93.07021	89.3
95.04919	5.5
95.08593	11.8
96.00356	0.6
104.04743	0.7
105.04492	1.4
105.07021	8.2
107.08572	48.4
108.17347	0.6
109.06481	3.4
109.10141	4.0
119.08544	4.7
121.06406	0.8
121.10119	5.6
123.11682	100.0
131.08592	1.2
133.10103	1.4
135.08073	0.9
135.11662	21.9
143.08531	0.9
145.10100	2.5
147.11652	0.7
149.09625	1.0
149.13268	2.9
149.69286	0.7
151.11162	3.6
157.10042	1.0
159.11661	1.1
167.06985	0.9
175.14874	0.8
189.12584	0.7
213.16281	1.1
225.16290	0.8
230.37436	0.7
285.22089	2.7
303.23279	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	303.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81596	1.1
55.05497	4.1
57.07057	3.7
65.03914	1.7
67.05492	67.7
67.71472	1.0
69.07042	5.3
69.92643	0.8
79.05051	1.8
79.05477	32.0
80.06937	1.0
81.03418	1.2
81.07040	63.0
91.05457	16.0
91.61647	0.8
93.07026	100.0
93.96936	0.9
95.04955	8.2
95.08595	7.8
99.04357	1.0
99.74306	1.0
104.41972	1.0
105.07030	8.7
105.12370	1.0
107.08582	43.6
109.06525	1.9
109.10140	5.2
119.08566	5.6
121.10124	4.3
123.11686	50.2
131.08534	2.0
133.10153	5.1
135.11684	23.8
143.08488	1.0
145.10117	5.8
151.11147	1.0
155.08563	1.3
159.11661	1.2
187.14803	5.4
303.23108	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71478	0.3
53.03932	0.8
55.01863	1.7
55.05511	0.7
57.07063	0.4
57.18185	0.4
63.59064	0.4
65.03915	3.3
67.05502	4.0
69.03417	2.7
69.07051	0.8
71.04971	2.5
79.05474	11.1
80.21349	0.4
81.03432	0.5
81.07043	4.1
82.70071	0.4
83.81709	0.4
84.18781	0.4
91.04895	0.6
91.05462	13.9
93.03388	10.0
93.07027	27.4
95.04948	13.2
95.08592	8.2
103.05449	0.7
105.07018	23.2
107.04952	3.6
107.08578	4.9
109.06499	3.5
109.10153	3.3
111.08052	0.5
116.06187	1.6
119.08532	3.4
121.06479	3.7
121.10118	16.3
123.08077	0.8
123.11710	0.6
129.06987	2.2
131.04884	0.6
131.08548	23.7
133.10149	0.6
135.11702	0.8
137.09604	9.1
147.11711	0.7
149.09602	100.0
152.73608	0.4
165.09048	1.0
167.10626	3.1
303.19574	7.4
303.22806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.49359	1.7
53.58115	1.6
55.01879	2.2
55.05506	24.0
56.96545	2.5
57.06773	1.5
57.07060	13.1
59.04988	3.5
67.05495	27.1
69.03421	2.5
69.07057	35.3
70.37350	2.0
71.04982	8.3
79.05481	23.9
81.07040	38.9
83.04968	39.1
83.08606	16.9
85.06478	2.3
91.05464	27.6
93.07029	41.1
95.04935	9.8
95.08591	41.9
97.06519	4.2
99.08045	2.7
103.05429	4.4
105.07018	100.0
107.04874	2.3
107.08585	50.5
109.06499	8.4
109.10136	24.8
111.08094	3.6
112.58228	2.0
117.06972	9.1
119.08575	39.0
119.24445	2.3
121.06458	5.0
121.10119	29.8
123.08038	11.0
123.11691	14.3
125.09663	2.5
129.06972	8.2
131.04939	5.0
131.08543	28.8
133.10114	30.5
135.08009	3.6
135.11676	11.9
137.09615	3.6
143.08507	17.6
145.10103	30.3
147.08060	5.0
147.11687	25.8
149.09561	7.0
149.13260	12.7
151.11189	4.9
155.08531	10.1
156.09332	2.9
157.10088	13.7
159.08025	10.9
159.11664	19.3
161.09566	4.4
161.13225	19.4
163.11116	3.1
163.14806	15.6
165.12843	2.6
171.11676	10.7
173.09688	5.3
173.13229	18.4
175.14792	32.5
177.16284	3.0
183.11647	2.9
185.13269	5.1
187.14801	25.8
189.12704	4.8
189.16321	16.5
197.13277	9.9
199.14757	8.5
201.16373	24.1
203.14368	5.1
211.14832	2.1
213.16379	2.8
215.14279	10.6
215.17905	2.5
217.15738	3.4
219.17444	9.2
221.15356	2.2
225.16301	3.8
227.17850	2.3
229.15871	10.4
241.03459	2.2
241.19464	2.6
257.22672	15.5
261.18311	3.6
267.20981	9.6
275.19925	2.6
285.22058	37.0
303.04880	2.5
303.19568	6.6
303.23080	63.3
303.30725	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	303.2317
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
53.03943	4.5
55.01846	5.3
55.05510	21.3
57.07058	6.1
58.18823	2.2
59.04984	28.6
59.36807	2.1
66.76077	2.5
67.05187	3.1
67.05495	44.7
69.03416	5.8
69.06725	2.6
69.07059	52.8
69.51886	2.4
71.04986	4.2
74.79607	2.4
79.05482	34.4
81.07041	100.0
83.04968	6.1
83.08591	10.8
85.06523	3.0
87.84114	2.5
91.05458	39.4
93.07027	82.2
95.04962	24.9
95.08590	68.1
97.06490	4.0
103.05445	12.2
105.07007	47.6
107.04950	29.7
107.08583	58.5
109.06474	11.3
109.10143	36.3
111.08054	5.8
117.06993	14.5
119.08554	44.1
121.06475	47.8
121.10122	32.5
123.08041	16.9
123.11687	26.5
128.06206	3.5
129.07010	4.8
131.04910	19.6
131.08594	29.3
133.06473	3.1
133.10103	37.7
135.08032	17.8
135.11655	19.8
137.09586	16.0
137.13205	8.8
139.07565	6.0
142.07762	5.0
143.08568	19.8
145.06468	3.5
145.10107	39.0
147.08040	12.1
147.11642	22.3
149.09604	10.4
149.13206	13.6
151.11162	12.2
155.08478	4.9
156.09314	10.1
157.10098	16.1
159.11676	15.8
161.09569	12.8
161.13210	15.3
163.11154	2.9
163.14725	3.8
169.10121	4.2
171.11652	15.7
173.13205	14.6
175.11086	5.8
175.14793	10.8
177.12837	2.6
179.10634	13.0
183.11684	5.4
185.13155	11.3
187.14787	15.0
189.12700	5.0
197.13184	4.4
198.60725	2.7
199.14755	17.0
201.16336	5.1
203.14223	4.9
211.14850	6.2
215.14275	4.9
220.63429	2.6
227.17934	6.0
229.15778	3.5
245.18967	77.0
257.22501	3.9
264.31927	2.5
267.21085	3.5
269.22623	31.8
274.75064	2.7
285.22064	20.6
303.04794	4.2
303.19635	6.5
303.23123	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	303.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41650	0.3
53.03926	0.3
55.01850	0.5
55.05515	3.3
55.70337	0.3
56.96555	0.3
57.07068	0.6
57.53738	0.3
59.04993	2.8
62.66685	0.3
65.03918	0.5
67.05498	10.5
69.03406	0.7
69.07065	2.6
69.68360	0.3
70.07390	0.4
71.04985	3.9
72.05296	0.6
75.25356	0.3
77.03922	0.4
79.05478	4.8
79.61737	0.2
81.03390	0.4
81.07047	6.9
83.04947	1.6
83.08583	0.7
85.06528	0.5
85.64371	0.3
91.05466	7.8
93.07028	7.8
95.04938	4.2
95.08591	11.4
97.06528	0.4
99.04447	2.9
100.04771	0.6
102.04607	0.3
103.05455	48.5
105.07024	4.0
107.04925	0.4
107.08573	2.8
108.08892	0.3
108.87726	0.3
109.06525	1.6
109.10145	6.4
117.07006	2.0
119.08580	8.2
121.06479	0.4
121.10102	0.7
123.08095	0.5
123.11709	0.5
127.07578	0.3
128.06314	0.4
129.06947	1.3
131.04910	100.0
131.08560	1.2
133.10138	2.2
135.11674	0.6
137.09602	4.9
142.07718	0.3
143.08530	0.7
145.06488	0.4
145.10115	0.7
147.08041	0.4
147.11693	0.7
149.09636	0.5
151.11168	0.4
155.10596	0.5
159.11636	1.2
161.09531	0.5
162.09993	0.4
221.74393	0.3
285.14841	2.6
285.18039	0.4
303.05011	0.8
303.19345	0.6
303.22842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15333	0.6
51.34026	0.7
52.03089	0.7
53.03921	1.3
55.01866	3.3
55.05508	17.4
57.03431	8.1
57.07065	9.3
57.27225	0.6
59.04984	6.9
61.02908	4.5
65.03925	0.8
67.05499	16.5
69.03419	20.1
69.07055	7.8
71.01355	1.6
71.04985	5.9
73.02900	1.5
78.73415	0.6
79.05472	15.6
81.03407	8.1
81.07040	100.0
83.04974	10.2
83.08591	7.1
84.30865	0.7
85.02891	63.0
85.06535	5.8
87.04434	0.8
91.05451	9.6
93.07034	14.7
95.04947	8.8
95.08582	18.7
96.59817	0.8
97.02867	15.0
97.06509	4.4
97.10135	3.3
98.97595	0.9
99.04443	3.7
100.39148	0.7
101.02374	0.7
103.03931	1.0
105.07005	10.6
106.01987	0.8
107.04933	2.9
107.08572	9.4
109.02872	6.7
109.06506	4.1
109.10138	4.6
111.04439	1.5
111.08058	0.9
113.09635	0.8
117.07003	4.8
119.04895	0.9
119.08574	5.0
121.06510	2.9
121.10136	6.0
121.70747	0.8
123.04467	0.9
123.08051	4.5
123.11685	64.2
125.06001	1.3
125.09620	6.2
127.03883	6.9
128.06209	0.8
129.07053	0.9
131.08528	5.3
133.10117	4.9
135.08032	3.1
135.11650	5.6
137.05975	11.6
139.11188	0.8
141.12721	3.2
143.08580	1.9
143.32561	0.7
145.04958	3.0
145.06548	0.9
145.10110	4.6
147.08055	1.6
147.11690	1.3
149.09619	3.8
151.11201	1.2
153.12689	1.0
157.10059	1.1
159.11722	1.2
161.09657	1.3
163.05975	1.0
165.09084	1.3
171.11667	1.1
173.56175	0.8
185.13254	1.9
189.12703	0.9
191.10760	1.0
205.42056	0.8
207.13843	1.7
213.12814	0.9
218.32433	0.8
225.14867	1.3
231.13847	1.5
249.14825	1.5
267.15884	3.3
285.17032	1.1
300.71344	0.8
303.18011	1.2
320.66153	0.9
325.42044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15333	0.6
51.34026	0.7
52.03089	0.7
53.03921	1.3
55.01866	3.3
55.05508	17.4
57.03431	8.1
57.07065	9.3
57.27225	0.6
59.04984	6.9
61.02908	4.5
65.03925	0.8
67.05499	16.5
69.03419	20.1
69.07055	7.8
71.01355	1.6
71.04985	5.9
73.02900	1.5
78.73415	0.6
79.05472	15.6
81.03407	8.1
81.07040	100.0
83.04974	10.2
83.08591	7.1
84.30865	0.7
85.02891	63.0
85.06535	5.8
87.04434	0.8
91.05451	9.6
93.07034	14.7
95.04947	8.8
95.08582	18.7
96.59817	0.8
97.02867	15.0
97.06509	4.4
97.10135	3.3
98.97595	0.9
99.04443	3.7
100.39148	0.7
101.02374	0.7
103.03931	1.0
105.07005	10.6
106.01987	0.8
107.04933	2.9
107.08572	9.4
109.02872	6.7
109.06506	4.1
109.10138	4.6
111.04439	1.5
111.08058	0.9
113.09635	0.8
117.07003	4.8
119.04895	0.9
119.08574	5.0
121.06510	2.9
121.10136	6.0
121.70747	0.8
123.04467	0.9
123.08051	4.5
123.11685	64.2
125.06001	1.3
125.09620	6.2
127.03883	6.9
128.06209	0.8
129.07053	0.9
131.08528	5.3
133.10117	4.9
135.08032	3.1
135.11650	5.6
137.05975	11.6
139.11188	0.8
141.12721	3.2
143.08580	1.9
143.32561	0.7
145.04958	3.0
145.06548	0.9
145.10110	4.6
147.08055	1.6
147.11690	1.3
149.09619	3.8
151.11201	1.2
153.12689	1.0
157.10059	1.1
159.11722	1.2
161.09657	1.3
163.05975	1.0
165.09084	1.3
171.11667	1.1
173.56175	0.8
185.13254	1.9
189.12703	0.9
191.10760	1.0
205.42056	0.8
207.13843	1.7
213.12814	0.9
218.32433	0.8
225.14867	1.3
231.13847	1.5
249.14825	1.5
267.15884	3.3
285.17032	1.1
300.71344	0.8
303.18011	1.2
320.66153	0.9
325.42044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1053
Annotation	Tachioside
Peak:m/z	Relative Intensity
52.42753	1.6
53.03926	2.3
54.34917	1.4
55.01853	3.1
56.88137	1.4
56.96557	6.2
57.03423	3.6
60.46702	1.5
61.02915	12.3
67.05508	1.7
68.42361	1.8
69.03425	17.9
69.07040	1.8
70.06575	2.5
71.01333	3.1
71.04974	2.8
73.02892	2.8
76.80570	1.6
76.83975	1.5
79.05478	2.9
81.03413	16.5
81.07064	1.9
85.02892	55.1
86.09657	1.8
91.05463	3.4
93.07037	2.3
95.04970	3.4
97.02887	14.5
98.97549	2.4
99.04420	2.1
103.03904	2.3
105.07021	2.9
109.02867	100.0
112.07599	2.1
116.98608	2.0
119.04921	3.6
121.06533	2.4
123.04411	45.7
124.07598	11.2
127.03902	8.6
131.08536	2.1
133.02852	9.3
137.05927	3.4
140.07066	3.6
141.05391	71.5
141.07381	1.9
145.04903	2.5
145.10133	1.8
147.04416	12.5
149.05954	1.7
153.05434	3.9
161.05951	2.9
162.03088	5.9
163.03798	1.9
165.05479	7.6
177.05450	29.4
185.04178	8.1
189.05370	6.7
192.04172	2.4
203.05321	2.1
207.06502	7.2
231.06494	2.6
267.08524	3.9
303.05081	2.3
303.10474	51.7
303.13837	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.15909	0.2
53.03946	0.3
55.01846	0.4
55.05510	0.3
59.23161	0.3
65.03906	0.4
67.05490	0.6
68.99780	3.7
71.04984	0.3
79.05456	0.5
81.03390	0.3
81.07030	1.1
83.04944	0.6
91.05434	1.2
93.03374	1.1
93.07015	0.4
95.04958	2.1
95.08546	0.3
97.06508	0.4
105.03361	0.4
105.07048	1.0
107.08606	0.4
109.02876	1.7
109.36301	0.3
111.00793	3.1
115.05507	0.4
117.06968	0.4
119.08611	0.5
121.02856	3.7
121.10043	0.3
123.04388	0.7
127.03873	0.4
131.04915	0.4
133.06480	0.4
135.04384	0.5
135.46606	0.3
137.02324	12.4
137.03378	0.5
145.06480	0.6
149.02335	0.6
153.01810	17.5
155.04866	1.9
159.04407	0.5
161.05962	1.2
163.03830	1.9
165.01816	4.8
166.02576	0.6
173.05957	2.6
179.03455	0.4
183.02864	2.9
183.04401	2.1
187.03854	1.9
191.03319	0.4
191.06955	0.4
193.04936	0.3
195.02878	0.4
201.05431	6.3
205.04895	0.5
208.61635	0.3
211.03899	0.5
217.05052	0.3
219.06491	0.6
228.04088	1.2
229.04939	13.4
247.05952	1.5
257.04395	6.8
274.04733	2.1
285.03876	3.3
303.04944	100.0
303.33661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79633	9.1
53.50810	8.7
54.81932	8.6
57.03411	16.6
59.86174	10.2
61.02911	10.4
69.03399	61.9
69.59990	11.0
70.06589	16.9
71.04957	20.0
71.27432	10.1
81.04521	72.9
82.04868	11.5
85.02882	51.2
95.06076	42.6
96.06868	12.9
97.02821	17.3
99.04411	14.2
103.75748	10.4
105.05474	42.9
116.07011	15.2
122.07117	24.3
123.04410	9.8
123.05497	18.6
123.06415	15.2
125.07084	45.0
139.04976	11.3
140.03371	42.1
140.08121	94.2
141.03781	18.1
141.05499	14.1
141.06587	80.3
141.08511	15.5
171.07617	100.0
175.88818	11.3
268.53384	10.3
278.80624	10.8
302.13385	21.2
303.04913	12.0
303.08359	48.5
303.11227	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	303.041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00839	0.2
56.96548	0.5
73.10548	0.2
86.29782	0.2
92.08573	0.2
98.97569	5.5
99.97892	0.5
101.00834	1.5
116.98596	4.7
117.98904	0.5
119.01900	9.7
120.02017	1.3
134.99641	2.6
135.99962	0.2
137.02954	3.0
138.03021	0.3
153.00826	0.5
158.99844	0.4
177.00919	20.0
178.00989	6.3
182.99815	0.3
193.04106	0.3
195.02002	0.5
201.00928	1.1
217.04062	3.7
218.04102	1.2
219.01974	31.5
220.02081	11.0
221.01836	0.4
225.00873	1.4
226.00809	0.7
243.01921	4.9
244.01999	2.1
256.96259	0.3
261.03000	100.0
262.03137	37.5
263.02899	1.3
277.00931	0.3
279.00577	3.6
280.01025	1.0
284.04599	1.4
285.04846	0.5
302.05603	1.1
303.00671	1.4
303.06143	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03931	0.3
55.01873	0.6
55.40237	0.3
56.96564	0.4
61.02894	0.3
65.03918	0.6
67.01836	0.4
67.05501	0.3
68.99775	3.9
69.03403	1.2
81.03393	1.3
83.04938	0.4
83.17372	0.3
85.02889	0.4
91.05472	0.6
93.03359	1.3
93.07034	0.6
95.04937	1.8
97.02857	0.7
98.97567	0.4
105.06985	0.4
109.02859	1.7
111.00836	2.7
111.04394	0.3
114.36759	0.3
117.07001	0.4
121.02840	3.5
123.04424	1.5
127.03863	0.6
128.06181	0.5
131.04913	0.6
131.08548	0.8
135.04346	0.6
137.01344	0.6
137.02327	13.2
137.03398	0.4
137.05960	2.0
143.04927	0.3
145.02686	0.5
145.06479	0.7
145.10194	0.4
149.02353	1.6
149.09525	0.3
153.01807	17.5
155.04903	1.4
159.04430	0.3
161.05952	1.7
161.09753	0.3
163.03857	1.9
165.01811	5.9
166.02554	0.6
173.05954	2.7
176.83368	0.3
177.05499	0.5
179.03441	0.5
183.02850	2.4
183.04420	1.9
187.03893	1.6
188.13171	0.4
199.93297	0.3
201.05418	7.3
201.07106	0.4
205.04861	0.4
210.07314	0.4
219.02950	0.5
219.06358	1.1
228.04135	1.3
229.04939	15.8
239.03345	0.5
247.06012	1.8
257.04398	7.4
274.04773	2.2
282.09259	1.2
285.03784	3.5
303.04938	100.0
304.05222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23036	0.3
53.37095	0.4
55.01851	0.7
55.05495	0.8
58.06241	0.4
58.48225	0.3
59.04997	0.4
62.92896	0.4
65.03918	0.8
65.16990	0.3
67.01852	0.4
67.05490	2.7
68.99785	4.1
69.03409	0.8
69.07047	1.6
71.04959	0.9
79.05468	2.4
81.03370	1.6
81.07036	2.7
83.04949	1.5
83.08598	0.4
85.06510	0.4
91.05453	2.5
93.03378	1.6
93.07011	3.1
95.04956	3.4
95.08565	0.9
97.02876	0.5
105.03364	0.5
105.06979	2.9
106.07305	0.6
107.04986	0.6
107.08563	2.0
109.02820	1.7
109.06490	0.5
109.10130	0.4
111.00781	2.4
117.06998	1.7
119.08572	2.3
121.02857	2.1
121.06499	0.9
121.10078	1.7
123.04375	0.9
123.08011	0.4
131.08568	0.8
133.10075	1.8
134.10455	0.5
135.04396	0.8
135.08008	0.8
135.11641	0.5
137.02316	12.0
137.03352	0.7
137.05963	3.7
145.06500	1.6
145.10100	1.6
146.10435	0.5
147.11687	0.8
149.02380	0.7
149.09573	0.9
153.01807	16.0
153.09059	0.5
155.04897	1.8
160.56166	0.4
161.05940	0.7
161.09590	0.5
163.03899	2.4
163.11208	0.5
165.01797	5.5
166.02577	0.6
168.79115	0.4
173.05907	3.0
175.07500	0.7
179.10510	0.5
183.02855	2.4
183.04391	2.0
187.03870	0.8
191.14285	0.6
195.02797	0.5
201.05434	8.8
203.14214	0.4
204.43900	0.4
205.04791	0.5
219.06538	0.5
221.15359	0.5
228.04179	0.6
229.04907	13.9
231.13728	0.6
247.05893	0.9
249.14833	1.9
250.15143	0.7
257.04391	7.4
274.04745	0.8
285.03833	3.0
303.04926	100.0
304.05374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3052
Annotation	Sphinganine
Peak:m/z	Relative Intensity
53.13850	0.5
54.75595	0.4
57.06811	0.7
57.07069	11.7
58.06576	1.0
62.06077	0.5
70.06200	0.7
70.06581	17.6
71.08623	5.1
82.80454	0.4
85.10180	1.0
88.07614	23.3
102.09156	6.5
106.08656	10.6
141.96732	0.4
154.30280	0.4
184.53307	0.5
258.27832	0.9
284.29443	8.3
302.30490	100.0
303.30533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.4
60.04456	0.3
61.02887	0.4
69.03399	0.3
71.95248	0.3
74.78516	0.3
78.45572	0.3
78.96440	0.4
88.79193	0.3
98.97560	20.3
99.97890	0.4
100.97117	0.5
101.00865	1.6
103.17764	0.3
116.98592	17.7
118.99047	0.3
119.01897	11.8
120.01935	0.7
121.01662	0.4
131.21138	0.3
134.99640	11.3
137.00148	0.4
137.02928	4.8
142.03517	1.7
153.00746	1.5
158.99907	0.7
160.04523	0.4
166.99156	0.5
175.03061	0.5
177.00917	35.6
178.00963	4.2
179.00639	0.4
187.98030	0.6
195.01982	0.6
201.00806	0.4
202.93417	0.5
209.23578	0.4
214.95604	1.9
217.04070	2.9
218.03709	1.8
219.01953	32.5
220.02058	7.5
220.94522	0.7
221.01724	1.6
223.01535	0.6
225.00905	1.7
227.95544	0.4
229.21487	0.4
232.92982	0.7
232.96568	1.4
238.95430	9.2
238.97690	0.3
243.01866	5.6
254.93375	0.4
255.94812	1.7
256.44922	0.6
256.96576	99.3
257.96646	2.0
258.96481	0.6
260.04578	0.5
261.02991	100.0
261.97354	2.3
262.00116	0.8
262.03104	22.4
263.03424	0.4
264.95398	2.6
265.45474	1.5
265.95303	2.3
272.94214	2.6
274.94272	3.7
274.97601	46.7
275.97913	0.6
276.95346	0.4
277.00797	0.6
277.45874	0.8
277.95660	1.2
278.01044	0.4
279.00595	2.9
279.98187	26.9
280.00806	1.2
284.04572	2.1
285.04752	0.4
290.95456	2.2
292.94986	2.4
297.99167	5.6
302.05713	0.6
302.99915	1.9
303.03580	0.9
303.05869	2.0
304.36948	0.3
306.28867	0.4
314.95804	0.7
315.96103	0.5
316.95840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
55.01861	8.5
55.05506	26.1
56.96568	2.2
57.03411	3.9
57.07055	2.5
59.04991	3.6
65.03932	1.8
67.05497	36.2
69.03420	3.3
69.07060	15.6
69.28529	1.6
71.04979	13.9
76.55719	1.9
79.05476	37.4
80.03954	1.7
81.03406	2.3
81.07043	100.0
82.07816	32.2
82.45782	2.0
83.04945	14.9
83.08616	18.9
85.02898	4.0
85.06528	23.1
91.05466	38.8
92.09016	4.3
93.07035	33.5
95.04935	27.5
95.08587	28.0
97.06512	8.3
99.04444	9.2
103.05514	2.5
105.04610	2.2
105.07021	39.9
107.04984	3.2
107.08581	57.5
109.06506	46.6
109.10140	9.6
110.07268	14.3
111.08040	3.7
117.07001	12.0
119.08574	22.3
121.10163	3.6
123.08071	9.9
124.08824	32.5
125.09619	2.8
127.07508	3.9
129.06961	2.8
131.08553	27.3
133.10124	11.3
135.08003	4.0
137.09544	1.9
141.09082	3.4
142.07715	9.6
143.08543	4.8
144.09373	2.1
145.10138	13.8
147.11630	3.3
149.09581	2.9
157.10115	12.2
159.11694	4.0
173.13197	16.0
173.83244	2.0
175.14763	4.5
189.12700	2.8
216.17320	2.0
217.15866	2.2
219.74280	2.3
249.15097	2.0
251.16331	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	302.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	3.5
53.03945	14.1
55.01868	6.3
55.05511	52.6
57.03430	3.7
57.07056	5.1
59.04970	12.5
61.43029	3.1
62.20770	3.4
64.65403	3.0
65.03916	3.9
67.05490	45.8
67.29132	3.4
69.03419	6.2
69.07053	15.8
71.03353	3.2
71.04987	31.4
74.55379	2.8
77.17292	3.0
79.05473	76.2
81.07039	100.0
81.07481	5.9
83.04970	81.4
83.08614	3.2
84.62030	2.8
85.06547	15.8
91.05471	68.5
93.07024	86.0
95.04967	30.4
95.08588	62.1
97.06503	19.9
99.04436	74.4
101.05991	7.9
105.07006	73.4
107.04973	7.7
107.08578	52.1
109.06520	33.2
109.10169	14.1
111.04428	6.5
115.05423	4.1
117.07023	16.4
119.08573	40.7
121.06493	16.6
121.09361	4.4
121.10126	46.9
123.08048	20.5
123.11670	2.9
125.09594	35.9
128.06230	3.2
129.07022	4.3
130.07748	4.3
131.08536	26.0
133.10117	16.1
135.08052	4.1
135.11713	3.7
137.09547	3.9
139.11172	11.8
143.08549	7.6
144.09369	3.1
145.10150	21.1
147.08035	6.5
147.11671	12.3
149.09621	16.4
159.11647	4.7
161.09641	4.3
161.13187	12.4
167.10675	15.6
171.11526	3.7
173.09639	5.5
231.13930	4.7
276.23743	3.2
285.17349	3.6
319.87604	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	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05506	5.8
56.96550	0.5
57.03425	0.7
57.07056	0.4
59.04991	1.1
60.48333	0.5
61.11687	0.4
67.05486	4.4
69.03380	0.8
69.07064	6.7
71.04977	44.8
71.79095	0.5
79.05476	10.4
81.03403	1.1
81.07040	6.2
83.04961	14.6
83.08598	0.5
85.06489	0.6
87.04446	2.0
91.05475	4.7
93.07024	26.5
95.04922	2.5
95.08578	7.2
99.04433	100.0
101.05981	0.5
103.05420	0.7
105.07014	6.0
107.08569	0.8
109.10162	2.0
110.37143	0.5
111.04420	6.7
119.08549	2.3
121.06516	0.6
121.10117	11.6
123.08055	1.1
125.68371	0.4
129.05434	4.1
133.10120	3.7
145.10117	0.8
207.13892	0.6
251.16373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01859	20.5
55.05511	35.3
57.03431	4.5
57.07074	6.7
67.05481	34.5
69.03395	7.8
69.07053	22.1
71.04963	28.4
79.05475	68.8
79.10340	4.7
81.07047	43.5
83.04977	11.3
83.72359	4.9
85.06522	8.0
89.03663	5.3
91.05477	93.4
93.07024	78.0
95.04934	22.8
95.08607	40.8
97.06507	18.6
99.04430	18.7
103.05443	5.1
105.07026	92.7
107.04964	9.0
107.08591	100.0
109.06502	40.7
109.10137	19.5
111.08051	6.0
115.05429	7.4
117.06992	32.4
119.08562	58.6
121.06487	18.9
121.10112	27.1
123.08037	25.1
128.06186	4.9
129.06952	9.5
131.08574	50.2
133.06461	10.4
133.10091	33.9
135.08035	23.4
137.09586	19.3
142.07693	6.8
143.08545	23.2
145.06477	5.7
145.10136	54.3
147.08018	17.5
147.11700	40.3
149.05966	5.9
149.09589	28.5
151.07535	6.2
153.34804	5.2
155.08484	5.2
156.09288	5.8
157.10139	9.9
158.10834	5.5
159.08034	6.8
159.11662	5.2
161.09618	22.4
161.13243	6.9
163.11174	8.1
165.12701	6.2
171.11670	19.8
173.09558	20.9
173.13228	50.2
175.11150	4.9
177.09090	52.8
179.10612	4.8
189.12613	5.6
191.10667	21.7
191.14296	22.3
192.11423	27.4
215.14278	18.6
233.15282	10.7
238.84908	4.5
251.16418	31.4
315.17365	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	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01861	6.3
55.05506	24.2
56.96551	3.4
57.03420	3.7
59.04983	15.2
60.17404	2.4
67.05507	38.7
69.03421	14.2
69.07052	17.1
71.04971	44.7
78.93076	2.8
79.05476	49.6
81.06595	5.6
81.07038	100.0
83.04958	29.4
83.08586	5.6
85.00029	2.7
85.02901	3.4
85.06531	17.8
87.04450	4.1
91.05457	53.3
93.07022	54.9
95.04946	33.8
95.08578	42.8
97.06501	20.4
99.04412	14.3
99.08071	6.5
103.05453	4.1
105.07020	69.3
107.08561	46.1
109.06503	35.1
109.10136	17.2
110.07292	19.1
111.04430	3.9
111.08093	6.0
115.05447	3.8
115.07545	7.0
117.07027	16.9
119.08560	45.3
121.06490	18.2
121.10134	20.2
123.04392	5.2
123.08060	12.4
123.11688	4.9
124.08887	3.2
125.09637	11.2
129.06985	12.1
130.07802	3.9
131.08531	17.9
133.06551	4.1
133.10115	23.1
135.08041	20.6
135.11652	4.7
137.05971	7.1
137.09572	6.3
142.07825	4.7
142.17853	3.0
143.08548	12.4
145.10110	20.6
147.08008	4.4
147.11690	11.7
149.09624	3.9
151.07530	12.9
151.11093	3.8
156.09268	4.4
157.10112	5.8
159.11710	6.2
161.09589	13.6
161.13271	4.5
163.11177	6.2
165.09036	6.0
167.10678	3.6
173.09657	3.7
175.11151	2.8
175.14821	5.9
179.10699	7.0
189.12631	5.3
191.10788	3.1
207.13785	4.5
221.15303	4.6
249.14807	10.8
267.15915	15.9
285.16855	3.4
302.19482	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	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
54.47690	1.8
55.01870	8.2
55.05508	37.4
55.90621	1.7
58.48706	1.6
59.05005	13.0
67.05502	32.6
67.08479	1.9
69.03436	7.2
69.07053	4.4
71.04985	16.7
76.65972	1.8
79.05485	49.1
81.03402	1.8
81.07045	54.7
83.04974	58.0
85.06535	4.4
91.05470	48.0
93.07031	49.9
95.04956	18.7
95.08596	29.8
97.06520	7.7
99.04452	10.2
101.06003	4.2
103.05463	2.3
105.07024	61.7
107.04972	2.9
107.08590	100.0
107.09301	4.2
107.31458	2.1
109.06512	28.3
109.10149	9.2
111.04422	8.8
117.07018	12.7
119.06062	3.0
119.08575	26.2
121.06496	10.0
121.10139	38.6
123.08023	21.5
123.11692	4.4
125.05957	2.8
125.09646	9.1
128.06197	2.7
129.06949	4.4
130.07780	3.7
131.08582	20.1
133.06497	5.0
133.10130	15.9
135.08060	9.2
135.11754	2.9
137.06027	3.0
137.46320	2.1
143.08569	12.4
145.10130	21.7
147.08075	4.7
149.09660	12.1
151.07558	3.1
153.09096	3.6
156.09372	3.2
159.11713	2.7
161.09688	3.9
161.13225	3.5
163.11166	2.7
167.10649	2.6
171.11700	3.3
173.09563	4.8
179.10745	2.8
189.12738	3.5
191.10715	3.3
207.13809	2.7
231.13835	3.0
267.15775	2.5
270.97586	2.1
301.03799	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	302.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	18.0
53.11860	2.2
53.32378	2.1
54.82013	2.7
55.01859	15.5
55.05510	40.2
57.03436	6.1
57.07061	2.4
59.04988	12.0
65.03927	4.5
67.05495	46.2
69.03422	15.3
69.07049	29.4
71.04978	58.6
76.56556	2.8
79.05478	53.6
81.07037	65.6
83.04959	26.7
85.02892	53.2
85.06518	5.6
91.05462	100.0
93.07022	80.8
95.04940	74.2
95.08559	19.7
97.06506	42.7
99.04455	14.7
105.04501	6.0
105.07016	34.0
107.08576	27.4
109.06486	20.5
109.10141	3.9
111.04436	3.5
111.08103	12.6
117.06976	4.7
119.08536	23.6
121.06509	5.6
121.10137	11.8
123.04388	3.3
123.08095	4.4
123.11697	3.2
125.05979	3.2
131.08554	15.6
133.10130	15.4
135.08028	5.9
139.07533	18.0
147.11644	3.6
154.36931	2.5
159.11676	2.9
189.07550	3.4
197.10165	3.1
281.75269	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37355	2.9
52.81729	2.9
53.00299	2.9
53.03935	22.0
55.01857	19.0
55.05508	50.3
57.03426	4.3
57.07058	3.3
57.35339	2.8
57.54065	3.0
59.04990	33.5
65.03922	5.4
65.28703	3.2
67.05494	64.2
69.03419	19.5
69.07052	21.8
71.04974	65.8
73.02914	4.3
77.03923	4.7
79.05473	60.1
81.03414	6.6
81.07041	100.0
83.04961	37.2
85.02893	47.8
85.06530	4.9
91.05458	87.4
93.07020	80.3
95.04947	69.7
95.08585	39.9
96.16228	3.7
97.05943	3.8
97.06490	30.2
99.04456	25.3
99.72122	2.9
101.15716	3.1
105.04458	6.2
105.07005	52.1
107.04940	4.5
107.08573	34.8
109.06525	26.7
109.10129	19.4
111.04447	4.8
111.08079	13.4
115.05395	4.0
117.07005	16.1
119.08562	25.4
121.06489	6.3
121.10134	6.7
123.08038	5.5
125.09614	4.4
128.06142	4.4
129.07016	7.5
131.08571	13.9
133.06567	3.1
133.10121	6.4
135.08031	13.4
137.05949	4.2
137.09618	3.9
139.07556	6.6
141.94579	3.1
143.08569	4.0
145.10094	14.3
149.09596	5.1
157.10141	5.4
159.11684	4.8
161.09515	3.3
161.13243	3.1
163.11230	4.6
165.09074	5.7
173.09660	5.4
185.32323	3.0
191.10641	4.2
203.14305	3.5
267.15872	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	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12808	0.4
53.03939	2.0
55.01864	3.0
57.03429	5.6
59.04980	0.5
60.85349	0.4
61.02917	11.5
67.05489	0.7
67.76060	0.5
69.03068	1.0
69.03418	19.3
71.04965	4.0
73.02916	4.3
79.05454	2.2
81.03405	8.9
81.07038	2.5
83.01311	1.0
83.04952	1.0
85.02892	100.0
87.04458	2.5
89.29869	0.5
91.03943	3.9
91.05449	1.0
93.07012	2.3
95.04955	2.2
95.08559	0.8
97.02258	1.0
97.02872	23.3
97.06491	0.9
98.97543	0.8
99.04430	5.2
105.07019	10.7
107.08569	1.9
109.02864	8.3
109.06498	1.0
115.03912	0.7
119.08545	2.5
121.10152	0.7
122.52917	0.6
123.08001	0.8
124.10704	0.5
125.09654	0.5
127.03897	17.0
131.08571	0.6
133.06386	0.6
133.10101	0.9
134.20047	0.5
137.05954	3.2
137.09717	0.6
143.08557	1.0
145.04945	23.8
145.10106	2.1
147.08002	1.3
153.01828	0.7
161.09599	0.7
163.05977	9.0
173.09612	0.6
175.11121	0.5
180.08635	0.9
217.86554	0.5
249.14738	0.7
267.15866	0.6
282.09219	0.7
285.13541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.9
53.03928	1.2
53.55821	0.8
55.01851	1.9
55.05524	1.4
56.05023	1.1
57.03427	4.6
59.04974	1.2
61.02910	5.9
65.03934	2.3
67.05494	57.3
69.03417	30.3
69.07056	16.9
71.04981	2.4
72.08113	1.1
73.02906	2.2
79.05464	1.6
81.03428	7.4
81.07043	4.6
83.04977	1.4
84.04516	1.0
84.08141	1.4
85.02890	46.3
91.05460	2.0
93.07027	3.9
94.06551	4.6
95.04948	83.7
95.08561	1.4
95.61512	1.0
96.08106	1.3
97.02869	37.8
97.06499	2.3
98.97580	1.1
99.04472	1.0
103.03915	4.0
105.07001	6.7
105.70358	1.0
107.08582	1.5
109.02859	12.6
109.06535	1.4
112.07588	59.9
113.05960	8.4
115.69057	1.1
116.98576	1.6
117.07014	4.0
119.08599	4.1
120.08005	1.0
121.06490	2.0
121.10133	1.3
122.06024	4.7
122.06852	1.3
123.04350	1.8
124.07579	4.7
127.03905	6.2
128.06300	1.3
129.06998	2.4
131.08549	2.1
133.10135	2.2
136.07541	1.8
137.05981	1.2
140.07047	100.0
143.08568	6.2
145.04970	2.3
145.06407	1.6
145.10110	5.6
146.88467	1.0
147.08025	1.9
147.11659	1.2
152.06950	1.2
154.08604	7.3
157.10126	1.6
159.11661	2.4
161.09682	3.3
171.11711	2.1
173.09636	2.1
178.08606	2.4
182.08096	45.7
189.09068	1.1
189.12819	1.7
206.08080	12.5
212.37262	1.4
217.76297	1.1
218.08104	2.4
231.13690	2.0
236.09129	1.8
248.09103	4.5
249.14850	5.3
267.12335	1.2
282.47141	1.1
302.12582	4.2
302.19504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.0
84.64946	0.3
92.08706	0.5
98.96928	0.5
98.97569	11.0
101.00857	1.2
108.05307	0.3
116.98606	8.7
119.01898	8.2
134.99644	4.1
137.02937	2.9
156.48621	0.3
158.99811	0.4
177.00926	17.9
193.04109	0.3
195.01912	0.4
197.87221	0.3
201.00964	0.6
206.25676	0.3
209.67067	0.3
217.04066	4.0
218.03609	1.4
219.01979	31.8
225.00890	1.6
242.03563	0.3
243.01895	5.7
254.96474	0.4
260.00134	0.5
260.04639	4.7
261.03018	100.0
262.03076	0.4
277.00665	0.3
278.00955	1.3
279.00604	6.0
284.04532	2.7
296.97711	0.5
302.01608	0.5
302.05664	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	302.087
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
51.76345	0.2
53.00311	0.2
53.03942	0.4
55.01855	0.4
56.96556	0.4
57.03421	1.0
61.02917	2.3
67.05483	0.2
68.05049	0.2
68.88069	0.2
69.03416	4.9
70.06576	0.9
71.04976	0.4
73.02875	0.4
74.19955	0.2
78.03440	0.4
81.03410	1.6
83.04958	0.3
84.04489	0.4
85.02894	9.5
87.04456	1.4
87.70517	0.2
91.03957	0.3
94.06538	0.3
97.02882	3.4
98.97549	1.2
99.04424	0.9
100.07610	0.3
105.05500	0.3
109.02836	0.5
114.36977	0.2
116.98632	0.6
122.02376	0.5
122.05975	0.8
123.06511	0.4
127.03915	1.7
128.98705	0.3
131.06868	0.2
134.06004	0.4
134.99648	0.2
137.06007	0.3
138.05463	0.2
140.03410	100.0
140.07034	2.6
142.08661	2.3
145.04991	0.5
152.07079	1.5
164.07014	0.4
173.01114	0.3
177.00691	0.4
285.92667	0.3
294.47583	0.2
302.08884	2.9
302.12003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
54.82183	1.0
55.01860	4.8
57.03418	7.0
59.10304	1.1
61.02908	7.6
67.05492	10.7
67.21179	1.3
69.03417	20.5
69.07063	5.1
70.06560	1.9
71.04953	1.5
73.02905	4.5
79.05479	11.9
81.03400	10.9
81.07041	16.2
83.04966	1.3
85.02892	93.6
86.09711	1.4
87.04433	1.7
90.78706	1.0
91.05457	7.4
93.07038	4.9
94.06542	2.7
95.04975	9.1
96.04485	2.3
96.42957	1.1
97.02882	54.0
97.06493	2.3
99.04423	4.7
101.14935	1.1
103.03921	8.0
105.07018	9.2
107.07343	1.5
107.08562	2.6
108.08101	28.7
109.02872	11.6
109.06486	2.3
110.06017	2.1
112.07600	1.4
113.05965	1.1
118.06445	1.3
119.08572	5.2
121.06486	1.3
122.06010	13.6
123.04388	1.2
125.05944	13.3
126.05494	13.8
126.09121	7.7
127.03909	12.4
129.06987	2.4
131.08546	6.5
133.06448	1.1
133.10085	1.9
136.07561	41.2
140.07037	43.0
143.08543	6.9
145.04971	8.7
145.10123	6.5
147.07991	1.8
149.09573	1.4
150.09126	12.9
152.07042	33.5
154.08592	12.2
159.11656	1.2
161.09598	5.9
163.05997	4.0
164.07036	43.8
168.07771	1.1
173.09570	1.4
178.08588	31.6
182.08099	100.0
185.13223	2.3
189.12685	1.5
191.10690	1.2
203.14328	2.7
206.08104	43.8
218.08081	2.6
231.13820	2.5
236.09164	2.0
248.09099	9.4
249.14749	1.5
267.12192	1.3
267.15689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.5
55.01859	4.0
55.05498	2.0
55.83799	0.8
57.03423	7.9
61.02917	6.7
64.07629	0.9
64.79842	0.9
65.03944	0.9
67.05495	15.7
69.03418	18.5
69.07043	4.0
69.44419	0.8
70.06573	0.8
71.04986	1.4
72.08132	4.1
73.02882	1.9
79.05474	15.7
81.03405	10.8
81.07043	18.7
83.04961	2.0
85.02892	82.5
86.02434	1.2
86.09679	1.8
87.04442	1.1
91.05471	8.9
93.05763	1.6
93.07043	4.1
94.06564	3.7
95.04952	10.9
95.08581	4.0
96.04482	1.4
97.02872	53.4
97.06515	4.2
98.09693	1.3
99.04439	4.4
103.03905	6.2
105.06996	9.7
107.04969	1.4
107.07325	1.2
107.08576	4.4
108.08111	25.5
109.02864	14.1
109.06493	2.0
110.06025	1.6
112.07579	1.3
117.06980	1.9
118.00252	1.0
119.08552	4.4
121.06488	2.2
122.06028	11.7
122.09704	1.0
123.08025	1.5
125.05966	14.7
126.05492	13.1
126.09108	9.5
127.03886	13.7
129.06934	1.6
131.08517	4.0
133.06519	1.0
133.10086	3.9
136.07553	37.8
140.05974	1.8
140.07045	40.4
143.08540	3.8
143.11743	1.6
145.04948	7.4
145.10124	4.8
147.04402	2.0
147.08025	4.3
147.11664	1.2
150.09097	8.9
152.07040	29.2
154.08604	12.4
156.09322	1.2
157.10103	2.3
159.11732	5.5
161.09599	2.2
163.06035	2.3
164.07034	40.4
167.07042	0.9
173.09631	1.3
173.13210	2.0
175.11154	2.1
178.08601	29.6
182.08095	100.0
185.13202	1.9
189.09131	1.4
191.10619	1.3
202.08592	2.2
206.08089	41.0
218.08124	5.8
224.80391	1.0
231.13748	2.0
236.09077	1.6
248.09065	8.7
249.14793	3.8
267.12341	1.7
267.15744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.00300	2.2
53.03946	3.9
53.19284	1.6
55.01859	2.1
55.05510	19.9
56.96548	10.5
57.07059	11.3
59.04993	2.4
67.05489	34.6
69.03410	9.8
69.07059	24.0
71.04968	13.6
71.08624	2.8
76.56493	2.2
78.71272	1.9
79.05477	38.1
81.07040	56.9
83.04954	9.9
83.08595	2.3
85.06532	3.6
91.05458	61.4
91.06017	3.8
93.06413	2.2
93.07021	67.6
95.04956	22.5
95.08598	42.0
96.94476	2.0
97.06498	7.6
99.04460	2.3
103.05424	4.5
105.07018	100.0
107.04975	2.7
107.08580	72.2
108.05762	2.3
109.06494	37.8
109.10140	33.8
110.74065	1.9
115.05423	4.3
116.06212	2.0
116.76257	2.0
117.07011	29.8
119.08566	82.8
121.06490	12.4
121.10120	32.1
122.58157	2.5
123.08025	8.8
123.11661	3.6
128.06186	4.2
129.06995	18.3
130.07765	11.2
131.04909	8.3
131.08548	70.8
133.10098	62.3
135.08012	33.3
135.11670	10.5
137.09529	7.5
141.06982	2.4
142.07762	13.1
143.08557	26.1
144.09343	10.1
145.06467	2.3
145.10115	73.1
146.07231	9.4
147.08051	3.2
147.11705	18.7
149.09604	4.7
149.13249	3.7
151.11180	3.1
155.08539	9.0
156.09335	3.3
157.10132	18.0
158.10904	19.9
159.07893	3.2
159.11652	22.2
161.00943	2.2
161.09587	41.0
161.13202	8.3
165.06918	2.7
166.07787	2.5
169.10008	2.6
170.10857	3.5
171.11662	12.2
173.13222	72.5
175.14856	8.1
179.08521	3.8
179.10617	9.6
180.09428	2.2
183.11705	8.9
184.12494	3.0
185.13258	11.3
187.14777	4.2
189.12785	2.7
191.14270	14.2
194.11005	2.3
195.11687	4.5
199.14857	10.0
201.16252	3.4
203.14226	2.2
209.13263	8.6
223.14864	3.1
225.16074	2.8
244.81171	2.2
260.17126	2.1
265.19482	4.3
283.20563	2.5
301.17676	16.7
301.21481	10.8
301.24619	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	301.216
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.00293	1.8
53.03949	2.6
55.01851	2.1
55.05494	3.5
56.29917	1.5
57.07068	1.9
67.05488	9.2
69.07037	6.6
71.04974	17.6
79.05471	70.6
81.07040	13.2
91.04883	2.7
91.05457	67.6
91.06008	3.6
92.09358	3.7
93.07021	100.0
95.04933	11.9
95.08586	9.7
103.05412	1.7
104.06237	2.1
105.07008	27.7
107.08569	60.9
109.06511	4.1
109.10156	3.7
117.06998	22.6
119.08555	53.8
121.06480	4.3
121.10117	11.4
121.62220	1.9
123.08039	30.0
128.06194	1.6
129.06969	10.1
131.08537	3.3
133.10100	29.4
135.11674	56.7
136.68863	1.9
137.09583	2.5
143.08546	3.2
145.10069	6.9
147.08026	93.4
149.09558	6.4
157.10028	2.5
159.11684	3.1
165.09074	84.2
167.10670	4.0
169.10240	2.1
171.11519	2.2
173.13251	2.2
181.10135	2.4
197.13077	3.7
199.11140	3.0
213.16245	3.1
223.14853	2.0
229.15823	3.1
231.17400	26.5
241.15935	2.0
258.16177	2.1
265.19525	3.8
283.20505	18.2
301.21576	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	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.00308	2.9
53.03948	1.6
54.81613	1.6
55.05512	6.2
59.69534	1.4
63.95672	1.4
67.05502	7.6
69.03430	3.6
69.07063	5.7
71.04990	14.4
79.05482	61.5
81.07047	9.8
88.11257	1.3
91.05471	84.4
93.07030	95.7
95.04963	8.3
95.08604	7.0
103.08002	1.5
104.06237	1.9
105.07030	26.5
107.08596	60.0
109.06520	9.3
109.10159	8.9
109.80932	1.3
110.97984	1.4
114.66629	1.4
117.07006	27.2
119.08568	59.5
120.70937	1.7
121.06493	2.4
121.10160	10.8
123.08068	30.7
125.76999	1.7
128.06206	1.8
129.06993	7.2
131.08562	7.0
133.10104	19.0
135.11676	45.5
137.09607	6.1
141.06956	2.4
143.08569	3.4
145.10112	3.3
147.06877	3.6
147.08046	100.0
147.11562	1.6
149.09650	3.4
149.45387	1.7
157.10164	1.9
161.09619	1.9
161.13272	1.7
163.11160	2.2
165.09097	88.3
167.10686	6.0
171.11655	2.9
173.13136	2.6
175.11256	2.2
181.10080	2.6
197.13264	1.9
207.29980	1.7
213.16429	2.3
225.16298	2.2
229.15863	3.0
231.17444	27.3
234.68956	1.6
241.16068	2.4
242.18149	1.4
281.72232	1.7
283.20563	19.9
301.21616	33.0
321.86292	1.8
322.33197	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.04159	0.3
55.05500	2.3
57.07064	0.4
59.04982	0.4
67.05495	2.4
69.07049	2.6
71.04980	6.3
73.06538	1.9
77.03896	0.5
79.05479	10.3
81.07042	26.3
83.08639	0.5
91.05466	5.6
93.07029	18.7
95.04949	3.4
95.08583	3.2
96.40080	0.3
97.06513	0.7
103.05456	46.5
105.04494	0.6
105.07004	1.9
105.62859	0.3
107.08585	16.0
109.06503	0.8
109.10139	2.1
119.06071	0.3
119.08566	1.4
131.04912	100.0
135.11667	10.6
135.38019	0.4
149.05933	0.3
153.12755	8.8
259.16626	2.1
260.17004	6.1
283.16876	2.6
301.18109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
50.59002	1.8
53.00297	1.9
53.03949	3.5
55.05508	4.6
67.05487	10.8
69.07052	4.7
71.04976	11.1
78.12627	2.1
79.05481	51.1
81.07043	13.6
91.05464	72.3
91.06005	3.8
93.07026	100.0
95.04964	9.4
95.08589	9.5
101.77528	2.0
102.65272	2.4
103.05437	4.2
105.07031	26.3
107.08580	49.1
109.06517	8.5
109.10152	5.1
117.06986	19.9
119.08559	51.2
121.10133	11.4
123.08012	23.9
123.11720	2.6
128.06204	2.2
129.07018	9.4
131.08569	4.5
133.10110	22.5
135.08113	2.8
135.11659	44.5
137.09628	3.9
143.08595	3.6
145.10110	5.3
147.08037	70.7
147.11769	3.9
149.09642	3.0
150.04251	2.2
157.10233	3.0
159.11685	2.4
161.09599	3.1
163.11145	3.1
165.09082	63.2
167.10674	3.5
171.11674	4.6
181.10141	2.3
225.16451	3.5
229.15858	2.7
231.17395	25.1
279.52380	2.2
283.20477	16.6
301.21585	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	301.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01857	0.8
55.05485	0.9
57.03432	8.9
57.07063	1.4
58.07384	0.6
59.04984	2.4
61.02910	6.8
66.88085	0.4
67.05481	3.0
68.05821	1.1
69.03418	11.1
70.06555	0.9
71.04972	3.1
73.02889	1.5
73.84828	0.5
78.03437	0.9
81.03389	4.8
85.02892	24.6
85.06532	24.9
86.06849	7.4
87.04449	1.0
93.07007	1.0
97.02865	9.1
99.04430	1.5
101.05959	0.9
103.07555	9.0
104.07893	3.5
109.02856	3.5
109.21819	0.6
120.08067	1.0
121.06490	9.6
121.08511	4.9
122.02361	13.7
122.06822	6.0
122.08910	0.8
127.03858	4.6
138.09119	2.3
139.05006	98.5
139.09470	1.3
140.03406	100.0
145.04984	1.2
252.48502	0.6
255.68068	0.6
265.77905	0.6
270.66306	0.6
301.10468	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	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01850	1.7
56.96556	2.5
58.67519	1.4
60.52874	1.5
65.82984	1.3
67.05482	6.5
69.03417	2.0
71.04946	1.3
71.56578	1.3
73.52550	1.5
75.31369	1.4
77.95408	1.6
78.33551	1.7
79.05463	7.8
81.07021	9.3
83.04934	1.7
85.02876	3.2
87.04386	1.3
89.21883	1.5
91.05454	9.5
93.07019	9.3
95.04958	2.3
98.97585	3.2
105.07019	14.9
107.04929	1.6
107.08568	7.2
109.06491	2.3
109.10136	1.7
111.04411	2.4
115.90028	2.3
116.98580	2.7
119.08573	2.7
121.06457	2.7
121.07597	2.0
121.10127	1.8
123.08058	1.6
131.08545	5.8
133.10129	23.3
141.28732	1.4
143.08647	1.7
145.10135	1.5
150.96860	3.4
151.11137	2.9
158.11774	1.7
159.08061	1.7
159.11783	2.1
177.08978	1.7
215.05745	1.9
265.05283	2.2
298.27835	1.6
301.12518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1272
Annotation	Salidroside
Peak:m/z	Relative Intensity
51.67142	1.2
53.03936	1.3
54.40485	1.1
54.81774	1.3
55.01850	7.6
57.03415	9.6
59.04969	1.6
61.02644	1.4
61.02918	16.9
67.05505	1.4
69.03416	21.1
71.01337	2.3
71.04964	1.8
73.02892	6.8
79.05425	1.4
81.03389	12.0
81.07027	5.6
83.01328	5.5
85.02888	100.0
87.04425	2.0
91.03883	5.1
91.05466	14.7
92.64103	1.7
93.07023	12.2
95.04928	7.9
97.02849	23.1
99.04464	1.9
102.44765	1.5
103.03893	3.2
103.05433	6.3
105.07030	2.5
107.08546	1.7
109.02821	6.1
109.06530	2.9
115.05470	6.1
117.06985	12.0
119.08562	2.3
121.02904	1.8
121.06480	76.3
127.03899	14.8
128.06226	8.2
129.06982	7.4
131.04881	3.1
131.08521	15.8
133.06465	5.7
133.10025	2.2
135.08072	5.4
139.03893	3.6
141.06972	14.4
143.08536	6.4
144.05687	8.1
145.04913	11.6
145.06480	10.6
145.10114	2.8
150.96844	2.3
151.07497	3.1
155.08458	2.5
157.06490	12.0
158.07196	6.2
159.08003	20.7
159.11713	2.0
161.09508	1.6
163.07410	5.1
167.06989	8.3
169.06439	6.7
171.07922	3.5
175.07500	24.9
177.09050	2.0
183.08026	6.2
185.06021	7.0
187.07500	39.4
189.09027	12.0
191.10661	2.0
201.09045	7.6
205.08609	13.5
217.08611	7.1
229.08527	7.4
235.09621	2.1
247.09557	12.3
283.11740	2.5
301.12524	90.1
309.04608	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0918
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.86449	0.4
51.89116	0.4
53.03944	4.1
55.05499	0.4
55.93517	0.8
56.96555	2.5
57.03431	2.1
57.07057	1.2
61.02914	2.5
64.97228	0.4
67.05494	1.1
67.11640	0.5
69.03417	5.3
72.93793	0.6
73.02893	1.0
79.05494	0.7
81.03403	3.0
81.07037	0.8
83.04984	0.9
84.55679	0.5
85.02895	13.9
85.06515	0.7
87.68803	0.5
90.94810	1.0
91.05469	2.4
93.07008	2.1
95.04951	78.5
97.02887	3.7
97.06532	0.6
98.97553	0.9
99.04433	0.7
103.08389	0.6
105.04503	1.2
105.07034	0.9
107.08600	0.6
108.95885	0.8
109.02868	0.5
111.04433	1.2
113.96421	0.9
116.98593	0.9
121.02847	46.0
121.06466	1.1
122.03268	0.6
127.03938	2.2
130.06599	0.6
131.08585	1.2
134.99677	0.8
139.03888	100.0
141.06912	0.6
145.04965	2.4
161.09499	0.8
187.07529	0.6
211.02617	0.6
235.02582	1.0
251.48253	0.6
258.04437	0.8
283.74561	0.5
301.09445	1.2
301.12573	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	301.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.4
57.03423	0.8
57.07079	3.0
57.11440	0.3
58.07420	0.4
59.04990	0.6
61.02912	2.3
67.05484	3.5
68.05820	0.4
69.03413	1.8
70.06561	0.8
71.04990	0.4
72.41125	0.3
73.02917	0.5
74.02422	10.4
81.03356	0.5
81.04493	0.6
82.02968	0.5
83.04930	0.3
83.06096	0.4
85.02885	2.7
85.06530	8.7
85.46557	0.4
86.06863	2.0
91.05482	0.4
92.52663	0.3
93.07012	0.4
94.06543	1.5
96.04452	0.4
97.02882	0.4
98.97554	0.6
103.07559	3.7
103.23428	0.3
104.07919	0.4
105.07009	0.5
110.07150	1.5
113.07213	0.3
120.04417	0.3
120.08091	0.6
121.07693	0.4
121.08638	2.7
127.03895	0.3
130.06505	100.0
131.06024	1.6
131.08543	0.4
132.04433	21.1
134.97327	0.5
138.05505	0.5
139.03752	0.4
140.03400	4.4
145.10095	0.4
148.07544	2.4
156.06761	0.6
157.07587	38.4
158.05994	36.0
159.09169	0.6
160.95322	0.6
161.09579	0.4
175.08635	25.9
176.07048	0.4
185.07068	0.6
186.05486	1.7
188.92482	1.9
198.02711	0.4
203.08125	23.8
204.06586	0.6
205.26300	0.3
220.97437	0.6
221.09198	9.8
228.11223	0.4
247.13100	0.4
271.58945	0.3
301.08875	12.5
301.12500	0.7
301.13617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.17065	0.2
53.03934	0.3
55.01862	0.3
55.05500	0.4
57.03408	0.3
59.04983	0.3
67.05479	1.2
68.99764	0.4
69.03398	0.4
69.07039	0.6
71.04952	0.3
76.56243	0.2
79.05453	1.6
81.07037	3.0
83.04948	1.0
91.05460	2.0
93.07045	2.9
95.04943	1.1
95.08560	1.1
97.02807	0.4
97.06493	1.2
97.60517	0.2
99.04413	0.5
103.39444	0.2
103.40147	0.3
105.07005	2.5
107.05005	0.3
107.08575	1.7
109.06493	2.1
109.10150	0.4
111.08019	0.4
117.07001	1.1
119.08583	1.9
121.06459	1.8
121.10070	1.1
123.08057	0.5
124.01533	1.9
125.05988	0.3
129.07008	0.3
131.08543	1.2
133.10052	0.5
134.03604	2.8
135.08023	1.8
137.02307	1.3
137.05968	1.1
141.06964	0.3
143.08536	0.3
145.06488	0.6
145.10150	0.4
147.07999	0.3
149.09525	0.4
152.00995	1.6
153.01804	5.9
153.06960	0.3
159.07990	0.4
161.09541	0.7
163.11101	0.3
165.05476	1.7
166.05811	0.5
167.03368	1.0
170.02037	2.3
173.13045	0.3
177.12677	0.3
179.10718	0.5
189.05357	0.3
189.09126	0.4
207.10139	1.6
208.10461	0.4
212.04730	0.3
213.05421	0.6
217.04845	0.4
219.13753	0.3
223.13354	0.4
229.04919	2.5
230.05730	1.3
241.04938	0.4
257.04248	0.4
258.05194	19.0
265.14319	4.1
266.14664	2.6
269.04187	2.1
273.03928	0.5
285.03870	11.6
286.04669	69.4
287.05127	0.4
301.07028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88881	3.6
53.00300	6.2
53.03942	6.5
53.33435	3.5
55.01864	7.8
55.05499	22.2
56.96561	24.3
57.03423	7.0
57.07072	4.3
59.04990	8.1
61.35953	3.2
67.05488	54.3
69.03413	25.0
69.07041	23.9
71.04975	27.6
79.05477	54.9
81.03408	5.2
81.07042	100.0
82.07824	5.1
83.04969	8.9
85.06550	4.4
91.05457	52.9
93.07015	61.4
95.04936	86.8
95.08561	35.2
97.02863	16.4
97.06492	31.0
97.93038	4.1
98.22735	3.9
99.04442	5.4
103.05443	4.9
105.06989	56.2
107.04930	5.5
107.08582	92.0
109.06503	91.2
109.10140	22.2
110.07303	24.9
110.53741	5.5
111.08092	4.9
115.05429	4.8
117.06994	22.2
117.87017	4.7
119.08557	58.1
121.06464	22.3
121.10133	19.4
123.08066	18.2
123.11706	5.1
129.07007	6.1
131.08539	23.0
133.06534	4.0
133.10110	26.7
135.08064	20.6
135.11659	20.1
137.09541	5.0
143.08536	8.4
145.06473	7.1
145.10091	28.9
147.08022	8.4
149.09625	10.2
149.13275	17.6
159.08055	19.4
159.11656	49.4
161.09578	6.0
161.13213	6.4
163.07486	5.7
163.11142	25.4
177.12666	30.4
187.11217	20.1
195.78104	4.3
205.12228	53.2
223.13258	10.4
262.28030	4.7
265.14490	8.9
300.18018	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	300.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.0
55.01854	32.5
55.05500	39.4
55.20112	5.1
57.03421	5.5
58.08033	5.1
59.04966	5.1
67.05505	45.4
67.05790	5.3
69.03400	7.3
69.07057	73.4
71.04955	39.7
79.05476	91.3
80.55170	5.1
81.03384	11.5
81.07042	66.4
83.04950	29.5
85.02868	5.1
85.06526	9.1
91.05471	81.0
93.07019	64.6
95.04936	49.9
95.08575	45.0
97.06511	38.5
99.04426	27.1
100.31190	5.5
103.05466	7.3
105.07019	100.0
107.04939	12.9
107.08569	47.9
109.06486	42.2
109.10130	12.2
110.38673	4.8
111.04365	6.5
115.05412	9.3
117.06999	24.6
119.08551	39.6
121.06492	22.7
121.10108	27.0
122.07291	6.1
123.08028	32.0
125.05952	10.6
125.09587	12.2
128.06194	6.0
129.07018	7.3
131.04869	8.1
131.08562	61.8
133.06465	11.9
133.10089	34.2
135.08006	22.9
135.11629	6.9
137.05984	8.0
137.09569	20.9
142.07677	5.9
143.08514	18.1
143.46590	5.2
145.10117	27.8
147.08037	10.6
149.09586	22.3
151.07520	9.1
151.11148	4.9
155.08492	6.4
159.08043	11.7
159.11641	12.2
161.09554	23.6
163.11093	7.9
173.09567	12.7
173.13210	10.4
177.09077	10.1
177.12741	6.1
201.16414	6.6
201.92044	4.9
217.12213	10.5
219.13770	7.4
232.14555	7.1
265.14301	23.1
283.15424	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	300.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99116	0.2
53.22624	0.2
53.48138	0.2
54.82086	0.2
57.07080	0.2
65.74850	0.2
69.28850	0.2
82.19189	0.2
90.73050	0.2
92.08673	0.4
100.07597	0.3
133.69624	0.2
154.20584	0.2
189.90752	0.2
259.16638	100.0
260.16675	0.3
277.17722	1.8
282.27835	0.4
300.19196	0.4
315.51733	0.3
320.73923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01867	2.8
55.05506	18.3
56.96553	2.6
57.03416	3.8
57.07060	4.7
67.05151	3.1
67.05491	47.7
69.03402	7.7
69.07059	26.3
69.70290	1.9
70.25745	1.8
71.04974	19.0
73.02454	2.0
79.05479	23.9
81.07033	52.1
83.04968	10.3
83.08617	11.4
85.06530	9.0
91.05464	26.1
93.07022	41.9
95.04951	16.4
95.08589	23.8
97.06545	17.4
99.04426	11.4
103.05457	2.3
105.07015	62.4
107.08590	38.0
109.06510	18.3
109.10146	100.0
111.04478	2.3
111.08071	17.7
115.05413	2.8
117.07008	16.8
119.08569	59.3
121.06474	10.7
121.10133	17.6
123.11652	2.9
125.09682	3.5
127.11160	4.2
128.06233	2.3
129.07001	3.6
130.07762	3.7
131.04872	7.6
131.08568	22.0
133.10107	24.2
135.08041	11.3
135.11642	8.7
137.09583	9.9
141.06931	2.2
142.07748	2.4
143.08537	4.2
144.09319	4.2
145.10101	85.0
147.08044	4.2
147.11662	3.7
149.09599	10.4
149.13231	3.0
157.10039	3.0
159.08044	2.5
159.11682	59.2
161.09662	2.3
161.13223	18.5
163.11154	5.0
173.13191	3.3
175.14783	3.1
177.09068	3.8
177.12708	7.8
177.16417	4.6
191.17926	13.4
201.16374	37.4
219.13834	2.5
219.17361	14.9
237.18433	14.7
259.13104	2.1
259.16675	2.4
306.19281	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49072	0.3
53.03931	1.5
53.25959	0.3
55.01859	0.6
57.03411	1.8
61.02914	2.9
69.03412	5.9
70.06561	0.7
71.04968	0.4
72.85632	0.3
73.02886	1.4
79.05471	1.4
81.03395	2.5
81.07030	0.5
83.04962	0.4
84.04499	2.7
85.02884	13.2
86.09692	0.6
87.04443	0.5
89.06015	5.4
91.05442	2.1
93.07027	6.2
95.04942	0.8
97.02878	5.8
102.69261	0.4
103.05421	0.5
105.07021	1.6
107.08566	3.0
109.02838	1.5
116.07034	0.7
117.07020	0.7
119.08515	0.7
120.08073	12.8
120.08871	0.7
121.06469	8.2
123.08056	0.6
127.03886	1.9
128.06218	0.4
130.04958	0.6
133.08551	0.9
136.06143	6.5
136.07114	0.4
136.07579	0.6
137.08389	3.0
138.09117	100.0
145.04935	0.4
145.10197	0.7
148.06030	0.9
148.07545	0.6
149.09561	0.5
150.09167	0.9
162.09106	1.9
177.11217	0.7
180.10280	1.3
216.72707	0.4
245.30981	0.4
265.14325	0.8
282.13577	0.8
283.17581	2.4
300.14554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05514	1.6
57.03442	8.1
57.06783	0.9
57.07069	41.0
59.04980	4.9
61.02917	27.1
67.05492	54.5
69.03409	6.5
73.06524	1.2
75.29875	0.9
76.85693	0.6
81.03397	3.7
85.02892	31.4
85.06530	100.0
91.03942	0.8
97.02871	6.6
99.04431	1.3
100.13883	0.8
103.07564	85.8
109.02905	1.4
114.36976	0.7
120.08128	0.9
121.08589	44.9
127.03917	3.5
130.06477	0.9
132.42873	0.7
138.05467	1.1
138.09094	1.4
145.04944	1.2
188.92400	1.1
213.08203	0.7
233.85924	0.8
275.67178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07867	0.3
56.96560	8.2
71.95238	1.5
73.45938	0.3
79.35332	0.3
81.60165	0.4
98.97569	100.0
116.98606	63.7
120.02018	0.4
134.99644	26.5
140.00204	0.6
153.00658	2.7
155.07008	0.5
158.01254	0.5
172.05489	0.4
172.47179	0.4
177.78752	0.3
179.00652	0.7
186.06856	0.5
210.95816	0.7
216.98569	0.5
219.01962	0.5
231.10678	0.5
234.99728	0.6
240.98724	2.4
252.96738	0.5
258.99722	26.6
277.00775	65.0
294.98447	0.7
295.01883	2.1
299.09723	0.9
300.02637	0.5
300.09821	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	300.1073
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
53.03926	0.1
55.01875	0.1
56.05020	0.2
57.03418	0.3
60.04523	0.1
61.02913	0.3
62.06078	1.6
65.03938	0.1
69.03417	0.6
70.06569	0.2
73.02901	0.2
74.06055	0.7
80.72363	0.1
85.02898	2.0
91.05471	0.9
92.05002	0.2
93.07024	3.2
94.06548	3.0
95.04943	0.7
96.04495	0.2
97.02888	0.5
101.06001	0.2
102.05536	0.3
103.05468	1.7
110.06033	2.6
120.06569	0.3
121.01620	0.3
121.06483	34.2
127.03935	0.1
138.05482	100.0
138.08977	1.2
139.02596	0.2
223.02783	0.1
259.04843	0.2
277.05759	0.2
300.10748	14.7
300.14206	0.8
301.36090	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	299.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28794	0.5
53.03944	0.8
55.05497	2.5
56.96561	2.8
57.07073	0.8
61.39589	0.6
65.34401	0.6
66.06268	0.5
67.05487	3.8
68.65532	0.6
69.03412	4.4
69.07053	1.0
71.04971	1.3
79.05473	7.6
81.07051	6.2
83.04955	1.0
90.51389	0.7
91.05468	64.9
93.07039	9.9
95.04971	3.0
95.08601	5.5
103.05448	8.6
104.06254	1.5
105.07015	12.5
107.04927	0.9
107.08588	5.3
108.39142	0.6
109.06563	1.0
109.10145	3.5
115.05420	1.0
117.07009	22.3
119.08566	68.0
121.06492	1.4
121.10165	1.5
123.08051	27.2
128.06221	3.0
129.06998	6.7
131.04913	11.2
131.08562	1.5
133.10120	9.2
135.08083	0.7
135.11694	2.6
137.09634	2.6
141.06992	0.7
143.08505	5.7
145.10135	3.0
147.08034	100.0
149.09637	0.9
155.08513	1.4
156.09346	0.6
157.10120	0.9
159.08014	1.2
159.11713	1.1
161.09610	8.7
161.61845	0.6
165.09087	96.7
171.11642	1.0
173.09686	1.2
181.10292	0.9
207.11868	0.9
229.15845	7.7
235.09900	1.0
240.16135	0.8
245.10565	0.7
258.15451	1.4
274.59497	0.6
281.18988	1.1
295.15659	1.2
299.20010	4.9
315.80786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81667	2.1
55.05503	16.9
56.96556	2.5
58.35920	2.4
59.28740	1.9
67.05489	30.2
69.07060	28.8
79.05480	28.2
81.06602	3.3
81.07045	70.6
83.04971	4.5
83.08591	4.5
91.05470	52.5
93.07026	83.1
95.04968	9.5
95.08594	27.2
103.05455	37.9
105.07021	26.5
107.04936	4.0
107.08588	65.7
109.06538	8.5
109.10152	55.2
115.05447	21.3
117.07020	36.7
119.08546	15.8
121.06473	20.4
121.10145	4.4
123.11716	5.7
128.06230	4.6
129.06949	12.6
131.04918	67.9
131.08530	12.3
132.05682	2.9
133.10104	11.0
134.07281	3.2
135.11678	32.2
137.05981	4.7
141.06985	9.3
143.04936	3.3
143.08575	12.4
144.05641	3.3
145.06467	15.2
145.10048	2.9
147.08070	4.9
149.09610	9.4
151.07558	3.1
155.08542	6.0
157.06474	5.6
157.10165	4.5
159.08076	9.9
159.11702	3.4
160.05252	2.7
161.05975	15.5
161.09656	5.1
162.06754	18.0
163.07533	5.1
163.72942	2.3
169.06436	5.1
169.10092	3.9
171.08029	4.9
174.06773	4.8
175.07538	32.9
176.08313	14.7
177.09093	100.0
183.08034	3.5
184.08769	2.8
185.09576	3.1
187.07431	5.3
189.09073	17.3
191.10641	15.2
193.21072	2.8
197.09593	6.0
201.09113	14.8
202.09851	5.9
203.10635	5.1
211.11172	5.3
215.10678	23.1
216.11411	2.7
217.12207	18.0
229.12215	13.4
231.13800	4.3
243.13737	21.4
249.86388	2.5
258.16205	6.1
299.16788	4.1
299.19977	32.9
299.23312	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	299.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81667	2.1
55.05503	16.9
56.96556	2.5
58.35920	2.4
59.28740	1.9
67.05489	30.2
69.07060	28.8
79.05480	28.2
81.06602	3.3
81.07045	70.6
83.04971	4.5
83.08591	4.5
91.05470	52.5
93.07026	83.1
95.04968	9.5
95.08594	27.2
103.05455	37.9
105.07021	26.5
107.04936	4.0
107.08588	65.7
109.06538	8.5
109.10152	55.2
115.05447	21.3
117.07020	36.7
119.08546	15.8
121.06473	20.4
121.10145	4.4
123.11716	5.7
128.06230	4.6
129.06949	12.6
131.04918	67.9
131.08530	12.3
132.05682	2.9
133.10104	11.0
134.07281	3.2
135.11678	32.2
137.05981	4.7
141.06985	9.3
143.04936	3.3
143.08575	12.4
144.05641	3.3
145.06467	15.2
145.10048	2.9
147.08070	4.9
149.09610	9.4
151.07558	3.1
155.08542	6.0
157.06474	5.6
157.10165	4.5
159.08076	9.9
159.11702	3.4
160.05252	2.7
161.05975	15.5
161.09656	5.1
162.06754	18.0
163.07533	5.1
163.72942	2.3
169.06436	5.1
169.10092	3.9
171.08029	4.9
174.06773	4.8
175.07538	32.9
176.08313	14.7
177.09093	100.0
183.08034	3.5
184.08769	2.8
185.09576	3.1
187.07431	5.3
189.09073	17.3
191.10641	15.2
193.21072	2.8
197.09593	6.0
201.09113	14.8
202.09851	5.9
203.10635	5.1
211.11172	5.3
215.10678	23.1
216.11411	2.7
217.12207	18.0
229.12215	13.4
231.13800	4.3
243.13737	21.4
249.86388	2.5
258.16205	6.1
299.16788	4.1
299.19977	32.9
299.23312	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	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11057	0.2
53.03937	0.5
55.01859	0.5
55.05497	1.5
56.96545	0.3
58.13866	0.3
59.04994	2.7
64.32598	0.3
67.05496	4.4
69.03442	0.3
69.07047	2.0
71.04979	2.5
76.55293	0.3
77.03901	0.3
79.05473	3.3
81.07040	8.9
83.04950	0.3
91.05454	4.6
93.07027	5.1
94.72324	0.3
95.04961	2.6
95.08589	2.2
98.97576	0.3
103.05452	56.6
105.07007	4.3
107.02309	0.3
107.08586	2.4
109.06516	2.7
109.10149	7.3
119.08582	1.2
121.10069	0.6
123.11694	1.3
131.04909	100.0
131.08565	1.5
132.05281	0.4
133.10107	1.6
141.73747	0.3
151.11166	4.4
281.24884	0.4
299.16461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23244	0.3
53.03932	0.5
53.40024	0.3
55.05497	1.9
59.04985	3.3
63.22512	0.4
64.33044	0.4
66.46976	0.3
67.05489	4.9
69.03411	0.8
69.07044	2.1
71.04961	1.5
73.65952	0.4
77.03905	0.8
77.05000	0.4
79.05477	3.6
81.07038	8.7
91.05469	6.9
93.07029	8.9
95.04939	3.9
95.08595	3.6
97.06487	0.5
103.05453	53.7
104.99442	0.4
105.04492	0.6
105.07019	7.6
107.08600	5.2
107.18694	0.4
109.06512	2.0
109.10143	5.5
113.64798	0.3
119.08556	2.2
121.06459	1.6
121.10127	1.9
123.11691	1.6
131.04909	100.0
133.10117	3.6
141.16216	0.4
143.08577	0.6
147.07994	0.4
147.11659	0.8
151.11163	4.0
156.59225	0.4
157.10121	0.5
161.13202	0.6
166.43733	0.4
169.07593	0.5
216.66196	0.4
231.13785	0.6
249.14873	0.4
266.82272	0.5
299.16394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.45802	0.2
54.01632	0.2
54.36179	0.2
55.05505	1.3
57.07054	0.2
59.04996	2.8
67.05489	4.6
69.07059	1.5
71.04976	0.6
74.20121	0.2
77.03934	0.2
79.05476	4.0
81.07037	7.6
83.04947	0.3
83.08631	0.2
91.05466	5.3
92.08731	0.3
93.07020	6.9
95.04949	3.7
95.08594	1.9
97.06499	0.3
103.05449	52.9
105.04494	0.3
105.07011	6.1
107.08580	2.8
107.30879	0.2
109.06517	2.0
109.10140	5.3
121.10077	0.4
123.08015	0.4
123.11694	2.2
131.04906	100.0
132.05322	0.3
133.10089	2.9
145.10074	0.3
149.05998	0.4
151.11172	3.8
296.58359	0.3
299.16299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85409	0.3
53.03947	0.7
53.64638	0.3
54.81759	0.3
55.01862	0.5
55.05500	1.6
57.07060	0.3
59.04998	2.8
62.14101	0.3
63.57090	0.2
67.05495	4.1
69.07055	1.7
71.04969	0.6
77.03924	0.4
79.05487	4.2
81.07046	7.7
90.21011	0.3
91.05476	4.5
93.07027	5.5
95.04957	2.5
95.08582	1.6
95.51580	0.3
103.05457	53.3
105.07019	5.2
107.08592	2.8
109.06509	2.4
109.10172	5.5
117.06967	0.5
117.19814	0.3
119.08517	0.4
121.10148	0.4
123.08034	0.3
123.11681	2.0
127.62186	0.3
131.04913	100.0
133.10136	2.3
138.34604	0.3
149.05959	0.3
151.11157	4.0
196.46825	0.3
263.33539	0.3
289.78180	0.3
299.16464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
52.99656	0.3
54.81665	0.3
55.05497	0.4
56.96582	0.3
59.04966	0.3
59.47052	0.3
59.84107	0.3
63.02341	0.3
63.10818	0.3
64.34949	0.3
67.05492	1.8
69.07067	0.5
71.04982	4.3
71.56572	0.3
74.58328	0.3
75.72520	0.3
78.52375	0.3
79.05469	2.0
79.65806	0.3
80.05796	0.3
81.07042	5.2
85.84424	0.3
87.94569	0.3
91.05446	2.2
92.09321	0.5
93.07023	2.0
95.04952	2.3
95.08621	0.5
103.05456	54.3
105.07029	2.2
107.08574	1.4
109.06507	2.6
109.10121	1.5
119.08574	0.7
121.10163	0.4
131.04913	100.0
133.10147	0.8
143.08517	0.5
151.11163	4.8
257.15161	1.6
258.15430	3.5
299.20184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33625	0.4
53.03931	2.6
54.21650	0.3
55.01846	0.5
55.05508	17.8
57.03430	17.2
58.03769	0.4
59.04715	0.7
59.04992	13.9
61.02634	0.5
61.02919	8.5
69.03418	2.6
71.04976	19.1
73.06544	4.7
74.06872	0.5
74.89507	0.4
75.04482	0.4
81.03384	0.8
83.04969	26.4
84.05318	0.7
85.02893	11.0
85.06541	0.8
86.03233	0.5
97.02884	2.3
101.06003	100.0
102.06329	9.9
109.02909	0.5
119.07043	8.7
120.08099	0.6
121.06490	1.6
127.03871	0.7
130.77252	0.4
137.08080	8.0
138.09100	0.5
145.78116	0.4
156.10214	0.5
196.04306	0.5
202.94321	0.5
272.06485	0.5
299.15948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
54.82106	0.4
55.05505	0.9
56.96552	1.0
57.07053	0.5
59.04988	8.2
61.05249	0.3
67.05489	3.8
69.07049	0.8
79.05464	3.1
80.23613	0.3
81.07036	10.4
83.04950	0.8
88.17165	0.4
91.05462	6.7
92.64748	0.4
93.07018	13.2
95.04951	3.1
95.08578	3.0
95.57165	0.4
97.06529	0.6
103.05450	50.8
105.07018	9.6
107.08588	5.1
109.06519	2.6
109.10159	3.0
113.39824	0.5
117.07021	0.5
119.08542	1.8
123.08002	0.5
123.11652	2.7
131.04901	100.0
133.09196	0.4
133.10097	4.3
135.11783	0.5
149.09612	0.5
151.11153	4.4
165.99992	0.4
168.09288	0.5
169.54092	0.4
213.01405	0.4
222.37466	0.5
299.16153	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03429	0.8
59.04990	100.0
61.02892	0.7
69.03421	2.5
69.89693	0.4
71.05006	0.5
77.79347	0.5
78.61697	0.4
81.03410	0.5
83.04967	1.0
85.02901	7.6
85.37012	0.4
97.02873	2.9
97.08528	0.5
101.05997	54.0
109.02939	0.6
112.34090	0.5
113.28924	0.4
114.36822	0.5
119.07027	17.5
136.09656	2.2
145.04955	0.6
163.14171	0.5
164.09001	0.4
180.08665	1.9
199.76143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.2
53.03938	1.6
54.61329	0.6
55.01860	1.8
55.05504	30.6
56.96278	1.0
56.96554	19.0
57.03427	29.2
59.04718	1.1
59.04989	23.3
60.05319	0.8
61.02911	14.4
65.00809	0.7
65.03925	4.4
67.05489	14.0
68.05830	1.4
69.03413	18.3
71.04975	29.7
73.02888	3.8
73.06528	6.1
83.00766	3.5
83.04964	43.5
84.95999	1.4
85.02889	26.3
86.03247	1.6
87.04435	1.1
89.00762	3.3
89.75013	0.6
92.01283	4.5
93.03368	5.1
95.04939	6.0
96.04465	1.3
97.00461	0.7
97.02878	4.8
98.01291	1.3
98.97555	10.3
101.05993	100.0
102.06329	2.7
102.68598	0.7
103.00485	1.4
103.02303	3.0
105.00134	0.9
109.02853	0.9
111.00216	1.1
111.04428	3.3
113.02337	8.8
115.01543	0.8
116.98597	7.6
119.01878	3.0
119.07034	21.0
120.00750	1.5
120.01948	0.9
121.01536	0.7
121.02822	5.5
123.01135	1.3
124.99902	0.8
125.01736	1.0
127.03902	3.6
128.98512	0.7
134.00522	1.2
134.99649	1.5
137.08064	30.7
139.03894	7.0
141.02211	1.2
142.96515	1.1
143.00079	1.1
145.05022	1.3
146.99580	1.4
157.01622	0.9
158.99637	1.3
162.99135	1.1
169.01752	3.2
171.05013	0.8
174.98975	1.0
177.00684	1.7
178.98695	1.1
184.97652	0.8
185.01175	1.0
186.99129	3.9
187.02768	3.6
188.83650	0.7
191.97221	0.8
198.03258	0.8
199.02673	1.1
201.00804	0.9
202.98512	1.8
203.02155	3.2
205.00195	1.5
212.02670	1.0
212.04668	0.8
213.00630	1.1
215.04155	0.8
221.03047	1.1
222.03148	1.1
230.01666	0.8
230.98064	1.4
231.01758	1.0
248.99109	7.3
267.00183	5.5
276.06369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.05504	31.9
55.85155	6.7
63.57629	7.7
67.05491	71.1
69.07060	32.7
71.08611	100.0
79.05473	17.4
79.47931	7.7
81.07040	72.3
83.08598	11.5
91.05473	14.4
93.07032	34.4
95.08602	52.8
99.08070	56.0
105.07017	14.8
107.08652	9.1
109.10128	7.5
118.52933	7.7
121.10127	13.8
131.04950	10.4
147.11678	41.6
279.23175	40.2
313.52368	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	297.2423
Annotation	9R-HODE
Peak:m/z	Relative Intensity
50.10645	6.7
55.05510	16.4
56.34681	6.0
67.05499	76.7
69.07030	9.9
71.08625	100.0
79.05465	14.5
81.07049	94.9
83.04958	12.3
83.08613	10.4
91.05474	8.9
93.07006	17.1
95.08580	64.0
99.08092	43.6
107.08608	14.5
109.10176	13.3
123.11684	7.2
131.08630	10.9
135.11633	8.1
147.11717	31.9
185.64499	7.3
279.23163	49.2
319.45853	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	297.2421
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.02444	1.4
53.00296	3.4
54.04705	1.4
55.01862	8.2
55.05511	16.9
57.03431	3.0
57.07065	2.9
57.78992	1.7
64.01015	1.6
67.05490	38.1
69.07051	22.2
71.08617	100.0
79.05479	26.7
80.10555	1.6
81.07040	58.9
83.04964	3.6
83.08598	8.5
85.06520	2.6
85.10185	2.2
91.05474	26.2
93.07032	30.3
95.04960	2.2
95.08588	38.2
97.06500	8.9
97.10147	4.4
99.08077	45.2
102.08981	1.8
103.05460	4.6
105.07025	23.2
107.08591	17.0
109.06491	3.3
109.10141	11.3
111.08056	2.5
117.06999	2.6
119.08540	13.3
121.10146	9.9
123.11681	4.2
125.09673	2.5
131.04922	15.7
131.08551	10.6
133.10075	2.9
135.11633	4.4
137.13229	2.7
139.11154	2.3
139.31409	1.9
145.10129	8.3
147.11652	30.5
149.09639	2.8
149.13235	2.5
153.12688	3.7
159.11781	2.4
163.11177	4.1
163.14835	9.6
165.12759	8.9
166.97960	1.9
167.14369	2.6
181.15855	2.9
198.29401	1.7
208.88365	3.7
209.89113	2.3
243.21068	9.1
250.89346	7.8
255.68425	1.9
261.22018	13.6
279.23166	42.8
297.24335	3.3
301.48666	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01870	100.0
55.05508	67.2
57.03405	2.6
57.07061	9.0
64.10313	2.3
67.05492	80.3
67.53500	2.2
69.06715	3.6
69.07059	69.7
71.04984	2.1
73.17950	2.1
75.82641	2.2
78.11754	2.2
79.05471	42.5
81.07039	89.6
83.04968	29.9
83.08601	13.3
85.06506	9.9
85.10192	3.1
91.05466	21.4
93.07018	54.6
95.04939	4.2
95.08588	71.7
97.06517	13.8
97.10180	15.8
103.05451	15.7
105.07024	14.9
105.47511	2.5
107.08581	31.7
109.10146	43.1
110.10461	10.9
111.08043	2.6
117.07002	5.6
119.08562	11.9
121.10156	33.3
123.11699	13.1
124.11213	2.5
125.09619	44.3
125.11539	2.7
130.47649	2.1
131.04929	40.2
131.08537	13.0
133.10100	5.2
135.08028	3.0
135.10741	2.3
135.11674	17.8
137.13243	4.6
145.10118	10.5
147.11632	2.9
149.09598	15.2
151.14795	4.1
159.11736	3.7
163.11107	4.1
163.14844	2.9
173.13203	3.1
181.12178	9.0
181.15872	2.8
208.88397	4.9
243.21162	4.9
250.21703	4.2
250.89420	5.0
251.21828	10.8
251.23949	3.7
261.22235	5.3
279.23184	81.3
297.18402	3.7
297.22418	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	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.31636	0.1
61.01141	6.9
69.03412	0.6
74.73019	0.2
75.02682	3.2
85.02876	0.2
94.04036	0.3
97.02879	1.7
98.97560	0.2
103.02165	0.3
119.03474	0.7
136.06171	100.0
137.04536	0.3
145.03186	1.2
163.04272	0.4
298.09656	4.1
298.12848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
53.00294	3.4
53.67315	3.2
55.01869	100.0
55.05506	61.4
57.03420	5.5
57.07059	14.7
57.09750	3.1
60.81876	3.0
67.05488	79.9
69.07054	63.1
75.97124	3.1
79.05477	46.1
81.07034	87.2
83.04950	25.5
83.08600	8.2
85.06493	5.7
85.10166	3.9
91.05463	7.2
93.07020	51.3
95.08585	68.1
97.06491	20.4
97.10140	15.8
103.05492	3.9
105.06995	8.4
107.08598	15.5
109.10153	36.6
116.52673	3.3
117.07016	4.3
121.10133	17.9
121.72560	3.1
123.11669	6.4
125.09601	35.5
130.39514	4.4
131.04927	3.6
131.08511	4.3
135.11649	8.3
151.23875	3.4
163.10983	3.1
163.14825	4.8
165.16273	3.8
169.17714	3.1
241.43250	3.4
251.23775	6.9
279.23135	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
53.00306	3.3
55.01865	3.8
55.05501	26.8
56.38969	1.9
57.03432	5.5
57.07062	12.4
67.05497	78.7
69.07048	25.7
71.08615	71.6
79.05485	21.5
81.07036	100.0
83.04961	4.2
83.08603	17.9
85.06526	3.9
85.10169	5.0
91.05456	17.0
92.08660	2.8
93.07030	31.3
95.04967	3.6
95.08582	67.4
97.06503	3.8
97.10129	4.6
99.08067	37.8
105.06982	11.7
107.08569	16.0
107.09772	2.3
109.10152	39.4
111.08031	3.4
113.09618	2.5
119.08575	5.4
121.10120	14.9
123.11670	11.5
125.09615	4.6
131.08553	9.7
135.11719	4.7
137.13228	3.6
141.12732	5.4
147.11688	21.9
149.13210	3.1
155.10683	3.8
163.14879	3.4
165.12749	4.7
167.14252	3.4
173.13228	3.3
173.75308	2.7
183.13795	9.7
219.35538	2.7
243.21132	5.3
257.32495	2.6
261.21985	3.6
279.23126	49.4
297.24146	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	297.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32990	2.1
51.25542	1.9
53.03944	5.9
55.01857	16.1
55.05498	3.2
57.03429	5.4
60.59906	3.0
62.42715	1.9
63.07954	2.3
65.03910	2.7
67.05506	6.0
68.99779	12.1
69.03403	6.2
70.89630	2.2
71.04964	6.0
73.06563	2.3
79.05478	34.8
81.03413	5.3
81.07034	33.3
81.08569	2.7
83.01328	4.9
83.04990	3.6
85.02887	18.7
85.06532	2.9
91.05468	71.7
93.07014	34.0
95.01286	4.7
95.04948	25.8
95.08578	4.8
97.02871	11.9
99.04447	3.0
101.02345	9.6
103.05431	5.1
105.07015	37.9
107.04935	15.8
107.08576	22.9
109.02841	10.4
109.06488	14.2
109.10256	2.5
111.04423	14.7
113.02354	14.9
115.03928	3.0
115.05415	39.1
116.06248	4.1
117.06998	100.0
119.04897	20.3
119.08578	20.1
121.02837	20.5
121.06477	23.6
123.00764	21.3
123.08056	4.6
123.62749	2.5
125.02338	4.9
125.05965	10.1
127.03897	39.9
128.06207	12.7
129.06969	19.0
131.08537	49.3
133.06480	6.2
134.03616	10.4
135.04355	13.8
135.08044	34.6
137.02319	72.6
137.05911	3.6
137.09644	4.5
137.83379	2.6
141.05434	6.2
141.06973	14.3
142.07756	3.6
143.08534	3.4
144.05710	11.4
145.06470	88.4
147.08029	13.9
149.05984	24.4
149.09607	22.0
151.03880	10.8
151.07553	4.0
153.05444	55.9
155.03392	42.2
158.07309	2.9
159.08032	61.4
161.05959	5.1
161.09593	6.1
163.07526	27.8
167.06989	3.7
169.04912	12.2
169.06435	11.1
173.05963	36.0
177.05457	33.7
177.09073	49.9
179.03262	2.7
183.06522	9.8
187.07510	35.8
191.06972	29.9
191.10661	3.8
197.04355	10.0
201.09065	6.0
205.08586	35.6
209.08051	44.3
209.11620	3.9
211.06015	22.3
215.07051	10.6
219.10153	18.9
227.09140	13.3
233.08025	15.8
247.09564	18.9
279.12119	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	296.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08916	0.8
55.05503	2.3
56.96549	2.0
60.04521	9.4
62.52747	0.9
67.05487	3.6
69.03416	1.3
69.07062	7.6
71.04984	2.1
79.05474	4.8
81.07036	9.3
83.08607	1.6
85.06484	1.2
91.05450	4.8
92.08588	1.7
93.07043	13.0
95.04932	0.9
95.08605	8.1
97.06520	1.4
98.09673	1.7
105.07008	12.1
106.66791	1.0
107.08575	12.2
109.06505	1.4
109.10164	6.9
114.09148	1.1
119.08565	13.1
121.06508	2.1
121.10143	9.4
123.08085	1.4
131.08539	6.0
133.10118	9.4
135.08029	5.1
135.11684	7.5
145.10135	23.2
147.11665	5.4
149.09575	1.0
149.13266	2.0
159.11681	13.9
161.13187	1.5
163.11171	7.3
175.14798	12.8
177.16455	1.4
191.17937	4.8
201.16351	9.9
218.19048	5.9
219.17432	15.5
232.28970	0.9
236.20033	4.6
243.09166	0.9
261.18524	1.2
296.22144	100.0
296.25558	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69638	1.3
55.05503	6.7
57.27100	1.9
64.33334	1.5
67.05495	22.0
69.03422	27.6
69.07062	4.0
69.16557	1.4
79.05487	23.0
81.06591	3.1
81.07047	48.5
83.04940	1.7
83.08610	2.7
91.05466	16.0
93.07023	44.6
95.08584	42.5
97.06519	9.7
105.07022	31.4
107.08579	69.4
109.06499	3.2
109.10139	29.3
111.08070	7.2
117.07007	8.7
117.53532	1.6
119.08564	26.1
121.10134	16.3
123.11767	2.2
125.09580	2.1
131.08549	23.6
133.10109	15.8
135.11670	35.0
145.10117	55.1
147.11656	2.4
159.11653	22.7
161.13211	4.0
168.84462	2.2
173.13266	13.2
191.17825	2.4
201.16348	100.0
208.88297	2.9
219.17422	53.5
236.56117	1.7
273.90921	1.6
296.22180	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	296.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13775	0.3
53.03932	2.3
55.01868	1.9
55.05508	3.4
57.03437	4.1
59.04980	0.5
61.02917	4.0
69.03425	7.7
69.07048	1.0
71.04987	1.1
73.02905	2.2
79.05480	21.9
81.03407	3.7
81.07047	100.0
82.93114	0.4
83.08611	0.8
85.02899	41.4
87.04471	0.8
91.03940	1.9
91.05498	0.7
93.07014	1.0
95.04942	0.8
95.08572	0.6
97.02885	10.6
97.06520	0.5
99.04428	0.9
99.08082	38.0
103.03941	0.8
105.07059	0.9
109.02841	3.6
115.03928	0.5
117.05564	0.6
117.09112	6.8
121.06455	0.5
123.08083	0.7
127.03916	7.4
133.04956	0.5
145.04948	9.3
163.06017	4.4
177.09074	0.5
207.10182	0.5
225.11377	1.6
233.80496	0.4
261.13422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.5
56.96552	60.5
57.07053	10.7
60.49130	7.2
67.05488	72.1
69.03423	11.8
69.07045	48.5
69.82191	7.5
71.04968	15.2
71.08618	11.4
74.09688	13.0
74.43262	7.8
79.05479	41.8
81.03415	10.1
81.07034	98.1
82.07366	10.7
83.04948	13.5
83.08630	14.2
87.37584	7.8
91.05457	53.7
93.07021	87.3
94.07310	14.0
95.04933	13.1
95.08577	59.4
103.05415	12.6
105.07027	98.4
105.07623	9.4
105.07941	7.5
107.08580	75.1
109.06503	13.9
109.10138	34.9
117.07004	13.8
118.77357	9.5
119.08572	79.7
121.06557	9.2
121.10139	44.9
127.74493	12.1
131.04872	17.6
131.08546	17.3
133.10088	60.8
135.11638	11.7
145.10100	36.6
147.11681	20.4
151.11177	19.1
152.11496	11.8
159.11670	58.1
161.13208	11.7
163.11159	18.1
175.14784	20.1
201.16356	33.0
219.17458	100.0
278.21823	13.4
296.22714	14.4
307.12042	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	4.0
54.82026	1.8
55.01863	6.8
55.05509	25.9
56.07794	1.4
56.96557	6.2
57.03421	3.4
57.07061	6.7
65.03931	3.3
67.05148	3.0
67.05496	76.1
69.07058	35.9
71.04964	8.4
79.05479	70.1
81.07047	81.7
81.07534	2.7
83.04940	3.8
83.08595	6.8
85.02882	1.8
85.06538	7.0
87.04456	3.1
91.05466	69.5
93.07027	100.0
93.41219	1.5
95.04960	15.6
95.08594	46.4
97.06497	12.7
98.97562	2.8
102.65659	1.5
105.07027	60.0
106.14826	1.6
107.08590	39.6
109.06510	14.5
109.10152	16.0
111.08035	2.1
115.05440	2.4
116.98588	2.4
117.07017	16.0
119.08578	49.9
121.06523	3.8
121.10133	23.6
123.11694	8.7
129.06984	10.5
130.07681	1.9
131.08560	16.6
133.10132	36.3
135.08038	11.2
135.11642	9.6
137.06029	1.9
137.09596	2.0
142.07759	1.8
143.08537	10.9
145.10136	18.2
147.08015	10.0
147.11665	22.9
149.09625	3.7
149.13246	7.9
151.11134	1.8
157.10141	8.1
159.11647	3.5
161.09637	3.3
161.13205	4.2
163.11102	2.8
163.14769	3.2
165.09094	3.3
171.11661	3.5
173.13092	1.8
175.11162	3.1
175.14757	2.7
177.16347	2.3
179.10696	2.9
185.13237	3.6
189.12820	2.5
193.12254	3.0
207.13776	7.4
217.19566	7.5
231.17337	2.7
241.19435	2.4
259.20535	6.8
277.21637	25.0
295.18665	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.23735	1.5
53.00284	2.8
53.03933	7.0
55.01870	4.4
55.05505	41.8
56.96557	4.8
57.03409	4.1
57.07059	12.8
65.03937	2.4
65.56725	1.9
67.05495	64.5
69.03418	20.1
69.07059	35.8
71.04974	11.0
71.08618	34.6
75.79940	1.7
79.05475	58.1
81.03403	31.9
81.07042	100.0
83.04959	23.5
83.08593	9.4
85.02901	2.5
85.06519	9.3
91.05467	27.8
93.07027	55.7
95.04955	34.9
95.08585	37.2
97.06499	11.6
97.10126	3.5
99.04404	3.4
99.08085	14.5
105.07010	31.2
107.04926	2.5
107.08575	26.2
109.06493	22.5
109.10146	29.6
111.08023	2.9
117.06989	9.3
119.08561	39.5
121.04692	2.0
121.06429	2.8
121.10152	19.2
123.11674	9.8
125.09686	2.5
128.06198	2.5
131.08545	8.8
133.10104	24.2
135.08009	2.2
135.11646	10.3
135.61125	2.0
137.09599	25.9
137.13182	2.3
139.11142	3.1
143.08546	3.8
144.39090	2.0
145.10086	8.7
147.07961	2.6
147.11684	10.4
149.09637	2.9
151.11162	33.5
157.10039	4.2
159.11633	4.3
160.00752	1.9
161.09596	4.1
161.13205	9.1
163.11116	9.6
165.12732	3.8
179.14238	2.3
189.12842	2.1
193.15831	2.0
217.15924	8.0
221.15289	3.4
227.67551	2.1
249.22339	2.5
259.20605	3.6
277.21548	50.0
295.19299	3.3
295.22620	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	295.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88219	0.5
54.37138	0.6
55.05499	0.6
56.59867	0.5
56.96547	3.7
57.03425	0.9
59.24594	0.5
62.21832	0.5
63.81917	0.4
67.05487	1.0
69.03414	0.8
71.82312	0.6
73.02914	0.9
74.56298	0.6
76.55981	0.6
79.05476	0.9
81.07021	2.5
85.02873	3.0
91.09672	0.6
93.07028	0.7
98.97582	1.4
105.07013	0.7
109.10141	1.3
116.98568	0.9
153.54909	0.6
161.01044	0.7
193.49165	0.6
201.04297	0.9
233.15079	1.1
253.07410	1.3
295.18738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	1-O-Acetylageratriol
Peak:m/z	Relative Intensity
53.00297	0.9
55.01862	1.7
55.05512	5.3
56.26794	0.6
56.96552	5.1
57.03418	1.1
57.07077	6.4
61.96099	0.7
64.96683	0.7
67.05486	8.6
69.03421	5.8
69.07063	20.9
71.04974	1.5
71.08621	1.0
73.19592	0.8
76.70123	0.8
78.12949	0.8
79.05493	5.6
81.06593	1.5
81.07042	24.2
83.04964	4.5
83.08599	3.5
85.02898	68.3
91.05459	6.0
93.07030	23.4
95.04944	1.7
95.08005	1.4
95.08594	33.7
97.06526	10.2
101.02423	0.8
101.06010	5.2
105.07018	15.1
107.08604	9.8
109.06508	13.3
109.10148	18.3
110.03104	0.9
119.08573	12.5
121.06519	5.3
121.10114	2.9
123.08064	3.2
123.10892	1.2
123.11696	16.5
131.08540	3.0
133.06483	3.8
133.10132	10.8
135.08064	1.5
135.11679	11.5
136.04672	0.8
136.06415	4.0
137.05963	14.1
137.09598	13.4
139.11179	1.4
142.55022	0.9
147.08044	1.4
147.11633	3.3
149.09570	0.8
149.13223	3.7
150.10402	1.0
151.07549	16.6
151.11200	1.6
151.14807	20.6
151.27493	0.8
155.07272	1.7
155.08998	0.8
157.10126	1.3
159.11737	1.8
161.09592	4.7
164.07779	3.2
164.09589	3.1
164.29292	0.8
173.13220	1.8
175.11140	12.6
175.14807	8.2
177.12677	0.9
183.03369	2.9
187.68047	0.9
189.16307	0.9
193.15858	100.0
194.16292	1.0
201.04350	1.4
201.07930	1.2
209.11906	1.5
217.15842	5.6
232.92659	0.8
235.16910	35.9
239.09491	1.5
254.14359	2.9
254.64470	1.2
257.10568	0.9
263.14822	1.3
289.57242	0.7
309.13525	6.1
318.01044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01851	1.0
55.05502	1.9
56.05027	0.4
57.03423	2.0
57.04539	1.6
59.04988	2.1
61.02916	2.6
67.57523	0.2
69.03070	0.3
69.03419	5.0
69.07047	2.2
70.06590	0.3
71.04970	1.0
72.11173	0.2
73.02907	1.6
73.06530	0.4
81.03400	1.2
81.07021	0.5
85.02889	17.1
87.04440	0.2
87.08077	2.1
91.05432	0.3
94.04033	3.5
95.08591	0.3
96.05582	0.4
97.02868	4.2
97.10126	1.4
99.04453	0.3
99.08043	0.3
101.06022	1.7
103.03898	0.3
105.07007	0.4
106.83081	0.2
109.02849	1.2
112.05114	0.3
113.07121	0.3
115.03895	0.5
115.07549	3.8
119.03458	0.3
120.04452	2.0
123.06641	2.4
127.03856	2.6
132.08081	0.3
132.95801	0.3
133.05031	1.1
133.08594	0.4
135.05356	0.4
141.06590	3.1
145.04938	2.2
147.15495	0.2
148.06114	0.4
150.07726	100.0
158.05901	0.2
163.05956	0.3
176.07069	0.4
193.44510	0.2
232.10794	1.3
245.12825	0.3
260.10162	2.6
278.11322	9.7
295.11435	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	295.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.96547	2.4
57.03408	1.0
59.16270	0.5
63.62787	0.7
67.05484	1.3
69.03407	2.7
73.02905	1.1
75.82508	0.5
81.03397	0.6
81.07021	2.7
85.02883	2.6
97.02873	1.2
98.97556	1.5
105.07021	0.9
106.47204	0.8
107.08553	1.0
109.10114	1.6
156.54579	0.6
168.73061	0.7
171.52364	0.6
211.24049	0.6
282.39108	0.7
295.18738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01867	25.8
55.05505	1.7
57.03430	46.5
59.04986	6.6
59.58699	1.3
61.02921	18.2
66.03555	1.1
69.03072	2.5
69.03418	49.7
71.01335	10.3
71.04972	2.5
73.02899	49.3
79.05482	1.6
79.43917	1.3
81.03399	6.5
81.07049	9.6
85.02894	100.0
87.04456	10.4
91.03954	1.4
92.08614	3.0
93.07045	1.3
95.04976	1.8
97.02872	39.1
97.06522	1.6
99.04469	2.4
99.08099	5.1
101.02393	1.6
102.31334	1.3
103.03912	2.8
109.02887	7.2
115.03916	20.9
121.87593	1.2
127.03889	12.2
133.04948	28.8
138.51901	1.2
145.04979	13.7
163.06012	2.2
177.91045	1.5
277.15491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.28450	0.8
53.03938	2.1
55.01864	6.8
55.05501	1.2
57.03428	55.2
59.04992	2.0
61.02913	16.4
61.70190	0.8
67.05495	1.0
69.03415	62.7
71.01337	9.7
71.04979	2.4
73.02898	81.5
76.56428	0.9
81.03396	7.2
81.07039	1.4
83.04959	1.6
85.02889	100.0
87.04462	6.2
95.04923	1.0
97.02869	60.1
98.97544	1.7
99.04437	1.7
103.03918	1.9
105.07021	1.6
109.02837	6.9
115.03914	35.1
115.04740	1.5
127.03881	16.3
131.08562	1.4
133.04927	13.7
145.04958	11.6
145.79570	1.2
163.05974	1.8
190.38951	1.0
241.07204	1.2
295.11673	1.3
295.15237	2.0
295.18756	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	295.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01859	0.8
55.05494	1.1
57.03426	1.5
57.04562	1.3
57.16804	0.2
59.04969	0.9
61.02908	1.5
64.88931	0.2
68.61198	0.2
69.03413	2.9
69.07063	1.2
71.04959	0.2
72.93779	0.1
73.02911	1.6
77.25602	0.2
81.03382	0.9
81.07023	0.2
82.04011	0.2
85.02890	10.8
87.04443	0.2
87.08079	1.4
91.03923	0.3
94.04039	3.5
95.08578	0.2
96.05579	0.3
97.02860	2.5
97.10157	1.2
99.04414	0.2
101.05994	1.1
108.04309	0.2
108.30064	0.2
109.02839	0.7
112.05081	0.4
115.03897	0.3
115.07539	1.8
115.11151	0.2
119.03526	0.2
123.06643	2.6
127.03909	1.8
133.05060	1.3
133.08582	0.3
135.05344	0.3
140.66072	0.2
145.04944	1.6
148.06174	0.3
150.07729	100.0
151.08084	0.6
235.32454	0.2
241.51324	0.2
278.11362	0.8
285.74701	0.2
295.11490	2.9
295.18915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.20945	0.2
53.53580	0.2
56.96554	0.3
57.07055	0.8
67.05486	1.2
68.80111	0.2
69.07035	0.7
71.04977	0.2
71.08606	0.2
71.34696	0.2
79.05466	1.0
81.07034	3.0
91.05450	1.1
92.09235	0.2
93.07035	0.3
94.04160	2.3
95.04972	0.2
95.08595	0.4
103.11761	0.2
105.06989	0.8
107.04955	0.3
107.08547	0.3
115.92455	0.2
117.06973	0.2
119.08537	0.9
121.10091	0.3
122.03625	8.9
123.11680	1.2
133.10040	0.3
137.05956	100.0
138.06276	0.2
147.11633	0.3
158.15341	1.5
170.15373	0.9
175.14825	0.2
193.15860	0.2
238.02786	0.2
294.20587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
54.81459	0.2
55.01852	0.3
55.05481	0.2
56.96532	0.3
57.07055	1.2
66.04678	0.2
67.05479	0.8
71.08610	1.3
79.05463	1.0
81.07054	1.9
88.27968	0.2
91.05460	1.0
92.97692	0.2
93.07030	0.3
94.04172	2.8
95.04960	0.2
95.08578	0.3
98.49562	0.2
102.09139	0.2
105.07045	0.7
107.08579	0.3
118.79009	0.2
122.03634	8.8
131.08504	0.2
135.08067	0.2
137.05959	100.0
138.06329	0.4
141.12706	1.4
157.10170	0.2
158.15375	1.3
159.11624	0.2
163.38857	0.2
193.03778	0.3
240.30612	0.3
294.20499	0.4
311.91452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.20634	1.7
53.03942	1.8
53.12771	1.6
55.01859	2.7
55.05507	25.7
56.96547	12.1
57.07054	11.1
67.05486	25.3
69.03396	3.4
69.07049	18.1
70.06567	3.2
71.04964	12.7
72.90112	1.9
79.05479	22.6
81.07031	61.1
83.04945	8.4
83.08598	7.9
85.06516	11.3
91.05448	25.6
93.07023	37.7
95.04940	9.9
95.08588	20.6
97.06496	3.6
99.04421	2.8
99.08064	15.2
105.07017	31.5
107.04920	11.2
107.08576	27.8
109.06496	4.4
109.10155	13.8
111.08080	7.7
117.06963	2.4
119.08540	24.3
121.06469	10.9
121.10116	12.9
123.07967	3.2
123.11677	100.0
127.07529	11.1
129.06970	2.4
131.08527	16.1
133.06444	2.9
133.10089	17.2
135.07997	7.9
135.11656	8.5
143.08479	2.5
145.06480	2.8
145.10115	13.8
146.10472	2.9
147.08011	14.9
147.11684	8.5
149.09576	9.4
149.13263	3.2
151.11226	3.5
157.10101	3.8
159.07964	2.8
159.11670	10.7
161.09599	2.8
161.13223	12.0
163.11122	4.4
164.11530	2.9
165.12671	2.2
169.10074	10.4
171.10109	2.3
171.11591	7.4
172.85490	2.2
173.09586	3.8
173.13208	2.8
175.14778	2.8
177.12701	12.0
180.10170	8.0
181.10530	8.7
183.11578	1.9
187.11154	26.3
189.12747	3.6
191.14252	2.3
198.14749	2.2
203.14253	53.4
205.12231	20.5
215.14265	3.6
216.14679	2.4
250.18007	2.0
251.18254	2.2
257.18906	9.9
265.21469	2.1
271.20517	2.3
275.20041	41.6
292.19202	3.6
293.21008	14.0
295.58121	2.1
310.23007	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
53.78495	4.2
54.15942	4.1
54.81592	3.7
55.05511	7.2
56.10742	4.3
56.96567	19.3
57.84636	4.2
60.66442	3.5
67.05489	18.4
69.07065	7.9
76.56015	4.7
79.05457	8.6
81.07034	37.4
83.04987	5.0
88.07637	8.0
91.05486	10.5
93.07030	24.9
95.04934	6.7
95.08591	59.2
105.07022	20.0
107.08604	21.6
109.06477	6.6
109.10159	7.1
117.07018	7.4
119.08579	10.5
121.10173	5.8
123.08067	21.8
125.05719	5.5
129.06950	5.5
131.08553	8.8
133.10109	6.0
137.02060	38.0
145.10088	5.3
149.08444	5.0
151.07292	100.0
159.11766	7.1
177.08891	6.1
226.56172	4.7
232.29668	5.0
275.11765	4.9
292.27432	8.6
293.14487	13.1
293.17276	32.2
293.27997	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01860	7.6
55.05505	26.0
56.96560	1.2
57.03423	2.9
57.07073	1.5
62.30090	1.2
63.38105	1.2
65.39259	1.2
67.05495	43.9
69.03418	1.6
69.07055	42.0
71.04977	5.4
79.05479	31.3
81.03394	2.9
81.07043	56.2
83.04968	14.7
83.08614	8.7
91.05462	33.2
93.07021	45.1
95.04946	17.3
95.08588	30.8
97.06507	6.7
97.10131	3.4
105.06356	2.6
105.07013	39.8
105.96266	1.4
107.04935	10.1
107.08592	25.5
109.06508	18.9
109.10148	15.8
111.08092	1.7
117.06996	12.2
119.08566	21.4
121.06480	15.1
121.10116	14.6
123.08028	9.5
123.11691	5.8
125.09629	1.4
129.07014	2.2
131.08534	23.8
133.10095	24.1
135.08037	7.8
135.11681	7.4
137.09506	2.5
138.52660	1.3
143.08557	5.9
145.06483	1.6
145.10101	15.3
147.07961	2.7
147.11662	17.6
149.09583	8.6
149.13271	5.5
151.11180	7.1
155.08534	1.6
159.11607	12.7
161.09599	2.3
161.13210	2.9
162.48871	1.6
163.11162	5.6
173.13251	8.0
177.12708	1.9
183.11562	1.7
187.11182	1.8
201.12766	1.8
219.13713	5.0
229.19470	1.5
257.18988	11.2
275.19992	100.0
293.20987	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	293.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82435	3.9
56.09970	4.1
57.07080	6.6
61.68858	4.3
65.79648	4.1
73.00740	4.1
81.07075	4.5
81.25314	4.1
87.25988	3.4
92.65245	4.3
96.34335	4.0
112.96041	4.0
119.98744	4.4
151.07281	19.8
162.31572	4.7
165.08873	7.8
177.08853	100.0
191.10417	4.3
261.08493	5.0
261.14545	74.7
275.16177	5.5
293.17261	61.3
301.54932	4.4
304.61322	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76366	7.3
67.95513	9.3
73.75859	9.0
73.76281	7.9
84.06207	9.6
103.35476	8.7
105.07073	9.2
111.05629	9.8
177.08844	100.0
293.17206	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12878	1.9
50.36452	1.6
52.60429	1.4
55.05504	2.4
55.16367	1.7
59.73581	1.9
67.05499	2.1
69.07056	5.0
75.20102	1.7
81.07046	9.6
83.08591	4.1
90.98687	1.9
91.05457	2.3
93.07024	2.9
95.08583	8.1
105.06994	2.8
105.82232	1.8
107.04744	2.7
107.08618	2.2
109.10105	3.3
118.01588	2.0
123.11678	2.7
134.05832	1.9
135.07823	17.7
135.08727	1.8
149.13301	2.1
177.08852	20.3
206.12724	4.1
235.13197	2.7
293.13913	4.0
293.17169	100.0
313.76169	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	293.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.7
55.05500	5.4
56.96554	4.4
67.05486	15.0
69.03410	3.9
69.07043	6.8
79.05473	12.8
80.02374	4.1
81.07040	27.1
81.94091	2.8
83.08587	3.4
84.29573	2.8
91.05471	23.3
93.03138	12.9
93.07015	43.6
94.03963	5.5
95.04954	15.4
95.08566	12.6
97.06551	5.2
105.07036	14.2
107.08574	7.6
109.06534	3.7
111.08019	5.5
119.08568	12.2
121.10106	5.5
133.10156	4.9
135.04129	5.2
135.07831	15.0
145.10133	3.3
151.07324	3.6
152.08072	7.3
165.08850	7.3
171.06470	3.1
177.08879	18.2
187.04166	3.1
193.12050	6.1
195.09868	35.9
235.12837	4.1
293.13922	5.0
293.17218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89611	1.6
80.41994	1.2
177.08775	14.2
205.11948	8.2
217.11949	5.8
259.16550	1.7
261.14563	100.0
275.16220	2.6
276.16879	2.2
293.17215	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61232	0.8
52.61873	0.8
55.78138	0.9
60.71518	0.8
62.60482	0.8
82.85253	0.9
91.05457	0.9
93.07027	1.3
95.04960	1.0
122.75738	0.9
151.07265	9.4
165.08891	7.9
174.23814	0.9
177.08849	5.8
191.10402	1.6
191.31285	1.2
217.12146	1.4
261.14578	100.0
276.17117	0.9
278.40668	1.0
289.74542	1.0
293.17200	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1222
Annotation	Itoside L
Peak:m/z	Relative Intensity
52.40807	0.5
55.01868	0.6
55.14518	0.6
57.03426	2.6
57.07072	4.8
59.05000	0.8
61.02912	3.8
65.03918	1.0
67.05491	30.9
69.03428	5.6
69.33122	0.5
71.04980	6.7
71.22994	0.5
73.02908	1.1
81.03402	3.7
84.53406	0.6
85.02885	21.4
85.03358	1.0
85.06535	13.0
87.04549	0.6
93.07008	0.7
95.04950	34.0
97.02867	4.9
99.04456	1.1
104.42188	0.6
109.02890	1.0
113.05989	100.0
116.98596	0.6
121.26151	0.6
123.54622	0.6
127.03877	2.2
131.07018	30.8
145.04962	2.1
161.07063	4.6
180.11409	0.6
257.09225	1.1
293.14923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1511
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
54.08771	6.0
56.96558	18.5
64.65715	6.3
67.05486	9.5
69.07039	12.7
79.05476	17.6
81.07049	30.1
82.00092	6.9
93.07066	8.1
95.08591	13.1
105.07043	11.9
107.08561	8.5
119.08575	12.7
120.35526	6.5
140.67484	7.2
145.10112	10.7
151.07466	9.9
153.39581	7.5
170.10103	8.8
211.33754	7.3
232.64078	8.1
293.14993	100.0
293.17642	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	293.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29417	6.6
55.05490	10.4
56.96547	32.6
57.51941	8.8
58.89248	7.3
67.05469	10.2
69.07047	12.0
69.71632	6.9
71.41664	7.0
79.05470	32.1
81.07032	54.4
83.04964	9.0
88.64275	7.7
91.05470	14.9
93.07034	52.0
95.08569	32.9
105.07001	45.0
107.08574	19.1
109.06502	9.8
109.10091	8.7
119.08578	17.1
121.06515	10.5
121.10130	13.4
129.06976	9.9
137.02075	37.0
145.10080	8.7
161.13225	8.6
177.08847	40.6
191.95721	8.2
293.14682	100.0
293.17700	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	293.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
56.96558	7.8
57.07072	1.7
62.11398	1.0
63.10109	1.0
67.05492	6.2
71.04961	1.3
73.98930	1.1
79.05480	6.8
81.07044	6.0
85.28773	1.2
87.45790	1.3
91.05468	6.0
93.07047	6.2
94.99216	1.2
95.04967	2.1
95.08598	2.6
97.06541	1.3
103.91566	1.4
105.07042	6.5
107.08592	2.2
109.10176	1.9
111.67421	1.4
114.37083	1.2
119.08614	2.0
122.45519	1.3
131.08588	2.5
133.10132	4.4
157.10181	1.5
159.03256	1.9
166.93501	1.1
241.11092	1.5
275.20056	2.1
276.60364	1.3
281.31277	1.3
293.17319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
54.58846	0.5
54.81435	0.7
55.01865	0.7
55.05276	0.7
55.05508	13.1
56.96548	0.9
58.06309	1.2
58.06595	32.0
58.64165	0.5
59.08339	0.6
60.04515	2.6
63.93785	0.5
67.05498	5.1
69.03411	4.7
69.07052	2.8
71.04967	2.8
79.05471	6.8
81.03402	0.7
81.07041	10.8
82.06540	0.9
83.04970	100.0
85.06523	3.6
89.52490	0.5
91.05462	9.6
93.07029	10.0
95.04949	4.5
95.08606	4.9
97.02861	6.0
97.06526	1.2
99.04430	0.9
99.08069	1.5
100.07603	4.7
103.05445	3.9
105.03393	0.7
105.07017	13.7
107.04950	3.1
107.08587	6.5
109.06525	4.9
109.10161	1.1
116.95525	0.6
117.06990	3.6
119.08569	7.0
121.06533	4.3
121.10129	3.1
123.08052	3.9
125.09620	1.0
127.07515	2.7
131.04918	12.9
131.08571	6.9
133.06506	1.2
133.10117	9.3
135.08037	15.7
142.08693	0.7
143.08540	2.5
145.10083	4.4
149.05922	0.9
149.09621	5.4
149.13330	0.6
151.07587	1.0
151.11134	1.0
153.09059	5.1
157.10147	1.0
159.08041	1.4
161.09576	5.2
163.11096	0.7
165.09103	1.1
173.09683	1.0
173.13191	0.7
177.09113	1.3
179.10649	13.5
187.14886	1.1
205.15857	1.4
215.14297	6.3
215.51503	0.6
233.15378	5.2
274.17996	3.9
275.12851	1.4
292.19028	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1905
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.03947	0.5
55.05506	12.9
56.96558	0.8
57.33181	0.3
58.06592	32.2
59.70318	0.4
59.83795	0.4
60.04516	2.5
60.92424	0.4
61.64937	0.4
65.03945	0.4
67.05496	4.4
69.03415	5.2
69.07042	3.0
71.04964	3.2
79.05476	7.7
81.07035	8.9
82.06570	2.2
83.04967	100.0
91.05470	9.4
91.06014	0.8
93.07023	8.6
95.04932	3.4
95.08588	6.3
97.02872	7.9
97.06546	0.9
99.04446	0.8
100.07579	4.1
105.07014	15.1
107.04932	2.5
107.08582	8.2
109.02869	0.5
109.06500	3.4
109.10123	1.8
111.04459	0.5
112.07611	1.0
115.18735	0.4
117.07001	3.8
119.04896	0.6
119.08571	7.7
121.06500	3.9
121.10137	3.4
123.08035	3.8
123.11792	0.5
125.09589	1.0
128.06195	1.7
129.06984	2.0
131.08557	8.6
133.06447	1.9
133.10095	9.5
135.07071	0.7
135.08040	13.4
135.09059	0.5
137.09581	0.9
141.06902	0.5
142.08665	0.7
142.51039	0.4
143.08545	2.8
145.06470	0.4
145.10088	4.3
147.08031	0.6
147.11691	2.2
149.09624	4.7
151.07545	1.6
151.11156	0.7
153.09056	4.7
155.08495	0.8
157.10086	0.6
159.08008	3.1
159.11664	2.2
161.09560	5.7
161.13217	0.5
165.09070	1.7
173.09558	1.9
175.11221	0.6
177.09068	2.1
179.10640	12.6
187.14775	1.7
205.15877	1.0
215.14259	6.8
217.51859	0.4
233.15327	5.7
238.82097	0.4
269.58069	0.5
274.17972	4.6
292.19025	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27428	1.7
56.62619	1.8
64.20934	1.9
65.70392	1.9
92.08662	6.4
92.92064	2.4
101.03357	1.9
108.78878	2.5
143.01859	2.0
200.72522	3.0
256.92963	2.2
266.06818	2.2
293.06281	100.0
293.09430	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	293.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09804	0.6
53.03938	0.8
55.01870	1.5
55.22706	0.7
55.82550	0.6
57.03422	4.3
57.07071	6.2
59.04979	1.1
61.02908	4.8
66.44687	0.7
67.05144	1.2
67.05495	28.0
69.03423	6.3
69.07068	1.1
70.84704	0.6
71.04979	7.2
73.02905	0.9
81.03396	3.3
85.02896	34.0
85.06534	15.2
87.04433	0.9
87.04943	0.8
91.03928	0.7
95.04957	41.2
97.02886	9.4
99.04425	1.2
109.02908	2.8
113.05995	100.0
120.68147	0.7
127.03901	4.5
131.07019	36.8
135.47781	0.6
145.04947	4.6
161.07068	4.4
200.13882	0.8
247.23349	0.7
267.62888	0.8
293.11374	0.9
293.14807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.00297	3.3
53.03938	2.2
55.05507	26.9
56.39612	1.7
56.80368	1.4
56.96556	7.1
57.07072	37.6
58.06585	2.0
60.04497	9.7
67.05474	12.3
69.03378	2.3
69.07064	13.8
70.06573	37.1
71.04959	11.6
74.97569	1.7
79.05459	13.5
80.06249	3.3
81.07030	16.9
82.06567	3.3
82.45629	1.8
83.04954	11.0
83.08588	3.6
91.05450	16.9
93.07006	15.7
95.04935	8.2
95.08574	13.4
96.08153	2.3
97.06469	7.7
97.10133	7.6
100.07585	2.2
105.07021	23.8
107.04943	62.8
107.08591	18.8
109.06496	4.2
109.10152	4.7
111.04436	3.5
111.08057	1.9
117.07029	2.1
119.08584	17.5
121.06477	22.1
121.10106	4.8
123.08036	8.3
123.11709	2.4
124.07577	14.2
127.11174	3.9
131.08516	9.3
133.06451	2.4
133.10144	3.6
135.08009	8.0
145.06459	8.1
145.10086	24.4
147.08017	8.3
147.11607	6.7
149.05963	2.4
149.09590	2.3
152.10626	3.6
155.08540	3.4
159.07982	2.9
159.11626	3.6
161.09518	2.6
163.11168	56.9
164.10674	10.0
166.08627	3.3
173.09578	28.8
180.10172	67.5
187.11095	3.5
190.12178	3.6
191.10623	7.7
215.14290	51.4
232.16895	28.1
233.15260	4.3
236.16397	38.1
246.08836	1.7
250.17903	19.0
274.17932	12.3
275.20142	2.4
292.19040	100.0
292.22455	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	292.1904
Annotation	Dendroxine
Peak:m/z	Relative Intensity
55.05504	13.5
56.96548	1.0
57.38427	0.8
58.06304	1.2
58.06591	30.7
60.04506	1.8
67.05482	4.6
69.03404	4.5
69.07041	4.3
71.04976	4.7
74.69243	0.8
79.05480	7.2
81.03394	0.8
81.07047	9.1
82.06599	0.9
83.04966	100.0
89.32030	0.7
91.05465	10.1
91.08563	0.7
92.08640	0.9
93.07007	10.3
95.04941	3.9
95.08596	7.0
97.02866	7.7
100.07587	6.2
105.07010	14.7
107.04928	3.5
107.08574	8.2
109.06490	4.2
117.06998	4.2
119.08561	7.8
121.06476	3.5
121.10106	4.0
123.08032	3.2
129.06947	1.1
131.08517	9.2
133.06445	1.4
133.10147	5.7
135.08035	16.5
135.11617	0.9
143.08542	2.0
145.10107	4.6
147.11700	1.9
149.09578	4.5
151.11087	1.2
153.09108	3.9
157.10039	0.9
159.08060	1.5
159.11668	1.4
161.09583	4.5
173.09555	1.2
173.13206	3.1
177.09019	1.1
179.10670	13.0
187.14708	1.7
215.14262	7.6
233.15388	6.8
242.04921	0.9
274.17978	4.2
292.19034	50.2
292.27515	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	292.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68570	1.0
53.03915	1.1
54.81298	1.1
55.05282	1.3
55.05506	12.3
56.96566	2.5
58.06593	9.7
59.48406	1.0
60.04519	13.6
66.16621	1.2
67.05503	4.8
69.07072	1.7
71.04986	17.3
72.08160	10.0
73.06547	8.7
79.05486	5.3
81.07080	9.3
83.04969	16.6
85.02901	1.7
86.94387	1.0
88.60311	1.1
91.05486	5.4
93.07043	5.4
95.04955	1.8
95.08617	2.7
96.14276	1.1
97.06533	1.2
98.08244	1.0
100.07616	4.8
101.06029	7.1
105.07037	6.9
107.08618	1.3
112.07626	2.7
114.09151	2.6
119.08579	1.7
123.08057	7.3
131.08565	1.3
135.08054	1.5
138.49010	1.2
140.10713	1.9
142.08630	100.0
159.33292	1.3
209.72993	1.2
257.14569	1.3
260.13382	2.9
274.35141	1.3
292.15939	10.2
292.19153	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	292.1905
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.03928	1.0
55.05268	0.8
55.05509	12.8
56.96560	4.3
57.07066	0.5
58.06308	1.1
58.06592	31.1
60.04506	3.0
67.05482	4.3
69.03422	5.5
69.07048	3.4
71.04995	4.2
74.06052	0.6
75.12804	0.5
78.56927	0.7
79.05476	7.2
81.07030	7.0
82.06573	1.0
83.04966	100.0
88.07610	1.2
91.05460	8.4
93.07024	11.0
95.04949	4.5
95.08586	5.9
97.02869	8.0
97.06531	2.2
100.07593	5.8
100.11724	0.7
105.07025	13.1
107.04939	2.5
107.08563	7.5
109.06487	2.9
109.10110	0.6
111.04424	0.8
115.00687	0.6
117.06995	3.6
119.08552	6.1
121.06487	2.8
121.10107	3.5
123.08040	2.6
131.08549	7.7
133.06451	0.9
133.10103	9.3
135.08028	14.5
135.11639	0.9
137.09631	0.9
139.07480	1.5
143.08530	1.2
145.10089	5.1
147.11644	0.8
149.09604	5.0
151.11195	0.7
153.09070	4.7
159.08055	1.4
159.11630	0.6
161.09563	4.4
165.09062	0.7
173.13150	0.8
175.11098	0.8
175.14775	0.9
177.09084	0.9
179.10631	13.3
208.32164	0.7
215.14253	7.3
233.15346	6.5
274.17953	2.4
291.27127	0.8
292.19028	44.0
292.27298	0.9
301.43579	0.6
309.13766	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.00471	1.4
53.03938	3.0
55.05506	25.4
56.96550	2.8
57.07067	4.7
59.04981	1.7
65.03918	2.7
67.05492	38.1
69.07059	44.6
71.04980	2.0
71.08608	2.0
79.05470	52.2
80.29390	1.9
81.07037	98.8
83.08606	12.4
85.06538	4.1
91.05450	25.0
93.07026	100.0
94.43335	1.8
95.04962	8.9
95.08585	77.7
97.10160	4.1
98.97549	2.1
105.07019	37.0
107.08582	61.8
109.10133	30.1
111.11655	2.9
117.56174	2.1
119.08575	18.9
121.10121	42.3
123.11668	11.6
133.10095	22.8
135.11671	29.6
147.11656	12.8
149.13235	37.2
151.14806	2.0
161.13211	3.3
163.14807	13.9
165.12682	3.8
175.14851	2.3
189.16429	2.7
191.17912	2.0
209.39221	1.9
263.12494	3.7
273.25769	12.4
279.41333	1.8
291.15594	42.7
291.26794	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
52.60607	0.3
53.03942	5.2
55.01845	0.8
55.05513	3.9
56.43835	0.4
57.03407	1.1
57.07066	0.9
67.05146	0.9
67.05493	22.3
69.03404	0.9
69.07053	7.5
71.04979	8.1
77.03925	0.5
79.05473	9.9
81.03391	0.5
81.07042	20.5
83.04975	4.3
83.08594	0.5
84.47072	0.5
85.02898	2.6
85.06533	3.1
85.10158	0.5
91.05461	7.5
93.07028	6.0
95.04949	15.5
95.08593	2.3
97.06493	0.8
99.04445	0.8
102.25184	0.5
105.03376	100.0
105.04525	3.4
105.07015	16.1
105.07546	0.4
107.08575	12.8
109.06496	3.7
109.09392	1.1
109.10142	30.9
113.06000	0.6
123.04444	3.6
123.08057	0.7
123.11692	2.7
126.18105	0.5
127.07610	0.8
131.08595	0.6
133.10104	19.2
141.12694	0.7
151.11162	6.5
155.80876	0.5
169.12222	4.1
219.01244	0.5
250.90965	0.4
291.15802	2.5
291.19019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21030	5.7
55.05483	13.5
56.17744	6.1
57.07075	7.4
59.04993	75.0
60.15387	6.9
64.33237	7.1
67.05492	27.5
69.07050	38.2
79.05469	16.3
81.07053	60.0
83.04967	12.2
83.08611	9.4
84.74002	6.0
85.06538	12.6
85.51100	5.7
87.73438	5.6
91.05471	51.1
93.07027	100.0
95.04935	7.7
95.08579	57.7
99.08088	15.8
105.07034	72.4
107.08607	53.6
109.06468	11.4
109.10118	14.0
119.08555	87.8
121.06544	6.9
121.10144	38.2
131.08546	28.4
133.10114	63.8
135.11694	36.4
145.10107	31.6
147.11700	10.7
149.09567	13.8
149.13226	11.2
151.11203	8.7
159.11635	26.9
161.13264	10.3
173.13255	8.2
175.14777	72.4
177.16237	7.1
183.60817	6.4
201.16327	24.5
219.17410	11.1
231.17204	13.1
251.20006	6.9
259.16693	37.5
268.78546	6.5
273.18292	15.8
290.51913	6.5
291.19305	91.6
291.22617	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	291.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14239	0.4
55.05497	0.7
56.70001	0.5
56.96548	0.7
58.54294	0.5
62.48624	0.5
66.23776	0.6
67.67480	0.6
69.07047	0.7
69.56662	0.5
79.05478	0.7
81.07039	1.3
93.07035	2.7
95.04948	0.6
95.08574	2.5
102.75002	0.5
105.07011	2.3
107.08564	2.4
119.08469	0.7
131.08568	0.6
145.10077	0.7
149.09546	0.5
194.84653	0.6
198.04845	0.6
246.43921	0.7
246.67821	0.6
250.87234	0.7
259.16626	2.6
291.19260	100.0
310.56564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Colensenone
Peak:m/z	Relative Intensity
55.01865	2.2
55.05495	1.5
61.16707	1.0
67.05476	3.1
69.07035	5.5
71.04973	6.2
79.05475	2.8
81.07041	34.7
83.04958	1.7
91.05440	2.6
91.82848	1.4
93.07027	6.2
95.08559	2.0
96.55815	1.2
99.08077	100.0
105.07010	6.9
107.08582	8.0
109.06465	9.3
109.10164	5.1
111.31527	1.2
119.08562	6.4
121.10168	2.1
123.08041	1.4
123.11653	1.4
127.07536	64.4
135.11690	2.1
145.10114	4.7
147.11685	1.9
149.13220	1.7
159.11589	1.9
163.14784	2.4
187.14793	7.7
191.14359	1.8
213.16235	1.6
223.60954	1.4
255.21001	1.8
273.22043	2.8
291.23138	41.3
297.04227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33929	1.8
57.07064	19.8
57.39978	1.8
58.07394	1.9
61.82199	1.6
62.11595	1.7
70.06577	39.2
70.87891	2.0
71.06917	4.8
71.08601	2.9
88.07127	2.6
88.07619	51.4
89.07941	4.3
102.09180	28.7
103.09511	2.4
136.82343	2.0
149.74675	2.0
175.07281	100.0
228.23187	63.7
229.23592	35.5
259.13004	3.8
263.12524	2.7
272.25800	2.6
273.14511	2.9
290.26859	70.0
291.15683	40.4
291.27179	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
78.15701	2.8
79.05465	3.9
81.07040	5.3
84.79691	3.0
99.42914	3.3
121.02577	4.8
123.04163	64.8
123.64383	3.5
133.45610	3.5
151.07285	63.4
203.10435	16.0
209.28081	3.1
213.11743	3.4
291.15628	100.0
291.18665	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	291.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47137	0.9
65.12208	0.9
75.47588	1.0
78.03838	0.9
88.07587	0.9
91.05456	1.0
93.07011	1.2
151.44164	1.1
169.11026	1.0
187.07356	2.3
215.10385	2.5
241.12080	1.3
259.13010	100.0
273.14639	1.4
274.15112	1.3
281.31824	1.1
290.26877	1.3
291.15585	31.7
291.27216	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81664	4.5
57.07060	7.4
70.06583	20.0
71.06908	4.2
88.07611	22.4
102.09174	7.2
113.61912	4.3
123.04180	59.7
137.05743	28.1
177.08769	17.0
228.23201	34.4
229.23453	22.6
265.69043	4.5
290.26807	40.9
291.15643	100.0
291.27118	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	291.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.3
56.96551	16.6
57.07051	9.8
67.05481	16.3
67.61022	8.2
69.03419	12.3
69.07042	36.8
72.95146	7.6
79.05467	38.7
81.07056	78.6
83.85872	10.0
84.06349	7.8
88.07622	12.6
91.05466	43.2
93.07016	62.3
95.04935	16.8
95.08578	22.0
97.06493	9.0
105.03383	56.3
105.07024	48.5
107.08597	46.5
109.10107	8.7
117.06989	13.4
117.57171	9.0
119.08567	46.5
121.10101	9.1
131.08530	15.8
133.10114	21.2
135.04251	12.0
135.08073	9.8
135.11821	10.3
143.08530	16.2
145.10086	33.5
157.10091	13.4
158.39806	9.9
159.11671	10.4
165.08987	12.7
171.11632	15.5
173.13156	10.2
193.08330	100.0
197.13313	10.7
207.10121	9.3
242.24992	8.6
243.25069	10.0
247.82353	10.9
252.60387	9.4
290.29474	10.5
291.15643	66.2
291.18997	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	291.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
79.05453	18.7
81.07031	22.0
91.05442	11.6
92.09396	6.5
93.07036	24.2
95.08624	6.1
97.06530	5.2
101.78352	5.4
105.06997	24.1
107.08574	11.4
109.10165	7.7
119.08592	6.1
131.08496	9.4
164.57970	5.2
168.66721	4.9
188.66499	5.5
205.61986	4.9
255.29698	6.0
263.10352	12.0
291.13239	100.0
291.16370	6.6
291.18933	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67352	3.0
53.19019	3.3
54.20695	3.1
54.81628	5.2
55.05517	4.2
56.55958	2.8
56.96557	27.8
57.07064	3.7
58.89366	3.5
59.50834	3.8
67.05508	3.5
72.72885	3.9
79.05459	5.4
80.72041	3.6
81.07035	19.3
84.95975	4.3
85.06500	3.3
90.12898	3.6
91.05466	8.4
92.09342	8.4
93.07037	7.4
95.04861	3.6
95.08582	7.1
105.07015	17.0
107.08558	7.6
109.06490	5.6
119.08517	5.3
126.93436	3.5
131.08531	4.4
159.11626	3.7
259.13095	4.3
291.15817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
56.96555	30.5
58.28651	4.0
62.49860	4.2
67.05481	4.6
69.07057	4.9
71.04997	4.6
79.05476	6.8
81.07038	25.9
91.05496	5.7
92.09097	9.1
93.07050	17.4
94.32554	3.9
95.08609	8.5
105.07016	7.6
107.08611	6.7
119.08545	7.8
131.08623	4.5
139.03847	6.2
146.88045	5.0
173.85957	5.0
259.12909	7.0
291.15894	100.0
294.44534	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	291.1072
Annotation	Osmundalin
Peak:m/z	Relative Intensity
53.03924	0.6
53.31884	0.3
55.01866	0.6
55.05501	1.6
57.03427	13.0
59.17254	0.3
61.02917	3.6
67.05474	0.4
69.03421	6.0
69.88718	0.3
71.04947	0.3
73.02894	1.7
73.89697	0.4
74.37701	0.4
77.36749	0.4
81.03405	2.2
81.07063	0.5
81.51836	0.4
83.04967	6.8
85.02886	15.6
87.04430	1.5
93.07020	0.5
97.02863	5.5
99.04422	0.8
101.05997	13.8
106.14091	0.4
109.02863	2.1
111.04403	3.5
111.08044	0.7
114.66691	0.4
116.98604	0.6
117.34766	0.4
123.04400	2.7
127.03878	0.9
129.05452	100.0
130.08568	0.4
133.10287	0.5
134.99629	0.6
139.03842	3.0
143.77229	0.4
145.04956	0.7
147.04349	0.5
158.36377	0.4
172.22893	0.4
175.01781	0.7
213.10181	0.6
227.11102	0.5
289.61557	0.4
291.13452	0.8
301.79178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78214	0.4
55.01859	2.1
55.54451	0.4
63.65130	0.3
65.03923	1.4
67.05485	2.9
68.99776	2.7
77.03936	0.5
80.05909	0.3
83.04956	1.7
91.05447	2.2
93.03365	2.0
95.04938	4.2
97.02859	0.4
105.06983	0.5
107.04918	0.6
111.00813	0.5
111.04430	4.6
115.05432	1.7
119.04931	8.8
120.73309	0.4
121.02806	0.5
123.04402	66.7
127.03888	1.4
133.06461	1.7
135.04491	1.2
137.02327	0.9
137.05942	0.5
139.03880	100.0
143.04849	4.0
147.04387	24.2
151.03879	1.7
151.07542	0.7
151.85956	0.3
152.40314	0.4
153.05440	0.5
159.04346	0.6
161.05957	11.6
163.03902	0.8
165.05441	9.5
177.05437	1.6
179.06993	3.6
181.04948	0.5
189.05438	2.5
207.06491	6.6
273.07431	0.6
291.08551	4.9
292.23145	0.4
305.73407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01854	2.5
55.05491	3.8
56.96537	1.6
57.03428	1.6
57.16187	0.8
61.02903	1.4
67.05492	4.0
68.99770	1.9
69.03419	6.9
69.06716	1.5
69.07054	29.7
73.02857	1.2
79.05475	1.1
81.03398	4.9
81.07027	4.1
83.04967	2.5
85.02892	27.0
91.05443	5.0
93.07022	2.4
95.04935	6.4
95.08588	1.8
97.02856	5.4
98.58005	1.3
98.97559	2.0
105.07000	2.5
107.04898	1.6
107.08575	2.3
109.02842	2.4
109.06506	1.7
109.10152	1.4
111.04410	6.2
111.08040	5.3
111.11700	6.1
115.05389	1.3
119.04922	9.4
121.06487	5.0
123.04403	70.7
127.03907	3.9
127.11054	1.2
129.12764	2.0
139.03882	100.0
143.04883	3.8
147.04382	27.9
151.03845	1.9
151.07607	1.0
153.05360	1.1
161.05933	10.0
163.03955	1.3
165.05458	9.3
179.07101	3.4
189.05498	2.1
207.06487	7.8
229.87486	1.2
237.14861	1.4
255.15750	1.8
291.08560	6.0
291.15533	1.3
295.17569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.9
55.82434	0.5
56.46722	0.4
56.96549	2.1
57.07066	16.5
60.44626	0.4
67.05481	3.1
68.04992	0.7
69.03412	0.7
69.07047	4.8
70.06205	0.9
70.06580	26.2
71.04980	0.8
71.08609	2.9
73.02861	0.6
79.05464	2.6
81.07041	14.3
82.07361	0.6
83.04939	1.2
83.08596	2.2
84.08123	1.1
85.06555	0.6
85.10161	2.8
86.09701	0.8
86.35793	0.5
88.07616	25.4
91.05449	2.2
91.95239	0.5
93.07031	9.0
95.04960	2.1
95.08578	6.8
97.06498	1.0
101.05968	0.8
102.09151	1.9
102.55097	0.5
105.03342	0.6
105.07015	5.6
106.08632	4.2
107.08582	13.6
109.06533	1.7
109.10133	4.5
114.09136	8.3
117.06995	2.2
117.96104	0.5
118.08624	2.6
119.08536	5.1
120.08902	0.9
121.10087	4.8
123.08010	0.5
123.11693	0.9
125.09604	2.9
131.08539	4.5
132.10179	30.0
133.10114	2.3
135.08032	3.2
135.11638	2.6
137.09595	0.7
137.13232	5.8
145.06494	0.8
145.10068	1.0
147.11687	3.6
149.09595	1.0
149.13205	2.9
150.11238	25.1
153.09099	0.8
159.11705	0.8
161.13162	0.7
163.07515	0.9
163.14786	12.5
173.13240	3.4
177.09021	0.8
181.08546	7.2
181.15819	9.9
191.14314	5.0
195.10196	0.6
209.15352	2.3
214.21669	1.2
219.13750	0.8
228.23080	1.1
237.14796	13.2
246.24251	9.7
255.15834	6.3
290.14359	2.6
290.26843	100.0
291.15628	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81597	0.7
55.05495	1.0
57.07068	16.7
58.06583	3.1
70.06201	1.4
70.06577	32.3
71.08598	3.0
71.67335	0.7
72.08130	1.1
84.08127	0.9
85.10188	1.1
88.07616	45.6
102.09163	25.8
146.11707	1.1
175.07292	3.1
184.20671	1.3
228.23195	71.4
272.25858	5.5
290.26843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37746	1.6
54.48334	1.7
56.33105	2.0
56.96560	100.0
64.33297	1.9
67.81974	2.1
76.56310	2.0
84.96016	4.5
85.62437	2.1
86.47465	2.2
91.05507	2.0
92.09349	2.5
98.97555	59.7
112.10374	1.9
112.99091	3.9
116.98605	41.6
119.01875	5.2
124.99102	25.7
126.39179	2.3
127.00619	2.6
131.00252	2.5
131.01781	2.0
131.38371	2.3
134.99629	18.6
139.00624	2.6
141.02191	3.9
141.04907	2.1
143.00143	77.3
152.98566	5.2
153.00717	2.5
159.03246	5.1
161.01210	63.5
161.02611	4.1
167.00169	3.5
169.01721	9.8
170.99588	31.2
175.04517	3.2
179.02312	4.1
185.01216	20.9
187.02766	11.7
189.00676	47.3
189.02333	2.7
203.02231	23.1
205.00214	2.9
205.03816	2.8
207.01709	4.6
213.00713	14.8
231.01669	18.6
249.02721	25.3
267.03818	21.0
273.02594	3.0
285.04868	8.1
291.03717	23.1
309.04840	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	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03922	0.4
55.01857	2.3
65.03935	1.8
67.05471	2.0
68.99771	2.3
72.23235	0.5
83.04972	0.8
91.05464	2.2
93.03365	2.0
95.04936	3.8
97.02833	0.6
99.00851	0.6
111.04438	5.0
115.05419	2.6
119.04900	6.9
122.57219	0.5
123.04404	71.1
131.04866	0.6
133.06485	1.8
135.04385	1.1
137.02357	0.7
137.05952	0.7
139.03880	100.0
143.04890	4.5
147.04395	26.7
151.03922	1.2
153.05432	0.9
161.05957	12.7
161.07196	0.8
163.03844	1.9
165.05435	8.3
169.04939	0.5
177.05438	1.2
179.06996	3.5
189.05396	2.1
207.06534	6.5
291.08517	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	290.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.6
56.96558	5.4
59.04986	2.7
60.04514	2.4
62.01285	2.5
67.05488	10.9
69.03403	3.9
69.07052	16.0
71.04984	3.4
79.05482	5.6
81.03415	3.4
81.07053	20.1
83.04985	3.5
83.08604	3.4
85.06528	6.3
85.38845	2.7
88.93729	2.3
91.05464	13.9
92.09367	3.7
93.07017	31.1
95.04958	5.5
95.08585	31.7
97.02859	2.6
97.06512	4.4
97.10155	4.3
98.97570	19.9
105.07009	45.3
107.08575	34.0
108.04504	2.9
109.06568	3.5
109.10168	12.9
111.08089	3.0
116.98615	11.6
117.07028	12.1
119.08566	32.0
121.06484	3.2
121.10133	29.0
123.04433	4.3
131.08513	21.5
133.10152	12.1
134.99634	12.3
135.08017	3.6
135.11650	25.7
139.03889	12.5
145.10107	100.0
147.11705	17.5
149.13269	6.0
150.96843	3.7
157.10104	3.1
159.11667	93.0
161.13184	19.3
163.11176	24.1
163.14844	3.0
165.12772	3.0
173.13213	3.0
177.12701	14.3
177.29579	2.8
191.17924	25.9
201.16330	48.9
219.17398	70.7
237.18471	37.5
249.32111	3.0
255.19478	29.9
272.22162	5.5
273.12964	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18498	0.7
53.36231	0.7
53.50951	0.8
53.66510	0.7
54.82172	0.8
55.05493	0.8
56.05029	18.4
57.06809	0.8
57.07071	13.4
58.06593	8.7
60.04506	3.1
66.15086	0.7
67.48308	0.7
71.08617	6.4
74.06062	14.2
85.10168	1.6
86.06067	1.4
88.07613	82.9
89.22894	0.8
104.07083	0.9
118.08656	11.5
121.48528	0.8
122.08107	8.5
190.74451	0.7
242.24730	66.9
272.25885	3.6
290.26840	100.0
308.77841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86137	1.3
53.03930	1.9
55.01855	1.9
55.05501	8.1
56.96555	2.6
57.03420	2.1
65.03917	2.0
67.05480	19.3
68.99776	2.3
69.03430	1.3
69.07055	7.7
71.04975	2.8
77.03941	1.4
79.05476	9.8
81.07040	32.0
83.04963	6.3
83.08604	2.5
84.08143	1.7
85.02900	5.9
85.06540	3.6
91.05447	19.2
93.07024	22.0
95.04945	11.6
95.08591	37.4
97.06496	2.1
98.97572	3.0
99.04404	1.4
105.03305	2.1
105.07008	46.4
106.07308	1.8
107.04935	2.6
107.08566	39.5
109.06487	6.1
109.10131	16.0
111.04441	8.6
111.08064	2.2
112.14313	1.4
115.05389	2.3
116.98593	6.4
117.06989	8.5
119.04884	5.6
119.08565	33.8
121.06499	3.3
121.10124	18.1
123.04396	65.9
123.08058	5.8
123.11698	2.8
124.04752	19.8
131.08556	13.3
133.06520	2.2
133.10095	18.8
134.10440	1.9
134.99696	2.2
135.04362	2.9
135.08022	2.7
135.11644	12.0
136.04752	6.9
136.07520	2.8
137.05984	1.8
139.03880	68.8
139.04907	2.8
140.04222	6.2
143.04886	1.8
143.08517	1.9
145.10107	30.5
147.04390	12.8
147.11650	12.4
149.09558	1.6
151.03876	2.8
154.08601	5.5
157.10068	1.5
159.11658	28.8
161.05974	7.1
161.09608	2.9
161.13225	100.0
163.03891	1.7
163.11143	3.6
163.14764	2.4
164.04195	2.9
164.07037	28.2
165.05455	6.0
165.12761	2.2
173.13216	7.2
177.09253	1.4
179.06966	3.4
179.10680	1.9
179.14276	6.7
189.16318	12.6
191.10620	2.1
191.17979	2.4
201.16348	33.4
207.06505	3.4
219.17390	49.0
237.11110	1.9
237.18481	22.9
254.21057	5.8
255.12328	2.4
255.19473	3.1
272.22070	11.5
290.07422	5.4
290.14853	13.4
290.23343	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	290.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01856	7.7
55.05517	2.0
56.05061	2.0
56.96553	11.0
57.03424	10.8
59.05000	2.2
61.02913	11.1
66.10818	2.0
68.96093	1.7
69.03416	23.9
70.06567	4.3
71.04957	3.3
72.08155	3.5
73.02901	8.2
74.06051	3.3
76.51247	1.7
81.03410	10.6
82.06584	1.9
84.08149	3.7
85.02892	100.0
85.06510	1.9
86.09705	10.5
87.04436	2.4
88.03984	2.0
91.03941	7.5
97.02872	33.3
99.04453	9.5
99.71093	1.6
101.70180	1.8
109.02887	8.0
110.06042	3.8
127.03896	32.8
128.04250	12.4
128.07048	4.4
145.04938	27.0
147.03316	2.5
163.06004	3.8
180.08673	8.9
193.00317	2.2
209.71091	1.9
225.61720	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69561	1.0
53.03932	2.7
54.16824	1.1
55.01861	3.0
55.05488	1.3
56.96554	8.0
57.03422	7.2
61.02922	15.7
62.82947	1.0
64.15279	1.2
64.33314	1.5
67.05486	1.2
69.03423	24.0
70.06568	1.6
71.04973	6.0
72.08130	5.3
73.02896	7.3
74.06084	1.7
81.03423	9.9
83.01369	1.2
84.08109	2.3
85.02896	100.0
86.09698	9.2
87.04462	3.3
91.03935	6.1
93.07036	2.0
94.06570	1.7
95.04951	1.4
97.02885	27.7
98.97588	2.3
99.04441	5.2
101.02331	1.6
109.02861	10.0
110.06001	6.4
111.04356	1.5
121.67554	1.2
122.05967	1.4
127.03897	24.1
128.04225	10.1
128.07059	6.1
128.88501	1.3
135.04355	1.3
145.04944	24.0
147.03268	2.1
152.07072	1.7
163.06000	5.2
169.00238	1.8
180.08635	6.3
192.67725	1.3
194.03490	1.4
237.02925	1.5
290.12051	2.0
290.15671	2.0
292.85684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86137	1.3
53.03930	1.9
55.01855	1.9
55.05501	8.1
56.96555	2.6
57.03420	2.1
65.03917	2.0
67.05480	19.3
68.99776	2.3
69.03430	1.3
69.07055	7.7
71.04975	2.8
77.03941	1.4
79.05476	9.8
81.07040	32.0
83.04963	6.3
83.08604	2.5
84.08143	1.7
85.02900	5.9
85.06540	3.6
91.05447	19.2
93.07024	22.0
95.04945	11.6
95.08591	37.4
97.06496	2.1
98.97572	3.0
99.04404	1.4
105.03305	2.1
105.07008	46.4
106.07308	1.8
107.04935	2.6
107.08566	39.5
109.06487	6.1
109.10131	16.0
111.04441	8.6
111.08064	2.2
112.14313	1.4
115.05389	2.3
116.98593	6.4
117.06989	8.5
119.04884	5.6
119.08565	33.8
121.06499	3.3
121.10124	18.1
123.04396	65.9
123.08058	5.8
123.11698	2.8
124.04752	19.8
131.08556	13.3
133.06520	2.2
133.10095	18.8
134.10440	1.9
134.99696	2.2
135.04362	2.9
135.08022	2.7
135.11644	12.0
136.04752	6.9
136.07520	2.8
137.05984	1.8
139.03880	68.8
139.04907	2.8
140.04222	6.2
143.04886	1.8
143.08517	1.9
145.10107	30.5
147.04390	12.8
147.11650	12.4
149.09558	1.6
151.03876	2.8
154.08601	5.5
157.10068	1.5
159.11658	28.8
161.05974	7.1
161.09608	2.9
161.13225	100.0
163.03891	1.7
163.11143	3.6
163.14764	2.4
164.04195	2.9
164.07037	28.2
165.05455	6.0
165.12761	2.2
173.13216	7.2
177.09253	1.4
179.06966	3.4
179.10680	1.9
179.14276	6.7
189.16318	12.6
191.10620	2.1
191.17979	2.4
201.16348	33.4
207.06505	3.4
219.17390	49.0
237.11110	1.9
237.18481	22.9
254.21057	5.8
255.12328	2.4
255.19473	3.1
272.22070	11.5
290.07422	5.4
290.14853	13.4
290.23343	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49971	0.9
53.03943	1.3
55.01862	1.2
55.05508	13.6
57.03435	2.5
57.07058	2.3
59.04994	22.4
62.05184	0.9
65.03930	1.0
67.05492	17.3
69.03412	9.0
69.07051	10.3
71.04975	23.5
73.06544	2.1
79.05481	23.1
80.05804	1.6
81.07040	69.1
82.07381	2.1
83.04959	15.7
83.08553	3.3
85.02880	1.2
85.06536	7.1
87.04458	1.6
91.05456	24.8
92.05793	1.7
92.08940	1.5
93.06429	1.8
93.07018	49.7
94.07377	1.9
94.98383	1.2
95.04944	21.9
95.08583	18.1
97.06494	9.1
97.10147	1.7
99.04430	11.8
101.06021	4.2
105.07010	29.8
106.07346	1.9
107.04948	1.3
107.08573	39.4
108.08892	4.2
108.28102	1.1
109.06513	12.4
109.10137	20.6
111.04436	1.5
111.08069	4.4
113.05991	2.2
117.06979	11.1
119.08555	100.0
120.08868	2.0
121.06487	2.4
121.10112	26.5
123.04321	2.0
123.08043	4.8
123.11646	1.8
125.09576	2.5
129.07004	2.2
130.07797	2.5
131.08524	6.1
132.08838	1.4
133.10118	17.3
135.11667	19.4
137.09607	15.3
142.07793	1.5
143.08531	1.5
145.10095	22.9
147.11673	5.2
149.09589	4.7
149.13257	2.3
150.10027	1.2
151.11151	4.9
153.09117	1.2
155.10637	2.4
157.10068	2.1
159.11673	5.0
161.09590	1.5
161.13210	1.2
163.11153	24.9
167.10704	1.3
177.12692	1.5
181.12212	30.5
218.16151	1.3
235.16959	12.1
236.17339	1.3
253.17847	8.0
254.18311	1.3
289.13953	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	289.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
54.93222	0.9
55.01867	1.9
55.05513	14.5
59.04981	1.4
60.16954	0.8
65.03923	1.2
67.05502	14.5
69.03419	7.7
69.07054	10.7
71.04977	11.9
71.32811	0.9
73.06529	1.6
78.34324	0.9
79.05482	27.9
81.03400	5.7
81.07040	36.9
82.07957	0.8
83.04982	11.3
85.06517	1.5
86.06178	0.8
91.05465	44.6
92.09288	1.3
93.07027	79.0
95.04954	78.0
95.08578	10.7
96.21179	0.9
96.73728	1.0
97.06500	6.0
99.04429	2.2
103.05455	4.3
104.01190	1.0
105.07018	51.1
107.04945	9.3
107.08585	68.2
109.06518	12.9
109.10171	7.3
111.08079	3.9
115.05444	1.8
117.07019	25.4
119.08566	100.0
121.06501	10.8
121.10131	22.5
123.08060	4.1
123.11659	1.2
125.05972	1.2
125.09631	1.8
128.06335	1.0
129.07010	3.8
130.07785	12.0
131.08548	7.5
133.10121	17.4
135.08049	8.4
135.11664	19.2
136.54784	1.2
137.09590	7.9
140.19136	1.0
142.07678	1.1
143.08551	5.3
145.10118	35.4
147.08018	1.2
147.11676	5.4
149.09586	2.1
153.09102	4.0
157.10118	4.3
159.11589	2.2
161.09647	2.3
163.09789	2.1
163.11160	42.4
165.12706	1.5
173.13185	2.3
175.11125	1.2
175.14844	2.0
181.12202	12.5
184.04749	1.0
189.16386	6.0
193.52472	1.1
199.14824	1.3
217.12289	1.1
217.15865	11.2
235.16876	8.4
310.55234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
53.87262	0.8
55.01857	0.7
55.05507	7.8
59.04988	1.5
61.06062	0.7
67.01849	3.4
67.05498	7.6
68.33675	0.8
68.99765	0.9
69.03409	6.1
69.07054	5.7
71.04983	14.3
73.06539	6.3
77.03902	1.0
79.05489	13.2
80.05787	0.9
81.07041	50.4
82.07372	2.0
83.04968	19.1
89.03913	2.0
91.05462	17.9
92.05820	1.2
93.07034	16.1
94.07359	3.8
95.04948	12.6
95.08585	7.1
96.05280	4.6
97.06513	1.3
99.13381	0.9
105.07016	20.5
106.07349	1.3
107.08585	13.6
108.08896	1.2
109.06506	7.4
109.10160	8.4
111.04431	2.1
111.08080	4.9
117.03371	5.0
117.07006	8.3
119.08566	100.0
120.08902	1.9
121.06469	1.3
121.10099	7.6
123.04361	1.5
123.08044	3.3
125.09642	1.6
131.08502	3.7
133.10115	29.1
135.04391	11.9
135.11673	3.8
137.09630	3.6
145.02840	6.1
145.10123	12.6
147.11679	3.6
148.11986	1.9
149.09615	1.6
153.00562	2.1
153.01810	60.4
155.10667	6.6
157.10107	1.1
159.11682	1.5
163.03874	25.4
163.05139	1.3
163.11200	5.2
164.07018	1.5
167.10663	3.8
167.36937	1.1
171.02814	1.8
173.13240	1.1
178.58972	1.1
179.03401	1.7
181.12346	1.1
187.03874	0.9
196.14023	0.9
212.26653	0.9
217.15823	2.3
235.16914	19.3
253.18010	8.0
269.07861	1.0
289.07025	20.6
289.13965	1.0
289.25464	1.0
290.07095	1.2
290.58594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53591	1.4
53.00293	1.8
53.03919	3.0
54.81668	1.6
55.01858	1.8
55.05505	15.2
55.20518	1.4
56.08939	1.4
58.04534	1.5
59.04986	12.8
65.82793	1.5
67.05485	20.1
69.03400	11.8
69.07052	12.6
70.03931	1.9
71.04981	14.1
79.05478	33.4
81.03380	4.1
81.07038	46.7
83.04948	8.3
85.06532	2.5
91.05457	49.0
92.08685	2.3
93.07024	84.0
95.04939	71.7
95.08575	13.5
97.06496	3.7
99.04411	8.6
103.05473	2.7
105.07010	57.2
107.04924	13.7
107.08576	71.7
109.06502	13.7
109.10131	12.0
111.08115	3.1
115.05396	2.3
117.06998	26.0
119.08553	100.0
121.06486	12.5
121.10105	32.2
123.08028	2.7
125.09532	2.0
130.07747	10.1
131.08537	4.1
133.10088	20.7
135.07986	9.8
135.11655	21.2
137.09621	8.1
143.08530	3.6
145.10100	44.6
147.08075	2.1
147.11653	10.6
151.11179	3.6
153.09169	3.2
157.10152	3.0
159.11722	3.2
161.09724	2.3
163.11140	49.7
168.96393	1.8
177.12666	2.3
181.12187	14.9
189.12813	1.8
189.16365	3.4
199.14738	3.9
217.15852	9.4
235.16788	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	289.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03929	1.7
53.25994	0.9
54.13515	1.2
54.81272	1.1
55.01861	2.2
55.05500	11.8
59.04970	1.3
60.58027	1.1
61.21892	1.0
67.05486	12.2
69.03404	7.6
69.07051	9.8
70.88564	1.2
71.04977	10.4
73.06525	2.8
74.19701	1.2
79.05475	32.0
81.03394	5.1
81.07038	38.9
83.04948	5.6
85.06493	1.3
91.05461	42.4
93.07024	78.0
95.04948	83.6
95.08600	13.8
97.06501	1.6
99.04440	2.2
103.05482	1.7
105.06365	2.4
105.07018	43.3
107.04946	8.9
107.08577	62.6
109.06500	12.9
109.10135	6.8
111.08064	3.2
115.05411	2.9
117.07005	23.3
119.08560	100.0
121.06459	8.2
121.10117	25.5
123.08010	2.1
125.09614	1.7
129.06952	2.3
130.07758	9.1
131.08521	7.3
133.10080	17.0
135.08022	8.2
135.11661	19.0
137.09596	8.2
143.08545	4.8
145.10115	37.5
147.11632	2.1
153.09097	2.3
157.10052	2.2
161.09619	1.6
163.11157	39.5
167.10751	1.5
181.12164	13.9
189.16277	4.8
217.15800	8.7
235.16953	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	289.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.1
53.03935	4.8
55.01855	2.5
55.05513	17.5
57.03426	2.1
59.04986	12.7
67.05497	17.9
68.74318	1.1
69.03426	12.1
69.07059	12.6
71.04981	11.7
73.06531	5.4
78.83493	1.3
79.05058	2.2
79.05483	42.7
81.03394	8.2
81.07042	55.0
83.04962	8.8
83.08651	1.7
85.02936	1.1
85.06519	2.3
91.05471	51.0
93.07028	90.4
93.46893	1.2
93.48421	1.3
95.04955	79.8
95.08588	18.3
97.06509	9.5
99.04425	7.0
102.44856	1.4
103.05434	2.5
105.07018	63.1
107.04948	11.6
107.08579	78.0
109.06523	14.5
109.10134	11.6
111.08064	5.1
115.05432	4.6
117.07004	24.8
119.08564	100.0
121.06490	12.5
121.10132	25.5
123.08035	6.4
125.05946	1.3
125.09588	2.6
128.06224	1.3
129.06984	6.8
130.07784	10.7
131.08571	13.5
133.06398	1.2
133.10104	27.1
135.08037	12.1
135.11682	24.9
137.09572	8.2
142.07753	2.6
143.08534	7.3
144.09416	1.7
145.10121	41.6
147.11642	6.2
149.09584	1.8
151.11145	5.6
153.09171	4.9
157.10120	5.6
159.11639	6.6
161.09573	1.8
163.11156	40.3
170.69826	1.4
175.11168	1.4
175.14790	1.4
177.12692	2.0
181.12231	15.7
189.16377	4.9
193.19167	1.3
199.14757	2.3
217.15840	8.0
235.16833	11.7
253.17920	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	289.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43934	0.7
53.03931	2.0
54.36108	0.8
55.01866	1.3
55.05504	16.5
57.03424	1.1
57.07079	0.9
57.53216	0.8
57.57981	0.9
59.04981	4.0
59.17906	0.8
67.05486	15.8
69.03417	9.1
69.07049	10.1
71.04970	15.0
73.06521	2.0
79.05471	30.9
81.03397	7.5
81.07038	43.5
83.04969	8.3
83.08598	1.6
85.06490	0.9
89.79061	1.0
91.05456	50.4
92.09358	1.9
93.07020	85.3
95.04942	73.6
95.08586	14.5
97.06505	3.8
97.10159	1.5
99.04413	4.2
103.05442	4.0
105.07013	50.9
107.04940	21.1
107.08574	71.4
109.06500	14.4
109.10106	8.1
111.08060	2.1
115.05440	3.9
117.06989	28.2
119.08559	100.0
121.02758	1.2
121.06478	11.6
121.10108	25.0
122.04189	0.9
122.07250	1.2
123.08006	3.8
125.09592	2.2
129.06975	2.0
130.07751	8.9
131.08549	5.2
133.10109	19.3
135.08014	9.1
135.11670	21.9
137.09593	10.5
142.07755	1.1
143.08533	6.0
144.09270	1.3
145.10107	37.3
147.07980	1.5
147.11687	5.8
149.02327	6.8
149.09592	1.5
151.11200	1.6
153.01801	10.5
153.09084	5.5
157.10094	2.3
159.11630	1.6
161.09563	1.6
163.11140	44.8
171.77263	1.0
175.11163	1.6
181.12228	18.4
189.16403	4.8
199.14828	2.1
215.06967	6.6
217.15800	9.6
235.16931	7.0
243.06509	1.9
243.86020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01859	6.5
55.05509	11.8
55.05735	1.9
57.03428	1.7
59.04990	2.4
67.05489	23.8
69.03406	8.5
69.07056	27.5
71.01317	1.5
71.04981	18.2
74.95762	1.6
77.03867	1.4
79.05473	33.4
79.13368	1.5
80.83002	1.8
81.07036	76.6
83.04957	23.8
83.08601	9.3
85.02917	1.8
85.06516	10.2
85.74004	1.4
90.38792	1.8
91.05447	31.9
93.07019	100.0
95.04945	30.2
95.08582	39.1
97.06513	45.9
99.04423	20.5
101.06018	2.4
103.05456	2.2
105.07008	56.5
107.04926	8.4
107.08573	48.8
109.06487	40.4
109.10126	14.6
111.04423	2.1
111.08051	25.8
113.05984	3.8
113.35360	1.6
117.07000	3.7
119.08557	38.3
121.02911	1.7
121.05595	3.4
121.06477	93.2
121.10104	9.8
123.04398	2.6
123.08047	8.7
123.11692	13.5
125.05959	15.0
125.09636	1.9
127.07520	9.6
129.06964	3.9
131.08548	7.5
133.06464	6.9
133.10100	30.9
135.04398	3.9
135.08005	14.9
135.11697	2.8
137.05962	3.3
137.09589	2.2
137.13304	1.7
139.07498	29.0
142.07722	9.1
143.07040	2.5
143.08589	12.5
145.10124	14.7
147.08028	7.7
147.11668	65.1
149.09593	3.1
149.13251	2.4
151.11136	10.3
153.09137	2.1
156.09315	2.4
157.08609	8.1
157.10085	22.8
160.08763	1.8
161.13199	11.8
163.11162	2.2
165.12694	23.5
166.07726	3.6
169.12164	15.4
171.11664	24.1
173.09564	2.4
173.13254	2.2
175.11151	44.9
181.10075	3.4
189.12691	23.7
193.12204	26.7
199.11166	32.5
207.13721	15.1
211.13219	18.3
217.10379	2.2
217.12192	61.8
218.12604	2.3
229.14255	2.4
235.13231	54.1
236.13588	2.0
253.14291	31.0
271.15271	2.1
301.38553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94415	1.1
53.03929	1.7
54.96096	1.1
55.01863	7.8
55.05500	14.6
58.16097	1.2
60.10872	1.2
65.03921	1.7
67.05493	26.6
69.03413	3.6
69.07056	24.1
71.04974	21.6
73.06540	2.0
79.05051	2.4
79.05476	36.2
81.07039	79.4
82.93598	1.7
83.04962	36.2
83.08600	12.5
85.06525	19.6
91.05465	25.7
93.03419	1.4
93.07026	97.0
95.04948	28.6
95.08585	51.8
97.06514	41.6
99.04427	30.5
101.06017	3.0
105.07015	56.0
107.04941	12.1
107.08576	50.5
109.06499	42.7
109.10131	9.6
111.04415	2.0
111.08063	34.9
113.05956	10.7
117.06999	2.4
119.08562	33.1
119.63840	1.3
121.06482	100.0
121.10104	10.1
123.04417	6.4
123.08054	9.2
123.11663	19.6
125.05978	21.6
127.07533	10.2
129.07007	6.1
131.08574	8.5
133.06454	6.3
133.10100	33.7
133.11028	2.3
135.04408	6.1
135.08020	18.5
137.05931	6.5
137.09569	2.0
137.13182	1.8
139.07506	23.8
140.91194	1.4
141.07091	1.3
142.07790	3.1
143.07034	6.9
143.08562	12.6
145.10101	15.2
147.08025	7.0
147.11668	71.2
149.02306	2.4
149.09615	2.0
151.11162	9.7
153.01810	2.4
153.09128	1.5
156.09328	2.5
157.08607	6.0
157.10115	21.3
159.06485	6.7
161.13173	12.1
163.11104	2.2
165.06891	1.4
165.12704	23.8
166.07719	1.8
169.12192	25.8
169.75244	1.5
171.11694	14.2
175.11136	44.2
177.46205	1.4
180.52841	1.6
181.10030	7.2
189.12723	18.9
193.12213	33.6
196.80679	1.6
199.11145	31.7
202.92656	1.6
203.57661	1.5
207.13800	9.5
211.13264	25.3
215.07018	5.5
217.12202	67.2
229.14354	9.0
235.13239	59.9
253.14317	37.6
289.16769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.21170	0.4
53.03946	4.7
55.01864	1.1
57.03423	3.2
58.13436	0.3
61.02908	2.8
65.03909	3.3
66.53622	0.5
67.05482	1.7
69.03411	8.3
71.01321	0.8
71.04965	2.7
73.02896	1.0
79.05474	0.6
79.95219	0.5
81.03394	10.0
81.04527	1.7
83.04968	1.9
85.02413	0.8
85.02888	12.8
87.04481	0.7
91.05452	0.4
92.08782	0.5
93.03381	3.4
95.04932	2.3
97.02870	7.7
98.97569	0.4
99.04430	6.2
103.05469	0.8
107.04976	3.1
109.02868	13.8
111.04430	12.5
117.03363	0.8
123.04406	19.7
127.03893	100.0
131.04930	1.8
132.95796	0.7
135.04384	22.1
135.05388	0.9
137.02257	0.6
139.03883	11.3
145.04985	0.7
149.02274	1.8
151.03874	6.7
157.06125	0.5
163.03850	4.3
169.04964	0.4
174.96893	0.6
177.05460	0.7
179.03465	0.5
185.02753	0.4
186.07489	0.5
186.97116	0.5
187.07803	0.6
188.08022	1.1
193.04921	0.6
213.05496	0.5
223.06024	0.6
231.06479	0.7
235.06029	0.4
243.06493	0.5
259.05920	0.7
261.07581	0.5
271.05783	1.0
289.09500	0.7
289.12769	0.5
313.09064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86665	0.5
51.74746	0.4
53.03949	0.6
54.36555	0.3
55.01855	0.8
55.92483	0.3
56.96536	0.6
57.03423	1.8
61.02916	4.0
67.05496	0.7
67.64789	0.4
68.99777	0.6
69.03411	6.3
70.06565	1.0
71.04984	0.9
71.15598	0.4
73.02901	0.7
81.03399	6.3
81.60569	0.4
83.04961	2.8
85.02890	20.7
86.06049	0.5
92.08783	0.8
95.04957	0.7
97.02861	6.8
98.97594	0.6
99.04417	3.7
103.03931	1.6
109.02843	5.7
109.06499	0.7
111.00852	0.4
111.04430	0.9
112.02138	0.4
112.13503	0.4
116.98554	0.5
119.01904	0.6
123.04414	3.8
127.03889	100.0
135.04353	0.7
137.05988	1.0
139.03882	10.7
145.04839	1.3
146.08096	0.6
147.04375	0.5
151.03867	6.4
155.03322	0.6
156.87070	0.4
163.03851	2.3
165.05424	0.7
169.04881	5.2
175.11848	0.6
185.04172	0.5
193.04921	3.5
205.04906	0.6
223.06013	0.9
235.06007	0.8
289.08966	8.5
309.93533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	0.2
54.81387	0.2
55.01862	0.2
57.03426	0.5
59.87614	0.2
61.02906	0.9
66.04428	0.2
69.03416	3.2
73.02895	0.2
74.29523	0.2
81.03393	1.4
81.07027	0.4
85.02890	6.2
97.02857	1.9
109.02881	1.1
109.06512	0.4
127.03892	100.0
127.07484	1.6
130.01245	0.2
135.04402	0.2
145.04890	0.3
286.13181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02367	0.4
53.03922	0.5
55.01860	3.0
55.05494	0.7
55.68835	0.4
57.03401	0.4
61.59733	0.6
65.03938	1.8
67.05501	6.1
68.08362	0.4
68.99778	3.2
69.03423	0.5
69.07043	2.0
71.04982	0.7
77.03896	0.8
79.05479	3.1
79.83481	0.5
81.07027	2.1
82.59118	0.4
83.01324	1.1
83.04961	2.2
89.03902	2.4
91.05452	2.2
93.03374	1.9
93.07025	1.9
95.04959	10.5
95.08593	0.8
97.06535	0.5
103.05453	0.8
105.03369	3.1
105.07037	2.6
107.04938	3.0
107.08569	0.8
109.02887	0.5
111.00793	0.6
111.04440	5.6
117.03341	2.8
117.06966	0.5
119.08578	1.8
121.10124	0.7
123.04411	100.0
127.03858	0.9
129.01883	0.5
131.04901	3.3
135.04405	11.4
139.03886	27.9
141.06992	1.1
145.02849	3.9
149.02370	0.7
149.06010	0.9
151.03857	5.6
155.04881	0.6
159.04408	4.7
161.06055	0.4
163.03870	18.9
169.06480	1.0
171.04346	0.5
173.05954	0.9
177.05449	0.9
182.08502	0.7
183.04305	0.5
187.03891	2.2
197.05968	2.9
201.05487	0.5
205.05013	2.4
211.08649	0.7
212.52617	0.5
215.06990	0.7
225.05389	0.9
243.06445	1.0
245.04404	3.0
271.05823	0.7
289.07013	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	288.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72778	0.8
53.03939	0.9
55.05495	2.5
57.07064	4.2
59.72624	1.0
64.58363	0.9
66.01409	1.0
66.04694	1.2
67.05491	27.5
69.07048	13.5
74.37251	1.1
76.01595	1.0
79.05461	10.3
80.06248	2.3
81.07034	18.6
82.04124	1.4
82.07391	1.1
82.07813	7.7
83.08602	3.8
91.05461	4.9
92.06244	1.3
93.07014	23.6
94.03107	0.9
94.04159	4.9
94.07805	1.5
95.04338	1.1
95.04939	31.8
95.08587	17.3
96.09406	1.5
97.93730	1.0
101.44790	1.4
105.06995	4.9
107.04935	10.3
107.08578	37.1
108.05730	11.1
108.09370	4.3
109.06487	7.0
109.10147	40.1
117.06969	4.6
119.08554	6.1
121.06471	6.8
121.10111	4.8
122.07291	1.6
122.10925	9.7
123.08048	9.6
123.11686	39.0
127.65722	1.1
131.08521	4.2
133.10101	5.4
135.08025	41.8
135.11711	1.7
137.09610	1.6
137.13251	4.4
138.10425	8.7
138.14021	2.6
139.11124	1.2
140.11530	1.3
143.08530	1.4
145.10059	2.5
146.10411	1.9
147.11670	1.7
149.09610	39.6
150.10403	36.8
151.11180	15.9
153.09125	1.1
153.26949	1.1
157.10065	1.6
159.11728	1.3
161.13057	1.5
163.11128	6.9
164.11937	37.7
168.11450	1.3
175.11188	7.6
175.14764	1.7
177.12724	8.2
185.13193	1.1
186.13625	1.2
187.14871	1.9
188.15237	1.2
189.12666	5.4
191.14297	6.9
192.15047	2.3
203.14203	1.6
204.14604	1.2
206.16704	4.9
231.17302	3.8
246.19223	2.0
255.20900	1.2
270.23260	5.4
273.22116	2.6
288.24377	100.0
302.57471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
51.06415	0.4
53.03946	0.7
55.01854	0.9
55.05491	1.2
63.35689	0.4
63.42835	0.4
65.03922	2.2
67.01833	1.9
67.05489	1.9
68.32734	0.4
68.99783	4.5
69.03410	1.9
69.07043	1.0
71.04969	0.7
76.55711	0.5
79.05466	3.3
81.07034	3.8
83.01308	0.8
83.04951	1.1
83.13540	0.5
85.06548	1.0
91.05466	2.6
93.07018	2.4
95.04946	3.5
95.08575	2.2
97.02881	0.8
97.06509	1.7
99.04443	0.6
105.07015	2.4
107.04940	78.7
107.08588	2.9
109.06508	0.8
109.10134	1.2
111.04438	3.6
111.08007	0.6
117.06995	0.8
118.03952	0.5
119.04929	4.3
119.08539	2.6
121.02858	15.7
121.06482	1.8
121.10104	1.0
123.04349	1.0
123.08070	0.7
127.03876	0.5
131.04929	1.1
131.08553	1.7
133.10109	1.2
135.04375	7.4
139.03882	4.3
141.06966	5.4
144.05702	0.5
145.06488	0.7
145.10126	0.8
147.04379	1.8
147.08026	2.0
147.11668	0.9
149.02325	82.6
149.09518	0.8
153.01808	100.0
159.07970	1.0
159.11812	0.5
160.39340	0.5
163.03891	1.1
167.03349	9.6
169.06454	9.0
170.62476	0.5
173.05914	1.0
175.11081	0.6
187.03903	0.6
187.07475	1.9
195.02864	6.5
197.05930	8.5
215.07002	75.6
217.12299	1.0
225.05423	0.7
235.13347	0.9
235.16805	1.0
242.05606	3.4
243.06480	32.1
253.17885	0.6
271.05942	12.5
289.06955	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	288.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45055	0.4
53.03928	0.9
55.01864	1.2
55.05505	8.4
57.07049	0.6
59.04984	4.0
65.03920	0.7
67.05493	14.7
69.03410	2.2
69.07048	4.8
71.04977	12.6
73.06534	1.0
79.05476	8.2
79.35442	0.4
81.07038	13.6
82.65230	0.4
83.04967	6.6
83.08604	5.0
85.02930	0.4
85.06522	1.0
87.04446	0.8
91.05460	9.5
91.93402	0.5
92.07982	0.4
92.08890	0.9
92.72577	0.4
93.07023	27.9
95.04948	100.0
95.08586	10.6
96.13625	0.5
97.06511	6.2
97.10161	1.0
105.07024	10.0
107.08583	10.8
109.06496	4.2
109.10133	3.5
111.08073	6.3
112.39982	0.5
113.05981	0.9
113.09595	1.1
115.05434	0.5
117.07011	2.9
119.08559	9.8
121.06544	0.6
121.10124	11.6
123.08041	9.1
124.05197	2.3
125.05980	2.8
125.09618	2.3
131.08540	3.2
133.10121	4.4
135.08035	2.7
135.11662	1.1
137.09581	3.3
137.13295	0.7
139.11166	3.1
141.09093	1.0
145.10124	3.2
147.11679	3.0
149.09645	2.8
157.10110	1.1
159.10136	2.0
159.11641	1.0
161.09579	0.9
163.11171	7.2
165.12761	0.7
167.10646	40.1
173.13246	0.5
179.10663	1.0
183.13745	0.5
185.11702	12.4
199.19194	0.4
217.15851	1.2
225.69380	0.5
235.16879	5.1
253.17885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05285	1.5
55.05508	13.8
57.03428	1.3
57.07068	5.7
59.04989	2.4
65.03925	1.2
67.05484	10.6
69.07061	71.1
71.04982	49.3
71.38065	1.0
79.05479	30.2
81.07040	28.5
83.04976	2.3
83.08614	7.2
85.06538	32.4
91.05470	22.3
93.07031	73.8
94.07826	1.2
95.04959	6.8
95.08591	13.9
105.07026	22.7
107.08582	100.0
108.09397	4.7
109.06532	7.0
109.10159	2.3
111.08054	1.4
112.68887	1.1
119.08593	8.0
121.10136	53.1
123.08039	4.6
123.11684	8.4
131.08528	1.3
133.10139	7.3
135.11731	1.7
145.10112	4.5
149.13242	90.0
151.11160	2.1
195.16916	1.1
201.16490	1.5
229.59422	1.2
252.75923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77584	0.8
55.05513	8.6
57.07074	1.7
57.12358	0.7
59.04996	10.5
67.05495	19.0
69.03407	5.1
69.07068	8.6
71.04977	20.9
79.05479	11.4
81.07045	24.1
83.04967	6.2
83.08614	4.3
85.06544	2.1
87.04459	1.3
91.05473	10.4
93.07030	24.8
95.04954	100.0
95.08591	14.4
97.06506	12.2
97.10154	1.0
105.07014	20.5
107.08577	21.4
109.06519	7.1
109.10158	7.6
111.08075	3.9
113.05986	0.8
113.09660	1.3
117.06989	1.7
119.08553	15.8
121.10123	21.7
123.08047	11.6
124.05236	1.3
125.05953	3.9
125.09599	3.9
131.08542	12.9
133.10095	8.8
137.09567	4.0
137.13239	1.4
139.11166	4.9
141.09128	1.3
142.07808	1.6
143.10629	4.3
144.09319	1.0
145.10118	2.1
147.11659	4.4
149.09613	13.8
150.30952	1.2
157.10120	1.9
159.10152	3.5
159.11693	1.7
163.11157	2.1
165.12770	1.8
167.10654	35.8
175.11296	0.9
185.11720	9.3
235.16986	3.8
247.90869	1.0
253.17967	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	288.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85224	0.2
53.00301	0.2
53.03931	0.4
55.05263	0.4
55.05503	6.0
57.07045	0.5
58.98991	0.2
59.04990	4.3
60.82110	0.2
67.05491	6.0
69.03408	1.3
69.07053	3.7
71.04973	10.2
73.06526	0.3
74.66161	0.2
79.05463	4.7
81.07033	11.1
82.96327	0.3
83.04968	3.3
83.08600	3.8
85.06523	1.1
87.04418	0.4
91.05450	5.4
93.07016	16.1
95.04944	100.0
95.08580	6.1
97.06510	5.1
97.10153	0.5
105.07005	6.1
107.08569	9.4
109.06522	3.8
109.10141	4.2
111.08056	1.6
113.05991	2.1
113.09653	1.0
116.06249	0.5
117.07001	0.9
118.37743	0.3
119.08552	6.5
121.06448	0.3
121.08720	0.3
121.10121	8.3
123.08036	5.6
123.11681	0.6
124.05170	1.6
125.05969	1.2
125.09603	1.1
127.07533	0.4
129.07002	0.4
131.08530	4.8
133.10101	2.3
135.08023	0.6
135.11717	0.5
137.09595	1.0
137.13254	1.1
139.11176	1.2
141.09097	0.6
142.07774	0.3
142.89474	0.3
143.08531	0.5
145.10088	2.2
147.11690	2.0
149.09610	4.1
157.10129	0.3
159.10193	1.2
159.11684	1.5
163.11128	3.1
165.12723	2.0
167.10640	19.9
177.12775	0.3
183.13821	1.1
185.11688	17.5
189.16412	0.3
217.15857	1.0
233.02071	0.3
235.16850	1.8
242.04584	0.3
253.18054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81585	1.1
55.01870	1.2
55.05502	9.9
59.04994	5.3
67.05488	10.9
69.03413	2.2
69.07062	8.8
71.04974	17.0
73.06534	1.9
79.05466	6.7
81.07038	26.5
83.04970	2.5
83.08597	6.2
85.06557	1.5
91.05456	17.9
93.07028	40.7
95.04948	100.0
95.08590	12.9
97.06516	10.0
97.07059	1.2
105.07014	29.3
107.08568	27.7
109.06499	9.4
109.10147	13.6
111.08070	1.8
111.93733	1.1
113.06000	1.5
117.06992	1.7
119.08556	21.5
121.06499	2.5
121.10123	22.5
123.08064	13.3
123.11637	2.2
124.05173	1.2
125.06012	1.3
125.09592	2.7
129.06981	2.6
131.08525	20.6
133.10114	12.2
135.08026	1.9
135.11639	2.7
135.81084	1.1
137.40329	1.0
142.07811	2.3
143.08548	1.4
144.09367	1.1
145.10130	5.1
146.48575	1.5
147.08075	1.3
147.11697	12.2
149.09604	23.0
149.13248	6.1
151.11113	1.2
157.10097	9.5
159.11636	13.1
163.11162	2.8
165.12746	4.1
167.10651	16.6
175.11172	19.5
175.14766	4.9
177.12733	6.5
185.11684	19.2
189.12730	2.0
189.16364	8.6
217.15808	10.1
235.13135	1.8
235.16867	13.0
253.18068	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	288.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28040	1.1
53.00274	1.1
53.03938	12.9
54.82076	1.3
55.01869	2.2
55.05507	46.0
57.07059	6.3
59.04990	5.1
65.03919	3.1
67.05144	2.0
67.05492	42.4
69.03417	14.2
69.07053	37.9
71.04980	33.5
72.15263	1.1
73.06546	1.1
74.05986	1.3
77.03886	1.4
77.56087	1.1
79.05468	40.2
81.03390	2.3
81.07037	46.5
83.04962	22.2
83.08585	1.9
84.05747	11.4
84.08143	3.0
85.06526	61.2
87.04462	1.1
91.05462	76.3
93.07022	100.0
95.04945	36.8
95.08587	28.1
97.06509	6.1
99.04456	1.7
99.08076	2.9
101.05988	4.7
103.05458	2.4
104.13806	1.3
105.04494	5.5
105.07012	45.9
107.08578	59.7
109.06504	11.8
109.10143	7.3
111.08060	1.7
115.05459	6.7
117.07005	8.7
119.08559	26.8
121.06477	1.8
121.10118	22.5
121.96252	1.2
123.08022	2.4
123.11681	1.8
129.06990	5.8
130.07719	4.9
131.08545	10.1
133.10095	7.2
135.07976	1.3
135.11717	2.8
137.09586	6.6
143.08551	2.3
145.10078	10.6
147.08058	1.3
149.13225	11.0
153.91542	1.2
163.11128	1.9
174.75963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
54.81956	1.6
55.05507	64.1
56.81791	1.7
57.03428	2.5
57.07067	3.8
59.04998	16.6
61.12777	1.6
67.05491	18.3
69.03397	2.9
69.07068	18.2
71.04975	100.0
73.06563	2.7
79.05477	25.8
81.07044	53.9
83.04980	2.3
83.08607	40.0
84.87784	1.7
85.06535	4.1
89.34200	1.5
91.05458	26.4
93.07027	71.8
93.56613	2.0
95.04953	31.1
95.08588	45.2
97.06496	3.0
105.07026	27.1
107.08589	39.5
109.06485	17.0
109.10136	3.3
111.08060	17.2
113.05975	1.9
116.06210	1.9
117.06973	7.7
119.08558	20.1
121.10136	8.1
123.08035	22.6
123.11710	4.0
125.09608	3.2
131.08482	1.9
137.13232	11.9
145.10068	4.3
147.11641	9.3
149.09599	2.6
154.91501	2.2
163.12595	2.0
165.12723	95.2
167.10629	3.7
196.18376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68306	1.8
53.03929	2.5
53.36729	1.8
54.23166	1.9
55.01863	2.6
55.05506	13.2
56.95262	1.8
57.03429	3.4
57.07056	3.5
59.04995	13.2
59.39100	2.2
67.05486	26.8
69.03419	9.5
69.07058	17.6
71.04968	4.9
77.03935	2.1
79.05470	30.1
81.03378	3.7
81.07040	56.1
81.07482	3.9
82.07389	2.9
83.04985	13.0
83.08594	3.9
85.02900	4.4
85.06499	2.1
88.73795	2.2
91.05468	70.5
92.05798	2.3
92.09238	3.8
93.07029	57.4
95.04942	19.2
95.08582	38.7
96.05298	2.8
97.06511	15.4
99.04430	10.1
105.07013	100.0
106.07334	2.5
107.04949	10.6
107.08576	43.6
108.08938	3.0
109.06499	8.8
109.10160	19.9
111.04443	11.2
111.08087	3.8
117.06993	32.3
119.08549	55.9
120.08917	2.4
121.06480	4.7
121.10128	20.8
122.10500	4.3
123.04412	40.1
123.08074	9.7
125.06008	4.9
128.06206	12.7
129.06999	26.2
131.08557	57.0
132.08884	3.1
133.06442	4.5
133.10104	54.2
135.04404	14.5
135.08011	5.2
135.11684	13.0
135.43913	2.2
137.09639	4.8
139.03902	15.6
141.06981	3.5
142.07770	24.3
143.08554	59.6
145.10103	37.6
147.08095	4.1
147.11668	34.2
149.09583	4.1
149.13237	5.7
155.08519	4.1
156.09323	2.7
157.10106	66.7
158.10828	2.6
159.11659	33.6
161.09589	12.6
161.13271	15.5
163.03874	3.6
171.11678	17.5
173.13264	11.9
175.11195	12.2
175.14854	11.1
177.12727	9.2
179.10660	4.9
184.12390	3.1
187.14832	10.5
189.12697	3.3
189.16393	15.8
199.14796	55.6
217.12405	3.1
217.15845	60.9
222.15695	4.1
234.15747	2.4
235.13326	4.9
235.16905	36.9
253.17857	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	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14965	1.5
54.82001	1.7
55.05504	7.7
56.15286	1.6
56.27402	1.6
57.07064	2.4
58.70171	1.6
59.04969	2.8
61.02850	1.6
67.05484	8.9
69.03408	2.5
69.07047	17.1
71.04974	4.6
79.05457	8.0
81.07028	26.2
82.07330	1.6
83.04976	8.9
83.08590	2.7
85.06487	3.0
91.05455	17.2
93.07024	58.7
95.04955	14.7
95.08592	25.1
97.06497	11.3
101.05985	4.2
105.07014	100.0
106.07344	2.7
106.79754	1.6
107.08580	39.5
109.06490	10.5
109.10146	27.1
111.08052	4.0
117.07020	2.4
119.08555	32.2
121.06493	2.0
121.10129	17.9
123.08054	8.1
123.11692	4.0
129.06955	2.2
131.08524	17.2
133.10101	47.0
135.08003	2.4
135.11682	8.5
137.09612	2.7
142.07726	20.0
143.08536	7.1
145.10066	7.7
146.10851	2.2
147.11679	50.5
149.09769	2.4
149.13232	40.8
151.11162	10.5
157.10088	46.4
159.11671	7.3
161.09581	10.7
161.13263	8.6
165.09030	2.3
165.98120	2.1
169.08585	10.2
171.11687	2.4
173.13242	2.3
175.11139	61.3
177.12633	2.2
179.10629	9.1
189.16345	57.4
197.11720	10.0
199.14816	11.5
207.17311	7.1
217.15840	18.8
225.18593	2.3
235.16962	16.0
252.16959	1.8
252.19638	1.7
253.17952	57.6
282.06302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.8
53.03942	6.3
55.01871	1.5
55.05503	11.3
56.74578	1.0
56.74883	0.7
57.07072	100.0
60.41153	0.8
65.03910	1.0
67.05492	19.3
69.03394	1.1
69.07053	1.9
71.04596	0.8
71.04979	6.8
73.46143	1.0
79.05480	12.1
81.03426	7.3
81.07047	21.6
83.04971	1.5
85.06535	41.4
88.03581	0.8
91.05462	32.0
93.07029	37.2
95.04957	16.8
95.08595	35.2
95.09196	1.1
97.06490	0.9
104.65244	1.0
105.04485	1.3
105.07029	16.3
107.08591	14.7
109.06511	6.2
109.10123	1.6
111.08112	1.3
117.07008	1.7
119.08558	4.0
123.08018	1.0
131.08498	1.0
133.10103	3.9
135.08061	1.6
143.27710	1.0
145.10083	0.9
146.01482	1.0
149.13206	1.0
151.11201	1.7
167.14313	1.3
175.14793	1.1
180.53966	0.8
222.22179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.3
57.03422	2.8
59.04977	13.1
67.05498	39.2
69.03403	5.3
69.07062	23.6
71.04971	12.7
75.04457	4.2
79.05121	2.4
79.05479	38.2
80.05812	2.7
81.07036	59.1
82.07372	4.6
83.04968	18.0
85.02864	4.2
85.06507	5.8
87.90152	2.5
91.05457	90.1
92.05781	4.6
93.07027	50.6
94.07339	5.0
95.04943	17.3
95.08578	35.7
96.05273	4.5
96.08929	2.9
97.06496	11.6
98.97576	2.4
99.04425	3.6
103.05447	2.6
105.07018	100.0
106.07366	5.9
107.04955	20.0
107.08578	44.4
108.08926	2.7
109.06507	9.4
109.10139	23.2
111.08105	2.6
112.20462	2.5
115.05453	3.5
115.21401	2.4
117.07006	38.4
119.08557	67.8
120.08892	4.9
120.27740	2.3
121.06468	30.0
121.10117	19.2
123.04397	3.7
123.08047	4.6
125.09623	3.1
128.06197	15.3
129.06996	30.1
130.07785	3.0
131.08551	56.5
133.06453	2.9
133.10114	72.4
134.10379	2.8
135.08038	10.0
135.11661	12.9
137.05960	4.5
137.09631	3.0
142.07799	20.8
143.08569	37.9
144.09331	3.8
145.10107	41.4
147.08012	5.7
147.11682	31.3
149.09616	9.4
149.13226	4.4
155.08524	2.5
156.09296	5.1
157.10117	45.9
159.11676	53.7
161.05969	54.0
161.09589	40.7
161.13268	6.0
163.07542	11.6
163.11198	3.6
171.11650	10.4
173.13268	11.5
175.11122	9.1
175.14841	8.2
177.12706	10.9
179.06999	13.7
187.14786	3.1
189.09061	25.2
189.16371	23.7
199.14806	52.1
201.34651	2.6
205.15846	3.4
207.10110	34.3
216.14616	3.0
217.15829	50.9
235.16924	16.0
271.11563	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	288.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61627	1.9
53.99802	1.6
55.01860	2.1
55.05513	20.3
56.96556	2.6
57.07063	16.4
59.04982	9.4
59.28868	1.8
67.05499	28.6
69.07059	47.4
71.04985	35.7
79.05479	21.4
81.07046	79.2
83.04928	3.6
83.08609	12.7
85.06516	3.7
91.05467	41.5
93.07033	100.0
95.04947	16.4
95.08598	54.3
97.06522	10.3
100.72803	2.4
105.07027	49.7
107.08588	77.5
109.06517	12.5
109.10154	32.1
111.08060	20.9
117.06996	4.7
119.08578	34.1
121.06511	8.4
121.10142	28.0
123.08060	4.3
123.11684	19.1
125.09604	4.9
126.31743	2.1
131.08554	13.7
133.10120	34.1
135.08014	3.9
135.11635	2.4
137.13217	3.7
144.09363	2.5
145.10127	5.0
147.11655	19.8
149.13246	42.4
151.11189	2.5
157.10100	8.2
159.11670	14.6
161.09534	2.2
167.14323	8.6
177.12842	7.5
189.16383	9.7
207.17465	4.1
231.25203	2.7
238.29588	2.3
287.31366	4.7
288.28970	7.9
294.54800	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13115	1.7
50.44358	1.6
53.03926	3.8
55.05498	11.4
57.07069	16.4
59.04998	2.1
62.68382	1.6
65.57906	1.7
67.05486	21.4
69.03407	3.3
69.07050	18.8
74.83081	2.0
79.05479	27.0
81.07040	100.0
83.08611	16.9
85.06519	11.2
91.05459	13.2
93.07027	50.1
95.04941	7.9
95.08585	25.5
97.06503	11.9
97.52368	2.0
105.07006	29.2
107.08572	31.8
109.06484	4.7
109.10146	46.5
111.08057	11.6
119.08567	30.3
121.10141	17.1
123.08020	4.6
123.11697	3.5
131.08540	7.7
133.10123	12.4
135.11673	11.4
137.09608	22.0
138.10382	8.5
145.10077	13.0
147.11653	23.1
149.13248	3.8
151.11136	2.3
155.10677	8.9
159.11679	12.9
161.13208	10.3
163.11188	17.5
175.14809	3.9
176.95711	2.1
177.12617	2.4
192.47496	1.8
201.16379	14.1
219.17409	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.00042	0.9
55.01862	1.3
55.05505	13.5
57.03436	2.0
57.07069	10.3
59.04990	1.8
63.14814	0.9
64.34021	1.1
65.03945	1.1
67.05498	26.6
69.03418	7.9
69.07057	18.8
71.04972	5.5
79.05048	1.7
79.05473	26.3
81.07040	100.0
83.04969	2.1
83.08609	20.7
85.06520	7.0
91.05468	18.9
93.07027	51.9
95.04955	8.2
95.08585	25.2
97.06497	10.4
97.39690	0.9
105.04501	1.0
105.07016	23.5
107.08575	28.2
109.06516	14.6
109.10149	43.0
111.08051	9.4
117.06993	5.4
119.08575	28.1
121.06465	2.1
121.10129	14.8
123.08044	5.4
123.11669	4.5
130.07761	1.5
131.08537	6.1
133.10112	8.5
135.11688	11.7
137.09584	29.5
138.10379	6.8
139.11169	1.7
144.09348	1.2
145.10049	9.8
147.11665	20.1
149.09586	2.2
149.13231	1.2
151.11209	11.9
155.10637	13.1
159.11676	10.6
161.13197	9.0
163.11131	13.0
177.12714	1.5
179.14293	4.1
191.17860	1.3
201.16367	10.6
219.17436	38.1
237.18401	1.9
237.25972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.6
55.01858	2.0
55.05505	18.9
57.07056	6.8
59.04991	100.0
65.03908	1.2
67.05492	11.6
69.03410	4.7
69.07046	4.5
71.04977	50.4
71.05373	1.9
72.15400	1.1
73.06522	6.5
77.03909	1.5
79.05474	18.7
81.07037	19.1
83.04960	7.2
83.08582	6.9
85.06523	16.1
91.05463	39.5
91.83170	1.3
93.06493	1.8
93.07027	39.8
95.04946	19.5
95.08572	8.3
97.06532	2.1
97.10122	10.2
99.04414	1.3
105.04476	2.7
105.07024	15.4
106.72141	1.2
107.08572	35.9
109.06477	4.6
109.10132	2.1
110.79102	1.3
110.96626	1.2
117.06997	5.2
119.08555	7.8
119.83094	1.0
121.10117	6.1
125.09611	22.8
125.78168	1.2
131.08511	2.7
133.10062	2.4
142.07784	1.1
143.10646	16.7
145.10120	1.9
149.09619	1.9
230.06975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67778	1.2
55.05500	8.5
56.96548	2.2
57.03426	1.4
57.07065	2.4
59.05005	1.5
60.56903	1.4
63.95103	1.5
67.05490	8.7
69.03407	2.0
69.07054	18.9
71.04974	3.7
79.05470	8.2
81.07026	26.8
83.04953	2.6
83.08588	2.7
84.04547	1.8
84.08112	1.4
85.02861	2.4
91.05462	16.0
93.06430	1.9
93.07021	55.3
95.04961	2.6
95.08588	23.6
97.06480	3.7
98.36473	1.8
99.08105	1.7
101.05986	8.8
105.07014	100.0
106.06532	3.5
107.04926	2.3
107.08574	40.0
109.06535	2.8
109.10137	24.0
111.04443	3.0
115.07531	2.9
117.06998	1.8
117.71323	1.6
119.08552	40.0
121.06506	1.8
121.10115	23.8
123.04375	1.9
123.08023	8.6
123.11639	2.4
125.09610	6.1
129.05482	3.2
129.06972	6.7
131.08543	18.9
133.10110	56.1
135.04393	2.1
135.08096	1.6
135.11661	9.4
137.09570	2.2
141.09074	2.4
142.07764	23.8
143.07010	1.9
143.08533	2.7
145.10109	9.4
146.10934	3.0
147.08000	3.5
147.11667	48.9
149.13229	45.3
151.11145	9.7
156.09331	1.7
157.10112	56.7
159.11629	14.0
161.09572	16.5
161.13232	10.9
163.08070	2.2
165.09067	2.9
169.08571	9.9
171.11655	7.1
173.13148	2.0
175.11142	66.7
175.14764	11.2
177.12714	1.9
179.10640	7.8
181.86545	1.8
189.16347	78.4
193.15831	9.0
195.64531	1.7
197.11674	11.6
199.14798	17.9
207.17390	9.3
210.55330	1.9
217.15837	36.6
235.16844	34.2
245.40834	1.5
253.17894	45.5
290.03659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.01122	0.8
55.05509	11.3
56.96545	1.3
57.03422	1.1
57.07062	2.2
59.04996	12.9
62.49120	0.9
67.05505	13.4
69.03424	5.6
69.07059	11.4
71.04982	22.8
73.06536	7.8
79.05479	16.0
81.07043	37.0
83.04974	24.1
83.08589	1.7
85.06545	3.9
91.05465	23.6
93.07030	47.8
95.04964	9.6
95.08588	19.4
97.06522	11.4
99.08067	2.2
101.05987	1.9
105.07024	25.7
107.08585	53.0
107.58687	0.9
109.06523	6.1
109.10145	16.1
110.10439	1.2
111.08061	1.6
117.07025	9.1
119.08569	100.0
121.10104	10.3
123.11664	5.3
127.11198	1.1
131.08557	5.8
133.10104	33.2
134.80312	1.0
135.08054	1.7
135.11656	16.6
136.66386	0.9
137.09642	4.5
142.73819	1.0
143.08582	1.9
145.10127	8.8
147.11655	4.6
149.09633	5.1
149.13249	6.1
151.11177	1.8
153.12714	5.4
155.10675	5.8
157.10115	4.9
159.11696	1.3
161.13298	1.4
163.11179	5.1
167.10629	4.2
167.14331	1.2
175.11147	1.0
217.15895	5.5
217.87161	1.1
235.16891	24.4
253.17921	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2366
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
55.05498	25.4
57.07070	7.7
57.30429	3.6
59.04993	7.2
63.97811	4.5
67.05482	36.8
69.03417	6.3
69.07052	65.9
71.04979	9.6
79.05474	43.3
81.07038	78.4
83.04964	5.2
83.08614	18.7
85.06520	4.7
91.05456	28.9
91.94268	4.1
93.07018	73.7
95.04953	8.4
95.08595	84.1
97.10166	4.7
104.39668	5.2
105.07013	82.4
107.08567	62.6
109.10152	53.5
111.08084	4.6
112.75597	3.8
116.02202	5.1
117.06995	20.2
119.08557	72.1
121.06441	6.1
121.10123	46.4
123.11676	22.6
129.06985	21.1
130.07715	5.0
131.08549	55.3
133.10077	52.0
135.08008	5.5
135.11661	24.8
137.13252	5.2
143.08559	39.9
145.10117	47.8
147.11662	62.1
149.09566	7.5
149.13258	30.0
156.09375	5.7
157.10103	45.5
159.11661	27.2
160.89958	4.7
161.13242	28.3
163.14748	19.1
165.12709	7.6
170.10883	5.1
171.11708	23.5
173.13260	24.6
175.14769	7.4
177.16290	7.7
185.13191	31.7
187.14763	19.7
189.16335	17.7
199.14807	23.5
201.16356	27.5
203.17961	7.8
213.16245	30.8
227.17862	8.6
229.19576	4.9
241.19478	8.7
259.20462	34.9
259.24155	21.4
269.17535	4.8
269.22614	51.4
287.23618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01862	1.2
55.05496	0.5
57.03420	2.3
59.04981	0.4
61.02921	2.3
65.03924	1.4
67.05490	0.7
68.05819	0.3
69.03415	7.2
69.07048	0.5
71.04970	1.3
73.02893	1.0
74.77666	0.2
79.05478	1.5
81.03394	2.5
81.07048	2.8
82.07372	0.6
83.04955	0.6
85.02890	25.6
87.04451	0.6
91.05462	100.0
92.05779	0.6
93.07026	2.6
94.07346	0.5
95.04937	1.3
95.08574	1.2
96.05303	0.4
96.08907	0.3
97.02873	14.8
97.03495	0.5
99.04443	1.2
105.07020	3.0
106.07369	0.5
107.08591	1.5
108.08952	0.4
109.02869	1.8
109.06511	0.6
111.08052	0.5
115.03909	0.6
117.07014	1.4
119.08557	2.1
120.08910	0.6
121.06483	0.5
123.08022	0.5
127.03889	2.6
129.06967	1.2
131.08537	1.3
132.08894	0.5
133.06514	0.5
133.10118	0.7
134.10435	0.4
143.08559	1.2
145.04973	3.6
145.06499	0.3
145.10101	0.6
146.10391	0.4
147.08054	0.4
147.11716	0.3
149.09616	0.4
153.06871	0.4
157.06490	0.5
161.04471	0.6
163.05942	0.6
163.11127	0.4
171.08066	0.5
175.07607	0.3
180.08627	0.4
211.59366	0.3
215.14333	0.4
217.08586	1.2
234.15753	0.3
235.09760	0.3
266.88538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01860	1.3
55.05507	0.6
57.03428	2.3
59.04978	0.4
61.02916	2.8
65.03921	0.5
67.05495	1.0
69.03419	7.2
69.07055	0.5
70.03738	0.3
71.04968	1.2
72.08137	0.4
73.02900	1.2
75.04462	0.3
79.05478	1.3
81.03397	2.5
81.07041	2.9
82.07363	0.3
83.04965	1.0
85.02895	24.9
87.04475	1.0
90.16115	0.2
91.05465	100.0
93.07021	2.5
94.07349	1.2
95.04952	1.5
95.08586	1.4
96.05302	0.3
97.02876	14.6
97.06533	0.3
98.34834	0.2
99.04436	1.0
101.02370	0.3
103.03906	0.4
105.07017	3.2
106.07344	0.5
107.08588	1.6
108.08939	0.3
109.02885	1.6
109.06528	0.5
110.06931	0.2
111.08067	0.2
115.03924	1.1
117.07008	1.6
119.08548	2.1
120.08923	0.5
121.06503	0.3
121.10150	0.4
123.08065	0.5
127.03912	3.5
128.06223	0.9
129.07019	1.2
131.08569	1.1
132.08885	0.6
133.06516	0.5
133.10118	0.3
135.08018	0.5
135.11646	0.3
142.07709	0.3
143.08551	1.6
145.04942	3.5
145.06543	0.5
145.10066	0.4
147.11720	0.4
149.09659	0.3
153.07010	0.3
157.06564	0.2
157.10109	0.4
159.07988	0.3
159.11649	0.3
161.04424	0.5
163.05994	1.4
171.08052	0.5
175.07549	0.4
180.08623	0.3
186.80933	0.3
212.67865	0.3
217.08604	1.2
218.19560	0.3
234.15598	0.5
235.09763	0.3
245.72641	0.3
253.10692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03934	1.5
55.05505	12.0
57.07053	7.7
59.04980	1.1
67.05482	12.5
69.03400	2.2
69.07061	25.2
71.04980	1.7
79.05105	1.3
79.05476	17.8
80.20251	1.1
81.07040	51.6
83.04964	2.7
83.08617	4.5
85.06517	1.8
91.05470	27.5
93.07024	29.9
95.04940	5.7
95.08581	58.3
97.10120	1.7
103.05473	1.9
105.07011	36.2
107.05000	1.1
107.08585	39.2
109.06517	2.4
109.10132	16.8
115.05412	2.7
116.06218	1.3
117.07008	20.5
119.08556	21.0
121.06482	2.1
121.10117	28.8
123.08030	4.6
123.11691	10.5
129.06990	8.1
130.07759	12.1
131.08540	53.9
133.10112	16.6
135.08014	15.7
135.11707	8.2
137.09631	1.5
137.13234	28.2
143.08513	11.9
145.10112	57.6
147.11674	7.1
149.09618	7.2
149.13234	7.0
157.10118	10.3
159.11670	8.1
161.13234	10.0
163.11121	5.2
163.14807	16.9
171.11650	9.2
173.13188	6.7
175.14801	2.2
179.14233	1.3
185.13243	7.9
187.14798	7.7
199.14810	8.9
205.15799	2.5
213.16350	13.1
227.17810	1.3
269.22562	35.0
286.30887	1.4
287.23630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2366
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
51.44812	2.5
53.00299	14.4
55.01856	2.4
55.03207	2.5
55.05488	12.1
57.07058	2.5
60.65715	2.8
67.05484	5.1
69.03419	20.7
69.07053	16.5
69.93353	2.7
71.04977	100.0
79.05499	10.1
81.07030	19.1
83.08603	2.9
88.85439	3.1
91.05463	14.4
92.64050	3.7
93.07036	32.5
95.04898	4.3
95.08596	5.8
105.07005	22.4
107.08570	17.1
109.10071	3.7
113.09624	86.7
114.87376	3.2
116.85455	2.9
117.07005	5.5
119.08596	22.4
121.10135	17.4
121.50546	3.2
123.08044	4.5
131.08527	25.3
133.10120	13.0
135.11696	3.5
143.08505	7.4
145.10085	24.0
147.11668	6.7
149.09566	3.3
157.10098	11.8
159.11702	12.5
165.22197	3.0
173.13220	4.7
175.14851	15.1
178.42964	3.2
185.13171	5.3
189.16472	4.7
201.16397	3.5
213.16351	5.6
215.17912	39.2
217.19644	3.1
269.22696	25.0
277.90408	3.3
287.23642	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	Mikanifuran
Peak:m/z	Relative Intensity
50.53564	0.9
53.48612	0.7
55.01866	0.9
55.05514	7.1
56.92119	0.7
57.07080	0.9
57.66646	0.7
59.04978	1.1
61.71419	0.8
66.24271	0.8
67.05496	6.1
69.03403	1.1
69.07075	9.8
71.04958	1.2
79.05505	6.8
81.07047	17.4
83.04980	1.2
83.08600	5.1
91.05475	5.9
93.07030	16.9
95.04982	1.7
95.08612	11.7
97.06492	1.1
105.07027	9.7
107.04961	8.7
107.08581	17.2
109.06522	9.6
109.10174	7.0
112.19941	0.9
115.20464	0.8
115.88791	0.9
117.07002	4.2
119.08591	8.3
121.06482	7.7
121.10131	10.2
123.08017	1.7
123.11693	30.1
131.08549	5.2
133.10104	5.4
135.08041	5.4
135.11687	4.6
142.05000	0.9
143.08575	2.1
144.74057	0.9
145.10123	4.2
147.08023	1.1
147.11653	3.4
149.09619	4.2
149.13251	2.1
151.11201	1.5
157.10129	2.3
159.11667	4.4
161.13237	1.1
163.11206	4.0
165.05510	0.9
171.11708	1.3
175.14798	2.2
177.12750	2.0
179.14320	4.0
191.14297	1.7
269.22668	1.3
287.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
52.38025	1.1
55.05511	9.7
57.07055	6.7
65.06627	1.1
67.05502	10.8
69.03397	1.9
69.07057	22.8
71.04980	23.5
71.62783	1.1
79.05476	6.2
81.07043	21.3
83.04972	1.7
83.08589	5.2
85.10148	1.8
91.05459	11.8
93.07034	15.2
95.08577	20.6
97.06510	2.2
97.10146	2.0
105.07026	25.0
107.04938	2.0
107.08572	18.5
109.06501	2.7
109.10142	17.4
113.09611	8.6
117.06969	6.0
119.08575	17.1
121.10131	12.8
123.08071	2.8
123.11694	13.9
125.09592	2.5
129.06950	2.6
131.08545	32.7
133.10109	16.7
135.08032	3.0
135.11664	10.9
137.09605	2.1
137.13214	2.5
142.07730	1.5
143.08571	17.2
145.10115	25.3
147.08090	2.5
147.11679	15.0
149.09595	24.2
149.13245	7.1
151.11198	2.2
153.12726	5.8
153.46422	1.4
155.08517	1.3
157.10042	9.4
159.11676	11.3
161.09529	2.0
161.13239	8.0
163.11148	11.2
163.14798	6.0
165.12708	13.4
171.11617	7.5
173.13235	11.0
175.14799	2.8
185.13222	7.3
187.14763	11.1
189.16344	1.8
190.10406	1.4
191.14323	1.7
199.14790	8.5
201.16383	2.9
203.14224	1.3
213.16328	11.8
215.17879	14.3
227.17923	2.3
229.15865	1.4
229.19310	1.7
231.17407	5.2
248.37479	1.4
259.24194	3.1
269.22604	32.0
287.23639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.00296	1.9
53.03939	2.2
54.10796	1.5
55.01852	2.0
55.05504	20.3
57.03429	1.6
57.07060	10.3
59.04985	7.4
67.05495	48.3
69.03408	7.5
69.07059	39.6
71.04980	2.2
71.08626	1.8
72.08141	2.7
74.12721	1.4
74.72140	1.3
79.05479	47.7
81.03429	2.0
81.07040	100.0
83.04972	3.9
83.08601	10.5
85.06514	2.1
86.09660	1.5
91.05459	46.2
92.29566	1.5
93.07025	77.5
95.04948	12.5
95.08591	40.0
97.06522	3.6
97.10166	1.8
103.05452	2.4
105.06362	3.0
105.07011	53.2
105.07658	2.9
107.04926	6.7
107.08577	57.8
109.06490	9.3
109.10143	38.0
117.06997	25.3
119.08560	36.0
121.06466	2.8
121.10117	29.8
123.08050	2.9
123.11705	25.2
128.06198	3.7
129.06981	21.7
131.04910	1.9
131.08551	32.1
133.09177	2.7
133.10109	43.0
135.08067	2.9
135.11685	28.0
137.09578	3.6
137.13266	2.8
141.06947	1.6
142.07748	3.0
143.08531	18.8
145.10135	25.3
147.07985	1.9
147.11656	21.8
149.09578	10.1
149.13234	12.0
151.11160	6.4
155.08507	1.9
157.10085	17.3
159.11684	13.7
161.09579	2.4
161.13261	11.6
163.11212	3.8
163.14755	2.3
165.12749	3.5
171.11656	15.2
173.13208	12.2
175.14769	8.6
177.16360	1.8
185.13226	19.3
187.11073	2.2
187.14819	8.5
189.16452	3.1
191.14215	2.8
199.14827	12.1
201.16365	10.3
203.14360	2.5
203.17906	3.8
205.15886	2.3
211.14693	1.8
213.16367	18.9
227.17873	3.9
231.17374	7.0
259.24200	3.0
269.22610	27.8
284.24896	1.8
286.31027	6.4
287.05548	3.3
287.20477	3.0
287.23654	55.5
287.31335	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	287.2367
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.77866	1.6
53.00289	1.9
53.03931	2.7
55.05509	22.1
56.02138	1.9
57.07068	19.7
59.04992	2.1
62.06068	2.0
65.33186	1.5
67.05496	70.3
69.03418	11.7
69.06717	2.3
69.07059	43.5
71.02113	1.7
71.04965	2.7
71.08640	1.7
79.05474	55.5
80.23060	1.6
81.07043	97.0
83.04951	2.9
83.08611	11.9
90.20496	2.0
91.05468	58.0
93.07027	100.0
95.04951	11.9
95.08587	51.3
97.06501	2.7
97.10188	3.0
105.07021	62.9
107.04962	3.4
107.08585	70.6
109.06509	11.5
109.10143	54.3
115.05448	2.3
117.07005	28.3
119.08562	50.4
121.06471	4.1
121.10130	44.3
122.68883	1.8
123.08049	3.7
123.11680	29.5
125.09602	2.5
128.06174	4.4
129.06993	29.2
131.08542	32.9
133.10117	49.5
135.08087	3.1
135.11681	44.0
137.13255	7.5
142.07755	4.5
143.08571	34.5
145.10115	19.6
147.08110	3.6
147.11705	29.2
149.09634	4.7
149.13231	11.7
151.11209	3.9
155.08601	2.6
156.09323	3.9
157.10127	24.2
159.11671	16.8
161.13196	13.7
163.11157	3.9
163.14804	3.9
165.12706	4.6
169.10152	2.7
170.10876	2.3
171.11664	19.8
173.13261	15.7
175.14813	10.2
185.13210	15.5
187.14821	7.9
189.16351	4.1
191.14310	3.0
196.93626	2.2
197.13423	1.9
199.14853	13.5
201.16393	4.0
203.14264	3.4
203.17888	8.6
213.16377	24.7
217.15868	2.8
227.17941	10.5
231.17410	9.9
259.24142	4.3
269.22607	40.9
279.93167	2.0
286.31113	7.5
287.20444	4.4
287.23633	86.2
287.31302	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	287.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.95764	0.5
55.01851	4.0
55.05505	5.9
57.03427	7.3
57.07047	0.6
57.25858	0.5
59.04980	3.0
61.02881	0.7
65.03916	0.8
67.05492	9.4
69.03423	7.4
69.07044	5.0
71.04974	5.2
72.93742	0.8
73.02903	5.3
73.06530	0.7
75.04444	0.9
77.03925	1.0
78.04665	1.5
79.05470	21.3
81.03398	2.7
81.07034	22.0
83.04973	9.1
85.02899	1.1
85.06532	3.2
90.94814	0.8
91.05451	16.9
93.03255	0.6
93.07021	21.9
95.04946	16.5
95.08583	8.5
97.06515	5.2
99.04428	2.4
102.97382	0.5
103.05431	10.6
105.04514	0.7
105.07009	30.1
106.04146	1.1
106.07381	0.6
107.04936	70.5
107.08575	11.2
109.06506	8.2
109.10114	3.2
111.08060	5.0
113.05983	1.2
115.05405	5.6
117.07002	7.3
119.04926	1.3
119.08544	15.0
120.05685	2.6
121.06467	6.0
121.10100	4.1
121.12598	0.7
122.06742	1.1
123.04415	5.0
123.08070	5.9
123.11698	1.2
124.05168	3.8
125.05936	2.6
125.09608	0.8
128.06209	2.3
129.06973	3.2
130.07809	0.7
131.04900	3.6
131.08543	12.3
132.95808	1.2
133.06444	3.7
133.10110	6.7
135.04387	0.8
135.07130	1.0
135.08025	25.7
135.11652	0.7
136.08299	0.8
137.05937	3.9
137.09557	1.3
139.07483	0.9
141.06993	1.1
141.08981	0.7
142.07782	1.4
143.08554	5.4
144.09375	0.7
145.06453	1.2
145.07536	1.0
145.10062	9.2
147.04361	1.0
147.07986	2.5
147.11670	5.4
149.05913	0.8
149.09561	4.8
150.96887	0.6
151.03862	0.8
151.07494	2.4
151.11082	0.8
152.04651	2.3
153.09064	0.8
154.06226	3.0
155.08521	1.3
155.10667	0.7
157.10078	3.0
159.07979	2.9
159.11681	3.5
160.08400	0.9
161.09569	3.1
163.07513	27.0
163.11150	2.9
165.05463	0.7
165.09027	0.9
167.06999	100.0
172.98929	0.9
173.09598	1.2
173.13196	0.8
174.10045	0.6
174.96849	2.3
175.10970	1.7
179.10619	3.6
180.07770	3.0
186.96756	1.0
187.11104	2.3
187.14775	0.7
191.10606	1.2
191.14174	0.6
193.08588	4.4
195.08447	1.1
195.10133	21.3
197.13292	0.9
203.14328	0.9
204.97855	1.2
207.13869	0.8
211.09599	2.9
213.11182	22.0
215.14215	1.0
221.15289	2.7
223.00636	0.9
233.15318	5.1
239.16472	1.3
246.98903	0.9
251.16357	2.6
269.17242	1.4
279.06647	1.1
287.05432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.8
53.21769	2.0
53.61134	1.7
55.01861	8.7
55.05501	42.3
57.03428	2.9
57.07068	3.4
59.04988	46.4
62.78089	1.7
63.76794	1.6
65.03931	4.3
67.05491	39.8
69.03413	10.1
69.07055	18.8
71.04974	31.7
73.06528	13.8
75.04456	7.8
79.05477	39.2
79.53811	1.7
81.03420	3.0
81.06596	3.5
81.07038	61.9
81.07479	3.4
81.95260	1.8
82.07405	2.2
83.04964	100.0
83.08592	3.4
85.02896	21.1
85.06528	10.7
87.04443	55.3
91.05460	50.4
93.07017	48.7
95.04957	27.8
95.08588	51.7
96.08923	1.8
97.06511	17.9
99.04426	11.7
99.08070	11.0
100.72828	1.9
101.06016	2.8
105.04480	2.2
105.07010	38.3
106.07354	3.9
107.08583	32.1
109.06509	15.4
109.10126	17.5
110.10416	1.9
111.04416	2.0
111.08041	8.0
113.05970	2.9
113.09625	28.2
114.36564	1.9
115.05406	2.5
117.06982	10.2
119.08556	40.8
120.08937	2.8
121.06476	4.2
121.10123	12.0
123.08065	16.2
123.11661	7.7
125.09626	3.3
128.06177	2.5
129.06950	2.8
131.08545	15.2
133.06531	1.8
133.10136	15.4
133.85445	1.8
135.08047	3.4
135.11722	3.2
137.09579	10.2
141.09067	16.6
142.07819	2.5
143.08563	3.5
145.10124	13.7
146.10480	3.5
147.07980	2.9
147.11674	4.4
148.12050	2.2
149.09605	6.9
153.09229	1.9
157.10048	2.3
159.07680	1.9
159.10132	2.5
159.11598	3.0
161.09584	1.9
163.11156	1.8
175.11084	3.5
187.14766	1.9
192.14558	2.0
206.16377	2.6
206.38313	2.0
214.74843	1.8
234.15709	2.4
251.16331	2.2
252.16895	2.0
269.17358	3.0
307.42908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84065	0.7
53.47805	0.7
54.50957	0.8
54.81917	0.9
62.93027	0.8
65.17587	0.8
71.49861	0.8
77.94418	0.9
83.92839	0.9
122.06632	0.9
190.74712	1.0
219.87871	1.2
242.40253	1.0
278.21536	0.9
287.10965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77521	0.3
53.71353	0.2
54.81870	0.3
54.90617	0.2
54.95322	0.3
55.01852	0.4
56.05010	1.4
56.96555	0.6
57.03421	2.5
60.04517	2.1
68.05005	1.9
69.03399	1.8
70.06582	3.1
71.04971	1.2
73.02901	0.6
80.04989	1.1
84.04482	1.5
84.08099	0.4
85.02880	2.8
85.34564	0.3
86.02410	0.4
86.06049	3.8
88.03980	15.7
89.06009	0.4
90.06286	0.4
92.09403	0.6
97.02853	0.7
98.06028	1.1
98.97559	1.5
100.07575	0.5
102.05504	0.5
107.07016	0.6
112.07579	5.8
113.00014	3.2
114.05516	8.8
116.07095	0.4
116.98591	0.6
119.01741	0.6
119.39419	0.3
125.07124	0.5
127.03874	0.3
128.07077	1.5
128.98584	1.4
130.04988	16.5
130.08569	0.3
140.07051	5.2
142.05002	2.8
142.08624	5.4
144.06529	0.5
145.04868	0.4
146.99626	0.7
158.04459	4.7
158.08089	1.4
169.09695	2.7
170.99579	0.3
186.07585	100.0
187.07996	0.3
189.00670	0.5
193.03770	0.3
197.09192	1.4
241.11784	1.5
272.00531	0.3
287.05338	0.5
287.12323	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.91185	0.2
51.11376	0.2
51.32922	0.2
53.03927	0.3
53.29298	0.2
55.01859	0.4
55.05497	1.5
56.22663	0.2
56.37410	0.2
57.07072	0.3
59.04995	0.4
65.03926	0.5
67.01847	0.6
67.05484	1.1
68.99776	3.1
69.03413	1.1
69.07056	1.5
70.38910	0.2
71.04968	0.6
75.20329	0.2
79.05464	2.7
81.03404	1.1
81.07026	3.5
83.04965	0.6
83.08576	0.3
85.06524	0.3
91.05434	2.6
92.05795	0.4
92.77338	0.3
93.07030	2.5
94.07362	0.3
95.04955	2.3
95.08581	1.5
96.08865	0.2
97.06535	0.5
99.04408	0.3
103.05406	0.3
105.03357	2.2
105.07017	2.9
106.07349	0.3
107.04951	1.8
107.08570	2.3
108.08888	0.5
109.02864	1.6
109.06509	1.0
109.10149	1.0
110.10375	0.3
111.00793	2.7
111.04430	0.5
115.05410	0.3
117.06982	1.1
119.08577	2.3
120.08900	0.3
121.02844	11.1
121.06475	0.5
121.10097	0.4
123.07998	0.3
128.06184	0.4
129.07008	0.5
131.08543	1.2
133.02846	1.6
133.10107	0.6
134.10431	0.6
135.04381	0.4
135.07993	0.5
135.11652	0.4
137.02333	3.8
141.06982	0.5
143.08606	0.4
145.06483	0.5
145.10118	1.8
147.04387	2.2
147.11719	1.1
153.01807	16.9
157.06480	2.3
157.10085	1.1
159.11662	0.5
161.05940	0.6
161.09624	0.3
163.11180	0.5
164.11469	0.6
165.01801	5.0
171.04364	1.2
180.14690	0.5
183.02817	2.4
185.05984	1.8
189.05368	0.4
190.85120	0.2
197.05954	0.4
213.05403	5.8
222.15654	0.5
229.04988	0.4
231.06496	2.2
233.15230	0.3
241.04951	2.6
251.16319	0.4
251.59019	0.3
258.05215	3.2
259.05969	1.4
269.04312	0.6
287.05438	100.0
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	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
53.03933	0.8
53.95416	0.5
54.96852	0.5
55.01861	1.0
55.05511	4.2
55.05717	0.4
57.07051	0.7
59.04987	0.9
67.05491	5.5
68.99770	3.7
69.03416	2.3
69.06693	0.8
69.07047	8.2
71.04975	3.9
73.06540	1.0
75.04440	0.8
79.05479	5.9
81.07038	9.9
83.04970	9.2
83.08582	0.6
85.02871	0.6
85.06525	2.2
90.26546	0.5
91.05461	7.0
91.63896	0.5
92.21512	0.5
93.07023	6.9
95.04945	8.6
95.08570	5.0
97.06518	5.2
99.04404	0.7
105.03355	1.2
105.07015	6.3
107.04923	3.5
107.08578	6.1
109.02895	1.1
109.06509	3.2
109.10120	2.5
111.00787	2.5
111.04446	0.6
111.08038	1.0
117.06990	2.6
119.08550	5.5
121.02838	10.5
121.06487	1.0
121.10090	3.2
123.08051	3.6
125.09600	1.0
129.07005	1.9
131.08537	3.2
133.02867	1.1
133.10089	3.8
135.08003	1.2
135.11684	0.6
137.02325	2.9
137.09610	2.2
141.07005	0.7
141.09109	0.8
143.08582	0.7
145.06445	0.8
145.10129	4.0
147.04370	2.0
147.11642	0.7
149.09604	1.2
151.11098	0.7
152.05501	0.5
153.01802	17.5
155.10596	0.6
157.06471	2.4
157.10114	0.6
159.11667	0.8
161.05914	0.9
161.09607	0.8
165.01785	6.1
167.10678	0.8
171.04398	0.8
173.13260	0.9
183.02864	3.0
185.05992	2.3
185.63779	0.5
191.10600	0.7
213.05455	3.3
218.10425	0.5
231.06494	2.1
233.15335	2.0
235.17096	0.5
241.04951	2.1
244.53885	0.5
251.16342	1.9
258.05081	4.4
259.05975	0.6
287.05438	100.0
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
53.03933	0.8
53.95416	0.5
54.96852	0.5
55.01861	1.0
55.05511	4.2
55.05717	0.4
57.07051	0.7
59.04987	0.9
67.05491	5.5
68.99770	3.7
69.03416	2.3
69.06693	0.8
69.07047	8.2
71.04975	3.9
73.06540	1.0
75.04440	0.8
79.05479	5.9
81.07038	9.9
83.04970	9.2
83.08582	0.6
85.02871	0.6
85.06525	2.2
90.26546	0.5
91.05461	7.0
91.63896	0.5
92.21512	0.5
93.07023	6.9
95.04945	8.6
95.08570	5.0
97.06518	5.2
99.04404	0.7
105.03355	1.2
105.07015	6.3
107.04923	3.5
107.08578	6.1
109.02895	1.1
109.06509	3.2
109.10120	2.5
111.00787	2.5
111.04446	0.6
111.08038	1.0
117.06990	2.6
119.08550	5.5
121.02838	10.5
121.06487	1.0
121.10090	3.2
123.08051	3.6
125.09600	1.0
129.07005	1.9
131.08537	3.2
133.02867	1.1
133.10089	3.8
135.08003	1.2
135.11684	0.6
137.02325	2.9
137.09610	2.2
141.07005	0.7
141.09109	0.8
143.08582	0.7
145.06445	0.8
145.10129	4.0
147.04370	2.0
147.11642	0.7
149.09604	1.2
151.11098	0.7
152.05501	0.5
153.01802	17.5
155.10596	0.6
157.06471	2.4
157.10114	0.6
159.11667	0.8
161.05914	0.9
161.09607	0.8
165.01785	6.1
167.10678	0.8
171.04398	0.8
173.13260	0.9
183.02864	3.0
185.05992	2.3
185.63779	0.5
191.10600	0.7
213.05455	3.3
218.10425	0.5
231.06494	2.1
233.15335	2.0
235.17096	0.5
241.04951	2.1
244.53885	0.5
251.16342	1.9
258.05081	4.4
259.05975	0.6
287.05438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15244	0.6
53.03952	0.6
54.82096	0.5
55.05501	1.3
56.96547	2.7
57.07068	26.6
58.06576	3.6
62.06077	11.4
67.05488	1.0
67.22356	0.5
69.07036	1.4
70.84382	0.6
71.04967	0.7
71.08618	10.5
79.05467	2.3
80.30196	0.7
81.07034	4.2
83.04976	0.9
85.10154	2.6
87.04416	0.7
91.05439	2.8
92.08645	1.0
93.07024	4.7
95.04950	1.4
95.08585	2.5
96.25504	0.6
105.07024	5.6
107.08566	4.0
109.06513	0.9
109.10137	2.6
119.08567	4.2
121.10088	1.1
123.11713	4.3
139.47498	0.6
145.10112	0.7
147.11629	1.3
149.13164	0.6
156.17467	0.9
174.18530	6.8
201.06128	0.6
212.23766	9.9
228.23038	0.7
229.07642	0.6
230.24754	55.8
245.15047	1.3
286.30994	100.0
300.79099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
53.03928	1.1
55.01858	2.9
55.05488	4.9
57.03412	0.6
58.24714	0.6
59.04978	3.0
62.70693	0.7
65.03948	1.1
67.05505	7.0
68.99770	3.9
69.03400	3.9
69.07061	5.8
71.04958	4.3
74.50381	0.7
79.05474	10.9
81.03387	1.7
81.07040	16.0
82.07370	0.9
83.04972	6.3
83.08607	1.3
85.02942	0.9
85.06548	1.3
91.05453	11.4
92.05786	0.9
93.07035	14.7
95.04952	20.0
95.08601	7.2
97.06512	5.2
99.04407	1.5
100.15427	0.7
105.03358	1.6
105.07005	15.0
107.04940	3.7
107.08585	9.4
109.02814	1.0
109.06525	7.1
109.10127	4.2
111.00800	1.4
111.04390	0.8
111.08058	1.1
113.05981	1.3
115.05445	1.2
117.07043	6.2
119.08560	11.8
121.02827	11.5
121.06473	1.5
121.10102	4.2
123.08025	3.3
125.09642	0.8
128.06233	1.3
129.06993	3.1
131.08533	9.0
133.10103	5.9
135.08025	4.7
135.11656	1.5
137.02332	3.9
137.09554	2.8
138.89227	0.7
142.07753	1.8
143.08521	4.0
145.10121	7.0
147.04388	1.0
147.07971	0.8
147.11646	3.3
149.09576	4.3
151.11084	1.3
153.01797	14.7
153.84009	0.7
155.08528	1.0
157.06436	1.7
157.10109	5.4
159.07913	0.9
159.11678	4.4
161.09592	1.5
161.13261	0.8
163.11185	1.6
165.01787	5.0
173.09579	1.5
179.10703	1.5
182.11063	1.0
183.02776	1.7
187.14807	2.8
197.13280	0.9
213.05489	6.8
215.14433	1.0
231.06540	0.9
233.15308	4.9
234.15533	0.9
241.04778	1.4
251.16322	4.8
258.05191	1.7
259.06006	1.5
269.23541	0.8
287.05447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01856	1.9
55.05505	19.0
56.15606	0.7
56.35354	0.7
56.96556	17.6
57.03434	1.4
57.07066	7.8
59.04983	4.2
67.05492	23.9
69.03418	11.8
69.07059	25.1
71.04983	7.7
71.08622	1.1
79.05473	29.2
81.07043	100.0
83.04970	4.8
83.08607	24.1
85.06549	2.2
88.66805	0.9
91.05468	22.7
93.07027	62.3
95.04939	7.6
95.08588	29.4
97.06520	11.8
97.10151	1.0
99.04442	3.7
105.07021	45.3
106.07365	1.3
107.04975	1.3
107.08582	39.1
109.06496	12.0
109.10146	40.8
111.08057	10.1
116.98533	0.9
117.06996	7.6
119.08569	50.8
120.08884	1.9
121.06494	2.2
121.10133	19.6
123.08024	7.0
123.11699	9.0
125.09585	1.1
129.06970	2.1
130.07756	1.4
131.07668	1.1
131.08548	10.4
133.01715	1.2
133.10115	15.9
135.08018	2.2
135.11682	17.5
137.09599	34.0
138.10379	6.0
143.08563	1.5
145.10123	17.2
147.11665	18.1
149.09637	3.4
149.13261	4.2
151.11165	4.7
155.10645	9.5
157.10135	1.1
159.11679	11.0
161.13222	11.4
163.11160	18.9
163.14731	1.0
165.12796	1.1
173.13292	1.7
175.14857	1.6
177.12755	1.9
177.16393	1.6
179.14288	1.2
191.17905	2.1
201.16364	9.9
202.01981	1.0
203.17915	6.2
204.18233	1.0
219.17426	25.3
223.16922	5.5
241.07274	1.0
242.69379	1.0
245.15044	1.6
267.08936	1.1
267.12384	1.0
269.17633	1.0
283.15826	1.0
286.11069	1.2
309.13654	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	286.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01870	5.5
55.05505	11.4
57.07058	4.0
58.06586	0.7
59.04982	1.2
61.02909	0.7
62.06081	0.8
67.05495	17.1
69.07059	15.0
70.03581	0.6
71.04986	11.3
71.08611	1.3
71.58929	0.6
78.78926	0.6
79.05479	8.6
81.07039	36.7
83.04964	3.0
83.08607	5.9
85.06538	8.5
86.13225	0.6
91.05464	31.7
93.07027	100.0
95.04937	6.8
95.08591	32.6
97.06516	6.5
99.08105	0.7
101.05998	4.1
103.05424	1.3
105.04510	1.0
105.07017	51.1
107.08578	34.9
109.06506	2.4
109.10146	53.2
111.08068	22.4
113.09634	3.6
117.07010	7.0
119.08566	50.1
121.10123	35.8
123.08039	1.2
123.11685	4.4
125.09637	8.1
127.11172	16.9
129.07007	1.0
130.07774	1.3
131.04919	1.0
131.08546	12.9
132.05246	1.2
133.10106	24.1
135.11679	8.3
137.09572	1.3
139.11137	3.4
143.08559	0.8
144.09334	3.3
145.08965	1.5
145.10107	37.3
146.10934	0.8
147.11681	4.6
148.47267	0.7
149.09634	0.7
149.13249	2.7
157.10060	1.2
159.11674	43.5
161.13229	75.7
163.11148	2.7
173.13219	9.7
174.18497	0.7
175.14784	7.0
177.12730	2.7
177.16333	6.6
179.14255	3.7
191.14259	0.9
191.17966	1.5
201.16344	32.4
201.18184	1.3
212.23672	0.8
219.17418	31.5
219.19478	1.4
230.24731	5.8
234.22995	0.6
236.20055	0.6
237.18454	13.0
249.08467	0.7
286.30951	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	286.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07869	2.2
53.03944	6.7
55.01862	3.0
55.05508	52.6
57.03430	2.9
59.04987	6.8
60.23294	2.4
65.03916	3.2
67.05501	28.0
68.88979	2.8
69.03407	6.3
69.07043	13.6
71.04981	16.3
75.04481	3.8
79.05480	47.4
81.07028	43.2
83.04973	100.0
83.08582	4.6
85.06541	4.2
91.04902	3.6
91.05461	75.5
93.07032	72.5
95.04927	17.7
95.08584	19.0
97.06483	11.8
99.04422	13.0
103.05450	5.0
105.07017	70.6
107.08580	43.2
109.06512	7.0
109.10118	11.9
111.04435	3.5
115.05441	4.0
115.88199	2.8
116.06174	3.0
117.07001	18.0
119.08570	47.0
121.10160	22.5
123.11684	10.9
126.66156	3.3
128.06178	4.3
129.07021	11.6
130.07872	2.8
131.08580	27.3
133.06425	3.0
133.10098	30.5
135.08020	4.3
135.11676	4.6
142.07730	7.0
143.08511	12.9
145.10065	11.5
147.11636	11.6
149.09616	5.6
157.10081	13.7
159.11633	25.3
161.09584	13.5
169.35295	3.1
173.13193	4.0
284.59967	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	286.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01856	1.9
55.05505	19.0
56.15606	0.7
56.35354	0.7
56.96556	17.6
57.03434	1.4
57.07066	7.8
59.04983	4.2
67.05492	23.9
69.03418	11.8
69.07059	25.1
71.04983	7.7
71.08622	1.1
79.05473	29.2
81.07043	100.0
83.04970	4.8
83.08607	24.1
85.06549	2.2
88.66805	0.9
91.05468	22.7
93.07027	62.3
95.04939	7.6
95.08588	29.4
97.06520	11.8
97.10151	1.0
99.04442	3.7
105.07021	45.3
106.07365	1.3
107.04975	1.3
107.08582	39.1
109.06496	12.0
109.10146	40.8
111.08057	10.1
116.98533	0.9
117.06996	7.6
119.08569	50.8
120.08884	1.9
121.06494	2.2
121.10133	19.6
123.08024	7.0
123.11699	9.0
125.09585	1.1
129.06970	2.1
130.07756	1.4
131.07668	1.1
131.08548	10.4
133.01715	1.2
133.10115	15.9
135.08018	2.2
135.11682	17.5
137.09599	34.0
138.10379	6.0
143.08563	1.5
145.10123	17.2
147.11665	18.1
149.09637	3.4
149.13261	4.2
151.11165	4.7
155.10645	9.5
157.10135	1.1
159.11679	11.0
161.13222	11.4
163.11160	18.9
163.14731	1.0
165.12796	1.1
173.13292	1.7
175.14857	1.6
177.12755	1.9
177.16393	1.6
179.14288	1.2
191.17905	2.1
201.16364	9.9
202.01981	1.0
203.17915	6.2
204.18233	1.0
219.17426	25.3
223.16922	5.5
241.07274	1.0
242.69379	1.0
245.15044	1.6
267.08936	1.1
267.12384	1.0
269.17633	1.0
283.15826	1.0
286.11069	1.2
309.13654	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	286.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.01866	9.9
55.05507	19.0
57.03418	4.5
59.04979	2.7
60.65628	2.1
64.33632	2.9
65.03927	2.6
67.05488	68.7
69.03417	5.5
69.07041	23.4
71.04967	23.7
75.04449	3.0
79.05473	59.9
81.03413	4.1
81.07041	62.9
82.07345	2.3
83.04964	24.1
85.02911	2.5
85.06533	5.6
91.05463	99.9
91.06005	4.6
93.07021	55.9
95.04951	26.4
95.08593	36.8
97.06528	13.3
99.04430	18.8
103.05447	3.2
105.04588	2.6
105.07014	100.0
107.04933	4.1
107.08595	31.5
107.80968	2.4
109.06522	18.4
109.10148	88.3
111.08100	3.4
113.06020	3.2
115.05443	12.6
117.07002	45.1
119.08572	63.3
121.06499	11.5
121.10124	15.1
123.08067	18.0
125.05952	18.6
125.09586	2.9
127.11124	3.9
128.06178	13.0
129.07001	27.5
130.07721	4.0
131.08563	43.7
133.10120	28.7
135.08041	10.0
135.11703	3.8
141.06992	6.1
142.07768	16.3
143.08554	18.9
144.09300	2.8
145.10123	43.7
147.08052	9.6
147.11702	12.4
148.12439	5.3
149.09645	4.4
155.08540	3.9
156.06764	2.4
156.09314	2.6
157.10074	19.6
158.07327	2.8
159.08029	3.4
159.11659	20.7
161.09552	3.2
161.13264	9.6
163.11197	4.1
173.09613	4.6
173.13219	5.2
175.11099	2.6
185.13284	3.3
187.14850	3.8
191.10704	3.6
193.12228	5.5
199.14902	3.1
202.39458	2.6
203.14345	3.0
223.09656	3.2
233.15401	5.0
251.12831	3.7
251.16391	9.6
268.19022	4.3
287.05478	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	286.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68734	0.9
53.03941	2.2
55.05507	14.1
57.03429	1.8
58.03482	1.0
59.05000	1.9
65.03947	1.1
67.05498	11.9
69.03412	10.4
69.07052	5.7
71.04980	76.9
79.05480	33.5
81.07040	100.0
83.04963	11.9
83.08600	1.5
85.02907	8.9
85.06521	6.8
89.06008	1.3
91.05455	15.4
93.07035	24.3
95.04937	11.1
95.08595	22.8
97.06495	8.8
97.10124	1.5
99.04451	1.6
105.07026	22.5
107.04906	1.7
107.08591	19.9
109.06506	67.4
109.10146	7.4
111.04429	16.9
111.08069	13.4
117.07014	2.5
119.08567	17.0
121.06477	5.1
121.10130	15.7
123.08048	13.7
125.05959	2.1
128.06253	1.3
130.72661	1.0
131.08575	5.4
133.10081	9.1
135.08028	1.8
135.11674	9.7
137.09586	12.0
145.10121	11.8
147.11671	4.7
150.45872	1.4
157.10126	1.7
161.09608	6.2
163.11172	6.7
165.09071	10.3
173.09631	1.6
175.11215	1.9
181.12238	5.5
215.14273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
54.81671	2.4
55.05499	16.7
57.03430	25.4
57.07061	13.6
59.04987	13.4
62.24686	2.7
67.05492	44.0
69.03424	4.2
69.07056	14.2
79.05481	35.2
81.07037	65.3
83.04972	9.9
85.06534	5.8
91.05459	62.6
93.07027	74.1
95.04948	15.0
95.08577	18.9
97.06527	11.7
101.20808	2.4
105.07012	100.0
107.08570	37.8
109.06504	14.4
109.10164	21.3
115.05429	4.3
117.06998	33.9
119.08564	63.9
121.06496	6.3
121.10127	24.4
123.08077	3.3
128.06239	2.7
129.07005	30.2
130.07785	12.6
131.08534	58.5
133.10086	17.6
135.08040	14.0
135.11670	4.3
142.07774	9.6
143.08557	4.2
144.09363	37.1
145.10100	34.3
147.11679	11.8
149.13197	4.3
157.10124	15.4
159.11667	98.2
222.02921	2.8
223.12178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.4
53.00301	3.9
53.03946	24.0
55.01857	5.6
55.05504	38.5
56.08392	2.9
65.03925	3.5
67.05502	38.8
69.07062	12.4
71.04980	38.1
79.05482	81.8
81.07045	100.0
81.11350	3.2
83.04971	19.1
88.19101	2.7
91.05476	91.8
93.07036	69.0
95.04951	44.6
95.08601	44.3
99.04486	3.2
99.42009	3.3
103.05431	3.8
105.04526	5.0
105.07018	39.4
107.08584	18.5
109.06535	12.8
109.10201	3.9
115.05462	6.4
116.22657	3.2
117.07020	13.2
119.08556	33.0
121.10044	4.3
129.07031	4.4
133.10146	3.7
153.34317	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	286.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26196	1.0
51.09013	1.0
53.03936	2.5
55.05508	16.5
57.03408	2.7
57.07057	7.2
59.04991	2.2
61.53819	1.5
65.03917	2.3
66.38349	1.4
67.05490	28.2
69.03415	16.6
69.07048	21.9
71.04971	7.2
72.48489	1.4
79.05470	24.5
81.07038	100.0
83.04952	9.3
83.08611	20.6
85.06541	2.6
91.05464	32.6
92.09272	2.7
93.07022	52.0
95.04950	11.8
95.08582	36.5
97.06503	13.9
99.04401	2.7
103.05448	9.9
104.05789	2.7
105.07017	48.2
107.04962	1.8
107.08572	36.7
109.06508	29.4
109.10141	36.4
111.08065	9.6
117.06984	12.5
118.38906	1.5
119.08559	51.1
121.06522	6.2
121.10130	19.7
123.08044	7.8
123.11670	3.3
130.07756	2.6
131.04900	12.7
131.08548	16.0
132.05235	9.7
133.06474	1.6
133.10103	29.8
135.08032	5.3
135.11644	12.0
137.09595	25.9
138.10381	7.0
142.07719	2.7
143.08546	2.9
144.09311	3.0
145.10078	23.0
147.08070	2.6
147.11661	20.9
149.09564	4.8
149.13225	2.6
151.11177	3.2
155.10670	7.0
157.10104	6.8
159.11668	24.1
161.09587	15.4
161.13242	6.7
163.11160	17.1
165.12724	2.0
173.13251	1.6
175.11192	3.3
175.14809	8.8
177.12720	2.1
179.14398	1.8
199.02771	1.7
199.14624	2.4
201.16322	11.1
211.29605	1.7
219.17398	25.0
235.16866	10.7
263.05978	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01862	0.2
55.05498	0.3
55.78376	0.2
56.96292	0.2
56.96561	7.4
57.03421	0.4
57.07058	0.3
61.02913	0.2
63.38334	0.2
65.09125	0.2
69.03404	0.4
71.04971	0.4
72.08128	0.2
73.02891	0.3
74.97599	1.7
79.05488	1.7
80.77196	0.2
81.03412	0.3
81.07030	1.0
83.05016	0.2
85.02896	2.6
86.09688	0.2
86.97617	0.3
88.56229	0.2
90.94801	0.5
91.05465	1.0
92.98653	0.3
93.07043	0.5
95.04940	0.2
95.08562	0.3
97.02866	0.5
99.88129	0.2
102.07668	0.2
105.07020	0.5
106.06544	100.0
107.04922	0.2
113.10744	0.2
118.06513	1.7
119.08565	0.4
124.07582	0.9
124.36005	0.3
130.06490	0.3
131.08575	0.3
133.10175	0.3
136.07565	0.2
141.10204	0.4
145.10146	0.9
147.11679	1.1
150.99155	2.0
161.04846	2.2
161.09537	0.3
167.97108	0.3
169.00165	1.9
173.13315	0.3
176.23299	0.2
177.04401	0.3
179.05875	1.8
179.56403	0.3
188.25522	0.2
188.33879	0.2
205.16045	0.3
211.10777	0.2
263.04181	0.4
268.03256	0.3
273.84882	0.2
281.05444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01856	1.2
55.05509	9.8
56.96563	6.2
57.03418	1.3
57.07055	4.0
59.04993	1.8
63.86607	0.7
67.05489	13.9
69.03409	1.6
69.07053	8.3
70.23849	0.7
71.04976	33.3
79.05470	12.1
80.02383	0.7
81.07036	25.4
83.04956	3.8
83.08582	1.3
85.06483	1.4
91.05460	14.0
92.09217	1.2
93.07021	29.0
95.04967	6.1
95.08583	10.5
97.06501	4.2
99.04432	100.0
105.07013	16.2
107.08578	14.4
109.06496	3.6
109.10131	9.9
111.08070	3.0
117.05444	3.0
117.06982	3.3
119.08570	10.1
121.06466	4.0
121.10101	3.8
123.08040	1.3
123.11673	1.4
129.06970	1.0
131.08534	4.6
133.10101	4.1
135.07991	1.1
135.11668	11.2
137.09615	1.1
139.07520	1.9
143.08469	1.0
145.10115	6.6
147.11664	3.5
149.09479	0.9
153.09045	1.3
153.12679	8.1
157.10088	1.0
159.11632	6.7
161.09656	1.0
171.13750	1.6
182.87300	0.8
195.13728	2.0
215.65541	1.0
245.15057	1.1
251.16225	1.9
259.78226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	21.5
54.08512	2.0
54.81743	2.1
55.01854	11.7
55.05265	3.1
55.05507	52.9
57.03416	3.5
58.06584	4.6
58.10968	2.1
59.04978	11.4
64.93320	2.2
65.03909	2.8
67.05189	3.4
67.05494	50.1
69.03407	3.6
69.07027	5.0
71.04977	61.8
77.03892	3.4
78.80717	2.3
79.05473	53.6
81.03410	2.4
81.07043	76.1
83.04964	32.9
85.06511	13.4
91.05458	100.0
93.06487	4.0
93.07020	70.9
95.04952	52.5
95.08567	25.3
96.02699	2.3
97.06491	5.3
105.04491	15.1
105.07021	24.3
107.08561	13.5
109.06486	18.0
109.10160	5.1
117.06987	5.7
119.08524	11.2
123.08073	4.8
147.81697	2.5
193.17596	2.8
227.26256	2.5
298.76678	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	286.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43197	0.7
55.05504	0.8
56.96561	100.0
67.05501	0.9
69.03416	1.6
69.07059	1.3
70.06580	1.3
71.04999	0.9
72.08153	1.0
72.93741	0.8
73.33472	0.7
74.97596	25.8
79.05470	0.9
81.03384	0.9
81.07041	3.2
85.02882	1.9
86.97575	4.4
90.94801	1.2
91.05475	1.6
92.98637	5.2
93.07018	3.7
95.08602	1.0
97.02885	1.8
97.06534	0.9
105.07031	1.8
107.08601	0.9
109.06470	0.9
113.23307	0.8
116.98594	1.6
119.08535	1.8
131.08537	1.0
132.98102	5.1
137.05980	3.2
143.03717	1.0
143.08466	1.4
145.10147	1.4
150.99133	26.1
159.03299	3.6
161.04840	25.4
164.26646	0.9
169.00172	20.4
173.09242	0.9
177.04227	1.4
179.05879	21.0
195.05405	1.6
198.11343	0.8
205.03883	0.8
205.12285	0.8
219.05441	3.0
223.04886	3.7
223.17003	0.8
226.71875	0.9
263.04446	8.3
281.05505	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	286.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
56.12206	0.2
56.96281	0.4
56.96561	9.5
57.03419	0.3
57.07062	0.3
58.28229	0.2
61.02913	0.6
67.05502	0.2
69.03410	1.3
69.07068	0.3
72.93767	0.2
73.02915	0.3
74.97602	2.4
79.05502	1.9
81.03377	0.3
81.07035	0.4
85.02885	3.0
87.05791	0.2
90.62235	0.2
90.94786	0.3
91.03233	0.2
91.05461	0.9
92.98637	0.3
93.07027	1.0
95.04960	0.4
97.02899	0.5
98.97636	0.2
105.07019	1.3
106.06545	100.0
107.08540	0.4
109.06513	0.3
117.06997	0.5
118.06521	1.6
118.44627	0.2
119.08575	0.5
124.07535	0.4
130.06541	0.4
131.08574	0.5
133.10088	0.3
141.10202	0.3
145.10167	0.9
147.11688	1.4
150.99158	2.1
159.03311	0.5
161.04776	2.2
161.09671	0.4
162.12798	0.2
169.00175	2.0
172.97694	0.3
179.05875	2.3
186.89590	0.2
263.04517	0.4
281.05319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.02031	0.9
52.28060	1.2
52.37244	1.0
53.00309	1.0
53.03932	1.8
53.70424	1.1
55.05506	11.3
55.32754	0.9
57.07056	6.2
59.04963	1.2
63.84305	1.3
67.05199	1.5
67.05498	28.7
69.03394	1.2
69.07056	19.7
71.04974	2.3
72.04992	1.4
78.65321	1.3
79.05052	1.9
79.05478	35.3
81.03397	2.9
81.06599	2.2
81.07042	52.1
83.04936	1.7
83.08600	6.6
91.05466	31.0
93.07030	23.0
93.87302	1.2
95.04956	1.9
95.08591	41.0
97.10192	1.8
103.05435	7.6
103.77966	1.5
105.07018	56.9
107.04935	11.1
107.08566	20.6
109.06496	2.7
109.10137	20.0
111.08092	1.3
111.56419	1.3
115.05450	2.2
117.07005	27.1
118.07777	1.7
119.08559	22.7
121.06430	2.4
121.10133	16.0
123.11700	9.4
128.06209	2.4
129.07001	17.9
131.04921	12.2
131.08563	16.8
133.10110	100.0
135.11673	3.0
137.13232	1.5
141.06970	34.3
142.07773	2.3
143.08553	15.9
145.10141	16.4
147.08041	22.6
147.11653	13.6
149.09612	6.6
149.13199	1.3
154.07739	4.6
155.08536	18.5
157.10130	12.2
159.11664	11.0
161.09590	2.6
161.13214	6.6
163.11198	1.5
167.08542	3.0
168.09308	5.9
169.10115	23.9
169.40422	1.3
171.11626	13.4
173.13234	8.4
175.14757	1.5
176.18689	1.5
181.10109	5.5
182.10854	1.9
183.11655	24.8
185.13220	10.8
187.14838	2.7
195.11674	2.1
197.13246	10.0
199.14809	7.0
201.16237	2.1
203.18030	11.0
209.13092	2.2
211.14847	15.0
213.16336	1.5
225.16377	17.5
229.15704	1.8
241.19447	1.8
243.17520	1.4
257.22537	2.5
267.21008	13.8
285.18893	2.7
285.22052	67.1
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
50.29538	3.1
53.03945	6.0
54.81805	5.0
55.01860	8.6
55.05503	50.8
57.03423	20.8
57.07056	5.6
59.04976	16.8
67.05489	32.4
68.46338	3.7
69.03426	33.5
69.07053	35.6
71.04977	17.6
71.18596	3.6
79.05479	47.9
81.03397	9.1
81.07034	65.0
83.04967	49.8
85.02896	27.9
85.06527	6.8
87.04447	7.3
91.05467	63.6
93.07030	96.9
95.04955	41.6
95.08592	36.0
97.02868	25.9
97.06500	24.2
98.97557	16.5
99.04437	26.1
99.08094	5.0
101.05981	21.3
103.05439	4.1
105.07014	100.0
107.04963	6.2
107.08575	71.1
107.37315	3.4
109.06490	39.0
109.10136	9.7
110.97495	6.0
111.04427	8.0
111.08056	16.0
116.98570	6.3
117.06992	26.8
119.08556	77.6
121.06461	15.2
121.10153	30.5
123.08028	20.9
125.05978	4.7
125.09615	9.7
128.06192	17.0
128.98599	5.1
129.05467	5.0
129.06964	19.3
130.07695	4.5
131.08549	28.5
132.63400	4.1
133.06418	7.3
133.10114	76.8
135.08035	10.0
135.11655	8.5
137.09612	5.7
139.07549	4.1
142.07765	6.3
143.08533	60.7
145.06433	5.8
145.10092	27.6
147.08002	16.1
147.11667	65.8
149.09685	14.1
151.07570	4.7
151.11124	4.9
156.09338	5.1
157.10066	29.1
159.11647	20.9
161.09596	25.5
161.13194	8.8
163.11150	7.0
170.10860	4.3
171.11641	46.7
173.09663	4.7
175.11214	4.4
175.14786	5.7
185.13243	19.9
189.09148	6.9
189.12738	20.5
192.69753	4.8
193.08556	4.7
195.09955	4.2
195.13794	4.1
203.14310	32.3
207.13847	5.7
213.12553	5.0
219.13744	4.7
221.15347	14.1
225.09157	4.1
228.55219	3.9
231.13829	32.0
232.14095	5.7
249.14871	49.7
254.04573	8.7
267.15903	33.6
269.06824	4.4
272.05606	8.3
285.16589	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Pisiferin
Peak:m/z	Relative Intensity
55.01862	2.1
55.05503	17.6
55.94781	0.9
57.07057	5.5
60.51358	0.9
67.05477	7.1
69.03418	2.0
69.07052	16.4
71.04985	1.0
73.21237	1.1
79.05460	6.9
80.64514	1.0
81.07043	18.6
83.04964	4.1
83.08609	8.9
83.86992	1.0
85.06492	1.1
85.43422	1.1
91.05457	11.3
93.07009	6.5
95.04982	3.5
95.08591	8.6
97.06512	1.3
100.64690	1.1
103.05439	5.3
105.06994	9.6
107.08571	6.0
109.10144	2.5
117.07011	5.2
119.08554	5.1
121.06503	2.3
121.10104	5.9
123.11670	27.5
129.06969	8.0
131.04898	7.2
131.08527	9.8
133.10106	5.1
135.08040	1.9
136.08867	1.1
137.09566	4.5
141.06979	5.5
142.07751	1.3
143.08530	9.8
145.06412	1.4
145.10141	5.6
147.06874	2.2
147.08040	44.2
147.09180	2.7
147.11652	2.4
155.08527	24.4
156.09300	4.2
157.10081	5.7
157.56903	1.1
159.08075	2.3
159.11739	1.9
163.11171	1.1
167.08598	1.3
169.10081	10.1
171.01375	5.4
171.11650	5.5
173.13266	1.7
182.10947	1.7
183.11641	9.8
185.13219	4.5
187.11205	1.6
189.12753	13.3
197.11580	2.2
197.13246	37.7
199.14781	2.2
201.12692	4.5
203.14217	1.2
211.14784	7.2
215.14180	1.4
225.16350	6.0
243.17369	11.4
267.21008	2.3
284.33368	2.0
285.22076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.221
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.00314	1.2
53.93612	1.2
55.01840	1.6
55.05504	15.1
56.96550	1.6
57.07058	2.7
59.04982	1.9
59.47140	1.1
64.49472	1.3
67.05492	31.5
67.82855	1.2
69.03413	2.1
69.07056	19.8
71.04970	3.2
79.05468	37.4
79.23355	1.4
81.03391	7.4
81.06598	2.3
81.07040	52.8
83.04953	6.7
83.08593	2.6
85.14924	1.3
91.05455	36.2
93.07018	28.2
95.04943	7.3
95.08586	44.9
97.06496	3.3
103.05460	15.0
105.06271	2.0
105.07007	63.4
107.04928	15.4
107.08577	25.3
109.06502	10.0
109.10144	21.7
115.05431	1.5
116.54254	1.4
117.07003	27.2
119.08555	25.4
121.06438	1.9
121.10104	17.7
123.07987	3.1
123.11681	12.1
125.09591	1.8
128.06160	2.3
129.06990	20.3
131.04893	19.0
131.08539	23.2
133.06512	1.7
133.10106	100.0
135.08078	1.3
135.11668	6.8
137.09557	2.3
137.13258	1.7
141.06979	39.4
142.07767	2.4
143.08531	19.1
145.10110	17.8
147.08069	23.6
147.11665	18.5
149.09595	8.6
151.11169	3.0
153.06982	1.9
154.07777	2.8
155.08559	21.4
156.09399	1.5
157.10049	14.1
159.11671	13.5
161.09537	2.5
161.13232	5.7
163.11121	2.2
167.08557	2.7
168.09320	3.2
169.10100	25.1
171.11627	9.8
173.13237	10.3
175.11122	1.4
181.10152	7.1
182.10857	2.3
183.11681	24.8
185.13249	13.1
187.11143	1.4
187.14764	2.9
195.11636	2.0
197.13220	10.2
199.14769	3.2
203.17955	7.3
211.14799	10.3
225.16382	16.5
241.19409	3.2
243.17282	2.0
257.22571	2.8
267.21002	12.8
285.18896	2.5
285.22067	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	285.1695
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
53.03931	6.7
55.01870	8.8
55.05501	27.8
56.96565	4.3
57.03429	8.8
57.03750	3.3
57.07060	4.4
59.05002	5.3
64.36376	3.2
67.05502	32.3
69.03423	9.8
69.07051	25.1
71.01337	4.6
71.04983	30.7
74.52228	3.8
79.05466	37.2
81.03391	5.7
81.07037	63.3
83.04968	29.3
85.06563	4.5
91.05462	60.0
93.07014	91.2
95.04952	33.5
95.08595	61.5
97.06509	9.4
99.04453	9.9
101.05989	4.1
105.07005	81.3
107.04926	5.5
107.08583	69.6
107.78172	3.8
109.06549	27.5
109.10138	19.4
111.08090	5.4
117.07027	18.0
119.08559	91.7
121.06489	43.8
121.10088	37.1
123.08068	16.2
123.11678	5.2
125.05928	5.0
125.09621	4.3
128.06169	7.5
130.07759	7.3
130.57043	4.0
131.08533	42.4
133.06522	7.0
133.10110	36.1
134.16841	4.1
135.08026	26.1
135.11673	100.0
137.05833	4.8
137.09605	29.9
142.07759	4.6
143.08534	24.0
145.10114	76.9
147.08028	15.7
147.11662	37.3
149.09601	26.8
158.07263	4.6
159.11691	17.9
161.09639	32.1
161.13219	36.0
163.11139	76.7
165.09132	4.4
171.11661	8.4
173.09561	17.4
174.34254	4.0
175.11162	5.7
175.14806	26.2
179.10614	5.6
179.14299	5.0
181.12238	28.5
185.13170	6.8
189.12698	16.3
191.10619	16.3
203.14320	22.3
205.15932	5.6
207.13826	4.4
211.11903	3.9
221.15346	43.5
231.13765	21.2
232.14030	5.7
239.16432	16.3
249.14767	43.2
267.15921	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.7
53.03944	16.6
55.01852	10.4
55.05267	2.4
55.05506	45.9
56.96556	21.2
57.03418	3.0
57.07065	4.0
59.04981	9.0
65.03920	6.9
67.05493	35.5
69.03417	33.1
69.07042	10.6
71.04980	17.0
73.06541	1.8
75.04469	24.7
76.35067	1.6
79.05474	61.0
80.06264	4.0
81.03414	14.3
81.07040	60.6
83.04964	18.3
83.08590	2.7
84.49435	1.7
85.02876	2.7
85.06519	2.2
91.05462	71.4
93.03410	1.6
93.07029	44.6
95.04952	42.0
95.08579	22.7
97.02875	16.4
97.06502	3.0
99.04432	10.1
103.05444	10.0
105.04523	1.8
105.07018	100.0
107.04955	20.9
107.08581	36.4
108.05714	8.3
109.06510	26.4
109.10132	12.8
111.04429	4.0
111.08109	2.1
115.05472	13.0
116.06278	2.7
117.06995	31.2
119.04920	7.5
119.08550	35.1
121.06479	11.8
121.10121	8.8
123.04391	4.0
123.08020	11.0
123.11681	4.3
124.05202	2.4
127.03867	2.4
128.06206	10.1
129.06973	4.4
130.07742	7.9
131.04924	4.2
131.08554	21.9
133.01799	2.0
133.06450	8.2
133.10112	34.2
135.04420	4.4
135.08029	27.2
135.11670	4.2
136.05176	6.9
137.05992	4.0
143.08553	16.5
145.06461	3.1
145.10080	16.2
146.07251	2.2
147.11702	3.3
149.09581	8.7
151.11182	3.8
156.08025	3.3
157.10056	1.8
159.07965	2.3
159.11665	4.4
161.09596	14.5
163.11130	2.0
163.98210	1.7
173.09575	2.1
175.14659	2.1
178.64511	1.7
179.10670	4.3
183.97382	1.8
201.16388	2.3
231.13884	2.0
241.40417	1.7
267.15765	12.6
309.13660	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	285.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.32597	0.3
54.81952	0.3
55.01847	1.8
55.05496	2.1
55.52632	0.3
56.96548	0.6
57.03416	1.4
57.07066	1.5
59.02557	0.2
59.04973	0.3
61.02900	0.3
61.49152	0.3
62.42108	0.3
64.16006	0.3
64.33627	0.3
67.05499	3.0
69.03413	1.7
69.07040	1.7
70.33347	0.3
71.04964	1.8
71.08608	0.4
79.05467	5.4
81.03387	1.2
81.07034	6.4
83.04965	2.4
85.02879	0.6
85.06532	0.5
85.82980	0.3
91.05456	7.6
93.07021	6.9
95.04945	3.7
95.08580	3.6
97.06498	2.5
98.97556	1.4
99.04416	0.7
101.05995	0.5
103.05432	0.6
105.07015	7.1
107.04940	3.4
107.08566	3.6
109.06510	3.9
109.10141	1.5
111.04395	0.5
111.08056	1.7
113.05959	0.5
115.05438	0.3
117.07002	2.0
118.04104	1.2
119.04903	1.5
119.08550	4.1
121.06487	9.8
121.10123	1.6
123.04442	0.4
123.08041	2.0
125.05953	0.6
128.06216	0.7
129.06989	1.4
131.04866	0.5
131.08571	2.2
132.95863	0.3
133.06470	1.3
133.10114	3.2
134.99568	0.3
135.04361	1.4
135.08035	2.6
135.11688	0.7
137.05949	3.4
137.09575	0.7
139.07518	0.7
139.71143	0.3
142.07719	0.7
143.08530	1.7
144.09340	0.5
145.06409	0.4
145.10110	3.1
146.03630	0.7
147.08020	2.9
147.11699	2.0
149.05948	8.3
149.09642	1.4
151.07527	2.1
153.05435	3.7
153.09082	0.4
157.10063	1.3
159.08020	0.3
159.11681	1.5
161.05945	100.0
161.09540	2.7
163.07448	0.6
163.11156	1.4
167.06981	0.7
168.07758	1.7
171.11597	1.4
173.09569	0.5
174.96848	0.4
175.07523	6.9
175.11066	0.4
177.05428	0.5
177.09056	0.6
179.06990	21.4
179.10571	0.5
185.13208	0.8
189.12727	1.3
191.10756	0.5
193.08565	1.4
195.06482	0.4
196.07251	0.6
203.06995	9.2
203.10497	0.3
203.14259	1.2
211.09624	0.3
213.12761	0.4
219.13776	0.6
221.08055	10.1
231.13736	1.6
237.14682	0.4
249.14816	2.7
267.08466	0.7
267.15762	2.0
285.16653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
53.03928	2.7
54.82475	2.4
55.01870	2.9
55.05512	19.5
55.84245	1.6
57.03427	7.5
57.07067	2.6
59.04973	2.8
63.38710	1.5
65.03936	1.5
65.11802	1.5
67.05494	20.4
69.03412	8.2
69.07050	10.2
70.06586	1.7
71.04977	53.9
72.17827	1.7
73.64721	1.6
75.04471	6.6
77.03928	1.5
78.15826	1.7
79.05470	24.3
81.03394	2.8
81.07039	38.0
83.04974	14.1
91.05460	26.6
93.07024	32.8
95.04946	20.4
95.08565	14.9
97.06487	7.8
99.04436	100.0
103.05427	2.9
105.07020	31.4
107.04946	3.1
107.08575	21.4
109.02894	2.2
109.06506	23.5
109.10134	7.9
117.06947	6.8
119.08556	24.4
121.06482	9.1
121.10098	9.9
123.08063	12.2
125.05901	2.6
129.07007	3.2
131.08565	15.1
133.10091	4.1
135.08009	4.5
135.11699	7.2
137.05966	3.9
137.09604	2.8
142.07733	2.2
143.08527	2.7
145.10127	12.6
147.08000	3.7
147.11691	3.4
149.09595	4.0
151.07588	2.3
157.10133	2.9
159.07826	1.8
159.11752	2.7
161.09521	2.0
163.07475	2.2
163.11168	9.9
175.11253	2.2
181.12169	3.2
203.14418	2.4
232.14117	2.8
233.15317	2.6
250.15126	4.4
267.15979	3.2
285.17004	4.2
305.62189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03929	19.2
54.50726	3.0
55.01854	21.8
55.05504	49.3
57.03420	6.1
57.07059	3.1
59.04986	6.7
65.03947	4.2
67.05490	41.3
69.03418	24.5
69.07037	16.6
69.39822	3.9
71.04968	20.9
75.04440	20.4
79.05479	66.0
81.03378	15.7
81.07041	67.4
83.04967	21.2
83.08591	3.3
91.05463	66.7
93.07030	54.6
95.04949	51.4
95.08583	19.0
97.02874	21.5
97.06477	4.7
99.04422	5.8
103.05456	32.5
105.07011	100.0
107.04942	20.8
107.08591	31.7
109.06489	25.1
109.10146	5.1
111.04431	4.5
111.08044	6.1
117.07011	22.7
119.04930	6.7
119.08573	38.3
121.06496	13.7
121.10106	7.2
123.08035	7.1
124.96507	3.4
127.03907	4.1
128.06221	8.0
129.06975	7.4
130.07785	7.7
131.04901	71.0
131.08553	29.6
133.06490	7.2
133.10109	40.9
135.08026	23.5
137.09595	15.5
143.08536	16.4
145.06482	3.9
145.10094	25.5
149.09589	6.3
151.11183	8.5
161.09579	14.6
163.11218	5.1
179.10657	7.1
230.17584	3.7
247.74161	4.1
250.14986	4.6
267.15796	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	284.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01861	5.0
55.05510	26.3
60.43967	3.5
67.05487	36.2
69.03423	9.3
69.07064	33.7
71.04971	32.3
79.05467	55.4
81.03426	3.9
81.07034	56.0
83.04974	17.1
91.05453	79.3
92.08729	3.7
93.07029	55.0
95.04945	27.4
95.08578	41.7
97.06495	17.2
99.04443	4.3
103.05455	4.3
105.07015	100.0
107.04955	14.4
107.08575	32.5
109.06515	40.3
109.10147	8.6
111.08022	4.3
111.58726	4.0
115.05434	6.0
117.07010	21.5
119.05025	4.1
119.08558	75.8
121.06451	27.0
121.10141	32.8
123.08064	25.8
128.06198	15.7
129.06969	17.6
130.07771	6.2
131.08545	34.1
133.10091	32.6
135.08026	7.5
135.11687	6.3
137.05989	7.6
137.09604	15.0
141.06911	6.1
142.07768	6.1
143.08537	24.1
145.10068	30.6
147.08073	35.4
147.11687	9.2
149.09584	17.3
155.08574	4.9
156.09308	18.6
157.10075	5.5
159.11632	6.4
161.09633	22.9
161.13277	9.4
163.11180	8.0
165.05452	16.4
165.09074	4.9
171.11681	7.9
173.09538	5.6
175.11215	4.1
189.12764	8.6
203.14456	5.3
207.10193	4.0
207.13879	5.2
249.14778	38.0
283.95950	4.2
284.18491	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	285.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	1.3
55.05500	1.9
56.96555	0.4
57.03419	0.5
57.07061	1.1
59.04992	0.4
65.03925	0.3
67.05493	2.3
69.03403	1.5
69.07043	2.3
71.04972	1.6
71.08571	0.3
79.05471	3.0
81.03387	1.2
81.06595	0.4
81.07043	6.0
83.04950	2.8
83.08580	0.4
85.02880	1.2
85.06549	0.4
91.05466	8.1
93.07025	6.5
95.04949	2.7
95.08573	2.9
97.02880	1.0
97.06512	2.0
98.97563	0.4
99.04434	1.5
100.11256	0.3
103.05449	1.1
105.07019	7.0
107.04919	4.1
107.08570	2.9
109.06535	2.7
109.10107	0.5
111.04418	0.5
111.08049	1.0
115.05439	1.0
116.98618	0.3
117.06982	1.7
118.04139	0.6
119.04929	0.4
119.08549	3.9
121.06485	10.8
121.10091	1.3
123.08057	2.3
125.05964	0.4
128.06212	0.3
129.06979	1.5
131.04950	0.5
131.08548	2.8
132.05722	0.4
132.95789	0.3
133.06488	1.2
133.10110	2.6
134.03590	0.5
134.99763	0.3
135.04404	0.6
135.08009	2.4
137.05963	4.1
137.09615	0.6
139.07597	0.3
142.07753	0.5
143.08527	1.6
145.06488	0.5
145.10107	2.5
146.03606	0.6
147.08064	2.6
147.11696	1.1
149.05965	8.9
149.09576	1.6
150.96913	0.3
151.07507	2.4
153.05482	2.2
157.08806	0.3
157.10101	1.7
159.08009	0.6
159.11671	1.2
160.05110	0.4
161.05948	100.0
161.09500	2.3
163.07547	0.5
163.11159	0.6
165.09109	0.3
167.07086	0.5
168.07811	1.3
171.11653	0.6
173.09599	0.3
173.13234	0.3
174.96841	1.0
175.07506	6.8
175.11305	0.3
177.05418	0.3
177.09061	0.5
179.06999	20.6
179.10530	0.5
189.12640	1.2
191.10661	0.4
193.08597	0.4
195.06456	1.1
196.07295	0.4
203.07022	9.3
203.14388	0.5
213.12782	0.3
219.13828	0.4
221.08067	11.8
221.15262	0.3
231.13757	1.1
249.11081	0.3
249.14816	2.2
267.08597	1.1
267.15869	1.3
285.16824	0.3
303.46631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01850	7.5
55.05519	36.3
57.03408	3.6
57.07077	8.6
60.75017	3.4
65.89547	3.8
67.05502	42.4
69.03419	16.0
69.06719	4.3
69.07064	80.6
71.04960	21.9
79.05479	61.2
81.07043	100.0
82.07334	5.2
83.04967	33.7
91.05458	64.4
92.09068	24.9
93.07034	56.5
95.04951	27.5
95.08598	53.7
97.06496	27.9
97.93056	3.9
99.04442	14.8
105.07015	80.9
107.04949	9.4
107.08590	61.7
109.06487	41.7
109.10149	16.3
111.08073	5.4
115.05438	4.1
117.07007	24.0
119.08571	63.8
121.06492	22.9
121.10123	24.6
123.08027	34.8
125.05949	24.4
125.09619	15.1
128.06210	7.4
129.06969	7.3
131.08545	25.6
133.06480	15.1
133.10117	32.3
135.08020	9.9
135.11674	6.0
137.05934	6.9
137.09627	5.1
143.08575	19.1
145.10161	31.8
147.08081	16.9
147.11671	16.5
149.09584	8.1
151.07545	4.9
156.09337	6.5
157.10123	8.7
159.08029	5.3
159.11711	8.0
161.08379	4.6
161.09599	25.9
161.13249	9.7
163.11140	20.5
165.09109	5.7
171.11591	4.3
173.09622	15.1
185.13191	5.4
188.11989	5.6
189.12750	19.4
203.14278	4.5
204.14912	5.2
217.12206	19.3
231.13776	16.1
232.14456	5.6
249.14859	20.6
267.15784	7.3
284.18472	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	284.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
53.03937	6.5
55.01866	1.9
55.05506	9.5
56.96555	6.6
57.03426	4.7
57.07067	4.1
58.98735	0.8
59.04971	1.2
65.03925	1.7
67.05489	23.1
68.06258	1.1
69.03422	3.7
69.07054	4.8
71.04974	3.8
71.08585	1.4
79.05475	44.9
81.03404	1.1
81.07039	100.0
82.07823	3.5
83.04975	5.4
83.08602	1.0
85.02904	3.6
85.06527	4.3
91.05464	19.3
93.07024	20.4
95.04931	9.3
95.08578	11.8
96.05760	1.1
97.06509	5.9
99.04449	3.6
103.05484	1.2
105.07012	32.6
107.04951	3.9
107.08563	10.2
109.06517	11.5
109.10159	1.5
110.07275	3.8
111.08070	1.4
115.05496	1.1
117.07021	5.1
119.04895	2.0
119.08557	8.8
121.06512	3.7
121.10142	1.3
123.08028	4.1
128.06203	1.3
129.06955	1.8
131.08566	5.2
133.06471	1.2
133.10112	4.7
135.08063	1.7
137.05998	1.3
138.06744	0.9
143.08527	3.5
145.10107	6.4
147.08063	1.2
147.11646	8.3
151.07466	1.2
159.11697	1.9
173.13338	1.2
177.08998	0.9
187.11018	1.0
190.10803	0.9
191.10625	1.4
203.14606	0.9
267.15872	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	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03431	39.0
57.07061	3.2
61.02916	20.5
63.22223	1.5
69.03123	1.7
69.03424	27.8
71.01337	19.0
71.04977	100.0
73.02903	83.5
81.03411	7.0
83.08601	1.3
85.02892	34.5
87.00812	8.7
87.04452	16.3
89.02376	47.3
89.06021	5.9
95.04944	1.6
97.02875	28.6
99.04433	8.5
105.01845	7.0
105.05492	12.1
109.02877	3.0
109.21019	1.6
114.61517	1.6
114.62357	1.7
115.03910	16.2
117.05480	10.4
127.03881	13.6
130.70587	1.6
133.04936	10.0
135.02879	19.3
135.06514	14.3
145.04964	8.1
152.05553	1.7
180.10054	1.7
231.04971	2.4
249.06125	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	284.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51457	0.3
53.03931	0.5
54.81622	0.3
55.01866	0.4
57.03424	2.5
59.04992	20.9
61.02918	3.2
69.03421	7.0
71.04987	4.8
72.25665	0.4
72.65143	0.3
73.02905	1.5
73.62320	0.3
74.78044	0.3
80.79437	0.3
81.03402	1.5
85.02889	14.3
85.06544	1.6
86.06857	1.6
87.04453	100.0
97.02869	4.5
99.04397	0.5
105.05492	31.4
109.02877	0.8
122.08093	0.5
127.03910	2.0
134.73337	0.4
135.06532	0.6
145.04987	1.4
180.08647	1.5
266.17465	0.4
284.18777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2629
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.00299	1.5
53.03944	3.1
53.98869	1.0
55.01863	9.1
55.05507	74.3
56.96569	2.4
57.03423	5.4
57.07065	15.8
59.04988	5.6
65.03909	1.8
67.05495	32.2
67.12463	1.2
69.03416	10.3
69.07056	100.0
71.04980	15.5
71.08636	1.6
73.06528	1.6
79.05473	26.9
81.07041	76.0
82.27876	1.4
83.04963	10.6
83.08611	30.5
85.02958	1.4
85.06547	11.1
91.05465	21.7
93.07023	49.6
95.04940	13.9
95.08000	2.6
95.08588	51.3
97.06505	16.1
97.10159	23.6
98.97576	1.7
99.04455	8.1
99.08076	1.6
101.49747	1.4
105.07006	21.7
107.04947	1.9
107.08579	37.8
109.06515	10.5
109.10146	25.5
109.90453	1.3
111.04433	1.5
111.08089	12.4
111.11713	7.5
116.98627	2.3
117.07014	7.7
119.08556	18.4
121.06480	8.0
121.10105	18.9
122.84762	1.4
123.08054	5.1
123.11693	14.1
125.05983	3.2
125.09602	2.5
127.07460	1.4
127.11139	2.0
128.06218	2.9
129.06975	5.8
131.08545	10.6
133.06451	1.6
133.10143	12.1
135.08044	6.1
135.11652	9.8
136.12735	1.5
137.05951	3.0
137.09631	3.0
137.13242	3.1
139.11143	4.9
143.08604	6.1
145.06467	1.9
145.10141	10.7
147.08061	5.1
147.11629	2.0
149.09616	2.5
149.13280	5.5
151.07562	6.7
151.14789	1.4
153.12720	7.3
155.08557	1.7
159.08110	1.7
159.11696	8.2
160.11993	2.2
161.09584	6.9
163.07532	1.9
163.11200	5.6
167.14256	1.5
170.10503	1.3
171.11624	2.1
172.08728	2.1
173.09258	3.2
173.13210	2.6
177.12743	2.7
178.13248	1.5
179.10603	1.4
185.13257	1.5
188.11510	5.1
189.09053	1.6
191.10654	1.7
201.12729	2.5
205.12274	5.6
219.13797	6.1
231.13782	2.3
239.51984	1.3
247.13258	5.6
247.24156	1.9
265.14316	7.6
265.25171	13.8
283.15271	2.9
283.26242	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	283.1535
Annotation	Cynaratriol
Peak:m/z	Relative Intensity
51.21724	1.6
55.05502	4.1
56.96542	3.3
57.03422	3.2
57.64443	1.7
60.19790	2.2
60.44597	1.8
63.10301	2.1
67.05493	4.8
69.03414	4.8
69.07022	4.1
71.04964	3.4
79.05464	9.0
81.03391	2.1
81.07019	3.3
83.04948	3.2
85.02875	2.1
91.05443	10.5
93.07014	10.4
95.04935	4.8
95.08588	4.1
97.02878	2.6
98.97560	4.2
105.07015	19.4
107.04904	2.6
107.08569	14.8
109.06483	20.2
116.98575	2.8
117.05775	2.4
117.06991	12.8
119.08527	22.7
120.08096	2.4
121.06470	2.6
121.10112	8.9
129.07007	4.5
131.08553	20.1
133.10095	12.0
135.08011	8.7
137.05765	2.5
139.09917	2.1
143.08487	3.6
144.09303	8.9
145.06427	7.9
145.10109	27.5
147.08034	12.6
147.11655	25.9
149.09616	4.2
151.07539	3.8
157.10101	19.6
158.07173	3.0
158.10867	2.9
159.08002	8.6
159.11641	86.2
160.08752	5.1
161.09572	10.0
161.13231	1.9
163.11163	7.6
171.11653	8.9
172.08803	3.0
173.09557	8.5
173.13216	15.5
175.11133	100.0
177.09071	2.7
177.12700	3.1
183.11635	7.7
187.11142	34.0
189.12733	2.7
191.10623	2.8
201.12726	21.9
205.12265	23.2
217.12172	8.0
219.13803	15.6
229.12216	11.3
231.37244	2.1
235.13211	14.4
247.13261	23.3
265.14212	18.0
270.30411	2.2
283.11737	2.8
283.15286	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68135	1.2
53.00297	1.4
53.03936	9.6
55.01873	15.3
55.05507	15.9
56.96569	3.3
57.07060	2.3
59.04990	1.9
61.34501	1.2
65.03931	6.6
67.05499	26.6
67.77978	1.4
69.03419	9.8
69.07063	13.4
71.04980	5.9
75.04456	13.1
79.05477	45.2
81.03399	6.6
81.07038	100.0
82.07853	2.3
83.04965	13.8
83.08563	1.5
85.06513	5.0
91.05462	39.5
93.07027	45.4
95.04948	22.7
95.08576	23.7
96.05732	6.6
97.06512	9.4
99.04446	2.9
103.04816	2.1
103.05452	21.9
105.07011	46.0
107.04965	8.1
107.08572	32.2
108.05744	2.7
109.02861	2.8
109.06498	22.1
109.10133	5.5
111.04426	2.9
115.05441	3.7
117.07018	15.5
119.04937	3.6
119.08553	28.6
121.06499	9.7
121.10131	8.7
123.04430	2.6
123.08041	17.2
124.05213	1.6
125.06004	7.5
128.06219	7.4
129.06979	9.3
131.04898	47.8
131.08522	20.5
133.06477	9.4
133.10114	17.4
134.07198	2.1
135.08054	28.4
135.11723	3.0
142.07759	3.3
143.08516	11.1
145.06461	2.7
145.10103	23.1
147.08034	14.7
147.11679	11.3
148.08827	2.7
149.09619	10.1
151.07533	14.5
155.08528	2.5
156.09340	3.2
157.10046	10.7
159.08032	5.9
159.11693	8.8
161.09601	8.5
161.13203	2.4
163.11140	7.7
164.08360	1.7
171.11702	6.3
173.09657	3.0
173.13234	8.4
175.11166	3.5
187.11154	3.7
189.12750	6.9
190.13522	1.9
191.10614	11.1
202.13528	1.8
203.14221	2.2
215.14261	1.7
223.13226	23.8
233.15442	2.3
249.14888	3.7
250.15642	14.8
265.14145	1.9
283.15329	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	283.1539
Annotation	Cynaratriol
Peak:m/z	Relative Intensity
55.05502	2.3
55.19464	1.1
56.96551	2.0
57.03427	2.2
57.07061	1.1
67.05479	2.6
69.03413	2.8
69.07057	5.2
71.04974	1.5
79.05466	5.8
81.07041	5.0
83.04948	2.3
85.02887	2.6
91.05466	7.9
91.18730	1.0
93.07010	8.6
95.04961	7.4
95.08607	1.9
97.06512	1.1
98.97575	6.3
105.07012	19.6
107.04906	1.4
107.08570	15.5
109.06509	24.4
111.08078	1.3
113.05900	1.3
116.98618	2.0
117.07000	9.0
119.08555	25.6
121.06497	2.6
121.10141	7.8
125.05964	2.0
129.06999	5.4
130.07771	1.4
131.08549	24.6
133.06477	1.9
133.10112	8.4
135.08008	9.5
135.11703	2.5
138.51746	1.1
141.06979	1.6
142.07825	2.5
143.08554	5.4
144.09352	7.9
145.06470	6.9
145.10123	28.7
147.08017	12.7
147.11682	33.7
147.12758	2.1
149.09630	5.0
149.13261	2.2
151.07570	2.9
153.09111	1.4
156.02211	1.4
156.09364	2.6
157.10078	19.5
158.07248	1.9
158.10895	2.6
159.08061	12.9
159.11668	97.0
160.08835	5.0
161.09663	4.6
161.13205	2.1
163.07538	1.8
163.11185	6.2
165.09131	5.0
169.06230	1.6
169.10226	1.3
171.11688	8.9
172.08841	2.9
173.09576	9.5
173.13231	19.9
175.11159	100.0
177.00609	1.7
177.09123	2.6
177.12781	5.9
179.10663	2.4
182.15346	1.2
182.42232	1.2
183.11676	6.1
186.10416	1.5
187.11157	49.2
189.12714	5.3
191.10701	5.6
201.12737	22.9
203.14326	1.7
205.12219	26.7
207.10130	3.0
217.12170	13.9
219.13795	19.2
229.12187	9.7
235.13252	15.6
237.14772	1.7
247.13258	34.0
260.09290	1.9
265.14316	19.7
269.09561	1.4
283.15375	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79726	0.6
53.03939	1.8
55.01859	1.8
57.03421	5.9
59.04980	0.9
61.02912	10.8
67.05498	0.7
68.08158	0.6
69.03416	19.6
71.04978	3.9
73.02885	3.9
81.03386	8.5
85.02886	100.0
85.06521	13.6
87.04452	2.9
91.03940	5.1
94.09439	0.7
97.02870	17.1
99.04440	4.2
101.02365	0.9
109.02853	10.0
115.03905	1.2
127.03877	17.9
139.44208	0.7
145.04927	24.5
149.30476	0.7
163.05954	8.1
163.62067	0.7
177.47176	0.8
221.62915	0.8
229.10640	5.8
263.51706	0.9
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	Strobilol D
Peak:m/z	Relative Intensity
53.03951	4.6
55.01855	13.6
55.05503	21.1
57.03407	2.5
57.61252	2.7
59.04995	15.3
66.60886	3.6
66.91048	2.4
67.05481	19.6
67.38470	2.8
68.46739	2.7
69.03410	7.0
69.07045	16.0
71.04964	16.9
71.90165	3.1
75.04469	2.5
78.39068	2.3
79.05479	28.3
81.03392	6.2
81.07037	81.6
83.01336	4.7
83.04968	60.5
85.06514	3.2
91.05465	88.4
92.08713	6.2
93.07019	69.7
95.04951	25.1
95.08562	29.5
97.02878	3.7
97.06506	11.1
99.04428	7.1
103.05476	5.7
105.07016	68.4
107.04946	6.5
107.08588	29.1
109.02875	10.7
109.06471	14.7
109.10117	5.4
115.05466	12.0
117.07000	35.1
119.08577	100.0
121.06453	27.8
121.10131	12.5
123.04377	5.1
123.08040	13.9
123.11640	3.8
125.05946	3.6
128.06192	13.0
129.06989	35.2
130.07788	4.8
131.08551	54.4
133.06451	14.1
133.10095	41.2
135.08032	20.5
135.11671	3.5
137.05946	32.0
137.09612	7.0
143.08513	20.3
144.09351	5.3
145.06381	13.2
145.10114	33.7
147.08038	62.2
147.11673	4.5
149.05966	4.5
149.09622	6.2
151.07515	3.8
151.11247	5.0
157.06474	4.2
157.10123	5.7
159.07990	5.6
159.11717	26.0
161.09593	59.7
161.13248	3.4
163.07474	5.5
163.11142	18.7
171.08055	6.8
173.09573	6.9
173.13202	13.1
175.07512	27.8
177.09015	4.0
177.12659	15.4
179.06909	4.3
179.10594	24.8
183.11664	4.4
187.11148	6.1
189.09026	33.9
191.14293	4.6
193.08594	11.5
197.07999	4.1
201.12744	15.2
203.14276	13.7
205.12225	6.1
207.10156	17.7
219.13824	18.9
221.15305	27.3
229.12244	14.7
231.69720	3.6
237.14706	3.3
247.13332	23.0
265.14392	34.1
283.15421	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	281.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31602	0.3
54.03456	1.4
54.85830	0.2
55.04245	2.4
59.04981	0.3
61.91858	0.2
69.03417	0.3
81.04527	11.2
82.04819	0.3
82.05309	7.6
85.02888	1.1
85.06534	0.3
101.05985	0.3
102.19061	0.2
105.07078	0.4
108.05559	0.4
122.07141	15.3
123.07918	100.0
136.06168	0.2
150.02652	0.4
160.04250	1.3
165.07692	5.0
206.83675	0.3
235.10480	0.4
281.10641	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	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81076	13.0
56.96562	8.1
64.88972	9.7
96.56810	10.1
98.97555	95.3
111.54025	9.4
115.02525	8.3
116.98597	100.0
127.05808	8.5
134.09657	10.6
134.99660	62.6
153.00734	10.7
194.67621	8.8
277.00793	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
54.81893	0.9
55.01860	3.8
55.05502	0.8
57.03434	9.9
59.04976	0.8
59.74112	0.7
61.02919	13.4
67.05495	1.9
69.03419	29.4
71.01344	1.0
71.04972	2.2
73.02906	17.6
81.03410	8.3
81.03806	0.8
85.02895	100.0
85.06534	29.7
87.04450	11.7
89.64764	0.9
91.03933	5.3
92.09319	0.9
97.02873	25.9
98.97565	3.8
99.04443	1.9
102.02344	1.3
103.03976	1.2
103.07580	6.5
109.02882	8.7
115.03909	3.8
119.01866	1.0
127.03902	18.6
132.49957	0.8
133.04951	4.5
136.06262	0.9
143.01898	1.3
145.04958	26.2
150.07614	0.9
153.00993	1.0
161.02901	1.0
161.09538	0.8
163.04733	1.2
163.05981	10.6
173.02945	3.5
192.19679	0.9
229.10738	4.9
252.12131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01865	0.3
55.05503	7.7
56.96542	0.7
57.03428	2.2
57.07071	0.4
59.04992	8.4
61.02910	2.9
69.03422	6.2
71.05004	0.4
73.02911	1.7
81.03391	3.0
81.07040	0.5
83.04968	82.6
85.02892	21.7
91.03931	1.7
91.05439	0.6
97.02876	6.7
99.04423	0.7
101.06000	100.0
109.02865	1.3
109.06518	0.4
121.02859	0.5
127.03884	4.1
130.04738	0.4
145.04913	3.3
149.02330	7.4
149.73071	0.4
150.02654	5.0
163.03824	0.4
180.08629	0.4
191.59152	0.4
227.09087	1.4
245.10153	4.6
278.63828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.227
Annotation	Micropine
Peak:m/z	Relative Intensity
53.03937	1.7
55.05503	13.8
56.96549	12.0
57.07057	3.0
60.04512	14.7
67.05490	35.9
69.07055	24.9
79.05459	26.5
80.65479	1.6
81.07037	55.9
83.08580	2.4
89.33587	2.2
91.05458	37.7
93.06457	2.4
93.07020	58.2
95.04903	3.1
95.08582	99.8
97.10190	2.4
105.07014	96.7
107.08576	82.2
109.10131	68.0
115.71631	1.8
115.90796	1.8
119.08555	76.7
121.10120	42.6
123.11689	12.9
131.08499	2.8
133.10104	51.2
135.11653	10.1
145.10057	4.2
147.11662	73.8
147.12735	3.5
149.02332	8.8
150.02644	10.3
161.13231	23.8
166.09760	1.8
175.14857	12.4
185.04582	2.3
203.17928	83.2
220.20576	37.4
262.21616	100.0
280.22614	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	279.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66611	1.0
53.03932	1.8
53.81181	0.9
54.62574	1.2
55.01862	6.7
55.05507	7.9
55.45298	1.1
56.96560	3.2
57.07067	9.6
60.04507	1.6
63.64209	1.1
65.03930	2.1
67.05501	7.4
69.07045	10.9
71.04977	5.5
74.64418	1.3
79.05470	25.0
79.07777	1.1
81.07043	37.6
82.22314	1.3
86.96159	1.4
91.05470	23.2
93.07027	59.9
95.04961	8.0
95.08595	10.4
96.08899	2.0
96.61858	1.2
97.06516	1.1
98.97558	2.1
99.08075	81.5
105.07017	23.8
107.08580	44.3
109.06496	11.6
109.10149	7.6
115.05480	1.8
117.07016	6.0
119.04098	1.2
119.08569	13.2
121.02850	7.1
121.06483	33.8
121.07315	1.7
121.10144	6.5
127.07529	75.6
130.07828	4.4
131.08525	11.0
133.10060	2.7
135.08040	47.3
135.11670	28.3
143.08536	2.8
144.74738	1.5
145.08566	2.1
145.10106	59.5
149.02325	100.0
149.09612	2.9
159.11703	10.9
160.12033	1.4
161.13138	1.5
163.11201	1.6
175.14799	1.8
201.16393	8.3
219.05632	1.8
219.17450	7.8
220.17845	2.6
270.12759	1.4
279.12448	1.8
279.21417	8.6
281.10547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.82062	0.5
55.05504	3.9
55.75659	0.3
57.07060	1.6
67.05481	1.9
69.03420	10.4
69.07044	1.9
71.04980	0.6
76.56725	0.5
79.05471	11.2
80.32408	0.4
81.07044	6.1
83.04967	0.6
85.06527	0.5
91.05458	7.6
93.07025	49.0
95.04941	2.1
95.08598	2.2
97.10149	0.9
99.08081	7.0
105.07017	11.2
106.07781	0.5
107.08580	10.8
109.06508	0.7
109.10134	0.6
117.07001	1.6
117.09682	0.4
119.08558	8.3
121.06506	1.0
121.10122	100.0
123.08038	2.3
125.09615	1.0
127.07543	5.9
131.08557	0.9
133.07510	0.6
133.10086	1.8
135.11678	12.6
145.10077	5.4
149.02338	7.3
159.11685	2.3
163.11116	5.5
191.17857	0.6
196.93221	0.4
201.16463	0.9
219.17436	3.3
238.91530	0.4
279.19421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42925	0.9
55.05492	1.3
56.96549	1.8
57.07047	2.0
67.05502	1.8
69.07059	1.4
71.04966	1.3
77.03342	1.0
77.90584	0.9
79.05468	6.1
81.07052	6.9
91.05453	4.0
93.07017	5.9
95.04911	1.5
95.08578	2.4
105.07018	5.2
107.08579	2.3
109.06515	1.2
109.10131	1.0
111.08072	1.2
117.07038	1.3
119.08533	2.4
121.02847	4.7
123.04279	1.1
123.08019	1.6
131.08496	1.7
149.02332	51.1
159.11618	1.0
247.13075	1.6
258.01178	0.9
279.15811	4.7
279.19244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01860	0.9
55.05493	4.3
55.43299	0.8
56.96556	2.2
57.07064	8.9
65.03919	1.1
67.05499	9.3
69.03415	1.5
69.07057	11.6
71.04988	1.7
71.08611	4.1
78.14675	1.0
79.05482	8.4
81.07043	22.3
81.52518	0.9
83.04967	0.9
83.08585	1.8
91.05455	12.9
93.07024	20.2
95.04953	6.0
95.08571	13.5
97.06497	2.0
103.05435	1.2
105.07011	39.3
106.07318	1.2
107.08576	17.9
109.06483	5.3
109.10152	11.7
115.05412	1.5
117.06983	12.1
118.07346	1.0
119.08560	20.9
121.02823	3.6
121.06484	27.9
121.10123	9.1
123.08004	1.1
123.11674	1.7
125.09594	1.1
129.06952	1.9
130.07758	6.1
131.08533	18.0
133.06445	1.5
133.10138	8.1
135.08026	35.0
135.11652	5.3
143.08527	4.2
144.09303	1.7
145.10104	100.0
146.10422	1.2
147.11694	1.7
149.01125	2.2
149.02322	65.8
149.09615	4.6
149.11584	1.1
150.09901	1.5
153.37006	0.9
156.07927	0.9
157.10098	1.5
159.11658	22.3
161.13194	8.9
163.11119	1.2
173.13217	1.5
175.14821	1.2
177.16422	0.9
181.39322	0.9
191.17854	1.2
201.16333	16.6
202.24435	0.9
218.19006	1.7
219.05579	1.4
219.17369	7.6
219.19104	8.2
261.18427	2.1
262.15112	1.2
279.19046	1.7
279.21683	1.9
292.39160	1.0
301.13107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
53.43748	0.8
54.49789	0.9
54.81904	1.0
55.01861	2.2
55.05494	4.2
57.03448	1.2
57.07058	4.7
58.06594	1.7
59.07344	1.1
60.04509	1.7
60.08156	11.4
62.56758	0.9
65.03931	18.4
67.05492	15.7
68.07711	0.9
69.03416	14.8
75.03114	0.9
79.05477	7.0
79.71667	0.9
80.46025	0.8
81.07056	4.4
83.04967	11.2
85.02874	4.9
91.05465	15.3
93.03376	19.3
93.07024	7.6
94.06550	2.4
95.04948	28.7
95.08582	31.9
97.02862	4.6
98.97562	1.4
103.05450	1.1
105.07011	17.4
107.04922	1.6
107.08598	10.9
108.05737	3.8
109.02837	1.6
109.06482	1.9
109.10108	0.9
111.04425	20.8
111.08055	1.0
115.05444	1.7
116.06190	0.9
116.98530	1.0
117.06973	8.1
119.04911	1.8
119.08560	32.1
120.08056	4.2
121.01933	1.3
121.02846	36.6
121.06480	6.4
123.04399	1.2
123.08044	67.0
127.03864	1.0
128.06189	6.6
129.06976	11.2
130.07751	1.8
131.08537	10.7
133.06470	1.9
133.10074	6.2
135.08002	12.8
139.03886	15.2
141.06934	11.8
142.07759	5.0
143.08540	14.9
144.09320	2.0
145.06493	1.9
145.10104	6.6
146.06090	1.6
146.07242	2.1
146.09653	9.3
147.08018	8.6
149.02324	100.0
149.05962	1.6
153.06958	1.1
154.07751	5.3
155.08537	4.8
156.09317	47.3
157.10071	2.0
157.15903	0.9
158.07211	4.6
158.10847	1.2
159.08034	7.4
159.11636	10.2
161.09584	6.3
161.13174	1.6
163.07484	1.4
165.06946	1.6
166.07748	4.4
169.06477	1.8
169.10013	7.2
171.08064	1.6
171.11662	24.5
172.08789	4.7
173.09573	8.9
173.13216	1.7
175.07533	12.5
181.10094	1.6
182.07251	1.3
184.08777	8.5
187.11118	10.4
189.12700	3.8
193.08539	4.9
194.27499	1.0
197.09659	9.3
199.11150	59.1
207.09950	1.1
215.10638	20.2
217.12209	20.4
233.11690	7.0
233.16414	2.1
243.10086	4.2
261.11172	13.6
279.12259	19.1
279.16977	21.3
280.90201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.0
53.03935	0.8
53.54296	0.6
54.81173	0.7
55.01857	1.6
55.05503	19.4
56.12598	0.7
56.55186	0.7
56.96532	1.4
57.03430	29.8
57.07068	6.0
59.04974	4.6
59.18940	0.7
61.02916	7.2
65.03924	0.9
67.05466	1.1
69.03416	31.1
69.07050	3.2
70.06573	1.8
70.07373	1.5
71.01334	6.2
71.04978	23.7
73.02898	38.1
81.03387	4.1
81.07031	1.1
81.51704	0.7
83.04965	66.4
83.65558	0.7
85.02890	24.4
85.03990	0.9
85.06503	1.3
87.04446	1.4
92.09383	0.9
92.47504	0.8
95.08580	1.1
97.02868	28.0
98.97565	7.4
98.98451	0.9
99.04433	19.4
99.08064	1.4
101.05997	86.7
103.03926	1.4
111.04408	1.1
113.42754	0.8
115.03896	10.5
116.07063	1.4
116.98589	3.8
117.05467	18.7
121.02872	5.8
121.06472	1.0
127.03921	2.0
128.98602	1.1
129.05457	20.9
134.05983	8.2
134.99609	3.3
140.04169	0.9
141.07452	1.2
143.08493	0.8
146.99649	1.1
147.06493	29.1
149.02322	100.0
152.07036	4.1
155.66147	0.9
160.07565	3.1
161.09552	0.8
167.03374	1.2
172.07530	1.8
173.77756	0.9
174.09221	0.9
177.00688	4.1
180.04166	0.8
202.08592	1.9
235.10788	1.0
279.13354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
53.43748	0.8
54.49789	0.9
54.81904	1.0
55.01861	2.2
55.05494	4.2
57.03448	1.2
57.07058	4.7
58.06594	1.7
59.07344	1.1
60.04509	1.7
60.08156	11.4
62.56758	0.9
65.03931	18.4
67.05492	15.7
68.07711	0.9
69.03416	14.8
75.03114	0.9
79.05477	7.0
79.71667	0.9
80.46025	0.8
81.07056	4.4
83.04967	11.2
85.02874	4.9
91.05465	15.3
93.03376	19.3
93.07024	7.6
94.06550	2.4
95.04948	28.7
95.08582	31.9
97.02862	4.6
98.97562	1.4
103.05450	1.1
105.07011	17.4
107.04922	1.6
107.08598	10.9
108.05737	3.8
109.02837	1.6
109.06482	1.9
109.10108	0.9
111.04425	20.8
111.08055	1.0
115.05444	1.7
116.06190	0.9
116.98530	1.0
117.06973	8.1
119.04911	1.8
119.08560	32.1
120.08056	4.2
121.01933	1.3
121.02846	36.6
121.06480	6.4
123.04399	1.2
123.08044	67.0
127.03864	1.0
128.06189	6.6
129.06976	11.2
130.07751	1.8
131.08537	10.7
133.06470	1.9
133.10074	6.2
135.08002	12.8
139.03886	15.2
141.06934	11.8
142.07759	5.0
143.08540	14.9
144.09320	2.0
145.06493	1.9
145.10104	6.6
146.06090	1.6
146.07242	2.1
146.09653	9.3
147.08018	8.6
149.02324	100.0
149.05962	1.6
153.06958	1.1
154.07751	5.3
155.08537	4.8
156.09317	47.3
157.10071	2.0
157.15903	0.9
158.07211	4.6
158.10847	1.2
159.08034	7.4
159.11636	10.2
161.09584	6.3
161.13174	1.6
163.07484	1.4
165.06946	1.6
166.07748	4.4
169.06477	1.8
169.10013	7.2
171.08064	1.6
171.11662	24.5
172.08789	4.7
173.09573	8.9
173.13216	1.7
175.07533	12.5
181.10094	1.6
182.07251	1.3
184.08777	8.5
187.11118	10.4
189.12700	3.8
193.08539	4.9
194.27499	1.0
197.09659	9.3
199.11150	59.1
207.09950	1.1
215.10638	20.2
217.12209	20.4
233.11690	7.0
233.16414	2.1
243.10086	4.2
261.11172	13.6
279.12259	19.1
279.16977	21.3
280.90201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03799	3.8
52.99832	3.2
53.66506	3.9
56.29315	3.2
70.71939	3.7
75.44079	5.0
77.02180	4.3
88.38463	4.0
90.08620	4.6
90.79842	4.3
98.97565	100.0
110.97552	20.3
116.98607	49.2
128.98586	38.7
134.99634	9.9
144.82487	4.4
146.99620	18.1
158.99677	9.4
170.99620	5.0
176.48645	4.8
177.00691	32.8
279.04712	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
52.46347	0.8
54.12545	0.8
55.05507	15.4
55.32590	1.1
56.96556	1.7
57.03173	1.6
57.03434	28.3
57.07063	5.8
59.04998	4.0
61.02904	7.6
61.53620	0.9
65.03918	1.6
69.03417	23.2
70.06580	2.1
71.01328	4.2
71.04974	14.7
73.02901	32.8
76.56063	0.9
81.03384	1.2
83.04967	53.8
85.02893	36.1
85.03371	1.9
87.04448	1.2
90.74801	1.0
91.03946	0.9
93.03387	1.2
97.02882	27.3
98.97576	6.2
99.04447	11.6
101.06001	65.1
109.02871	1.8
115.03902	8.4
116.98607	2.4
117.05463	20.1
121.02824	6.7
127.03913	1.8
129.05461	14.2
133.05017	1.2
145.04971	2.1
146.99573	1.4
147.06519	25.5
149.02325	100.0
167.03427	1.4
177.00732	1.1
192.90640	1.0
279.13327	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2113
Annotation	Ici 118551
Peak:m/z	Relative Intensity
53.73890	1.1
55.05499	8.0
57.07064	2.1
58.06595	1.5
59.04983	2.3
59.79253	1.0
60.04525	1.3
60.98615	1.0
67.05477	5.1
69.07057	24.0
71.04955	1.3
79.05457	5.9
80.40141	1.0
80.79031	1.0
81.07037	31.5
82.06566	8.6
83.08625	2.2
85.06544	1.2
91.05459	6.5
91.29554	1.2
93.07022	18.5
94.06534	6.1
95.04923	2.1
95.08591	21.4
97.10168	1.6
104.99266	1.3
105.07024	10.5
107.08575	16.5
108.08114	13.9
109.06487	2.7
109.10144	9.9
111.11711	2.4
117.06989	2.1
119.08573	12.1
121.06483	10.6
121.10125	13.5
122.09650	2.8
123.08055	1.7
123.11710	4.5
124.07547	4.9
125.09652	1.2
131.08568	8.2
133.10075	10.6
134.09612	7.3
135.08029	9.5
135.11646	10.1
136.11197	6.7
137.09590	7.4
137.13231	8.1
139.11116	1.6
145.10101	13.3
147.11646	2.0
148.11162	1.7
149.02269	4.4
149.09630	5.2
149.13223	1.7
159.11636	12.8
160.11211	1.9
161.13184	4.8
163.11124	4.8
173.13194	2.7
174.12746	2.1
175.13516	1.3
175.14824	8.6
177.16388	2.8
191.17943	5.0
193.15814	1.4
201.16376	16.2
209.24037	1.2
218.18958	18.2
219.17387	22.8
233.42949	1.1
237.18509	9.7
260.20010	7.8
268.28949	1.3
278.21094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76593	0.7
53.03928	0.8
54.04693	0.6
54.81582	0.8
55.05505	8.1
56.81350	0.7
56.96540	3.5
57.03430	0.9
57.07075	6.3
57.07290	0.6
58.06585	0.9
58.82994	0.9
60.04511	12.9
67.05497	12.5
69.03450	0.7
69.07053	17.5
70.06204	1.1
70.06578	28.8
71.04961	4.2
79.05476	16.4
81.07037	30.5
83.04967	1.7
83.08592	5.3
84.08134	7.8
84.72762	0.7
85.06517	1.7
87.08166	0.7
91.05463	9.6
93.07026	30.2
95.04939	2.0
95.08013	0.9
95.08590	21.2
95.66381	0.8
96.08118	8.3
96.08624	0.9
96.34675	0.9
97.06489	3.5
97.10131	1.8
99.04414	1.5
105.07013	43.4
105.82095	1.0
107.07867	1.7
107.08581	42.8
108.08112	1.9
109.06499	3.2
109.10144	16.7
110.09662	1.3
110.66762	0.7
111.08058	1.1
112.07594	9.0
117.06985	12.3
119.08559	33.8
120.08118	1.2
121.06449	4.2
121.10126	25.8
123.11693	7.2
125.09597	1.0
126.09152	1.2
129.06993	1.1
130.07761	4.0
131.08556	27.2
133.10101	16.9
134.09612	0.9
135.08020	1.8
135.11670	16.8
137.09575	1.2
137.13242	1.2
138.09169	0.8
139.11163	0.9
143.08533	4.0
144.09311	4.0
145.10106	88.8
147.10481	1.3
147.11661	36.9
149.02287	1.2
149.09572	1.7
149.13213	5.2
150.12746	1.1
157.10086	4.2
158.10863	1.0
159.11668	100.0
161.13219	9.9
162.12732	3.8
163.11151	6.9
163.14806	10.1
165.12749	3.2
173.13237	11.9
175.14792	4.9
176.14349	1.5
177.12744	4.6
177.16380	1.2
188.14091	1.0
190.15915	1.2
191.17943	9.1
201.16356	80.8
202.15933	3.5
213.96655	0.9
217.18324	1.0
218.19019	40.5
219.17397	25.7
236.19980	11.4
237.18469	9.6
260.17319	1.5
260.20020	30.2
278.21082	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03922	1.9
53.33163	1.5
54.44968	1.4
54.81512	1.2
55.01857	2.2
55.05505	16.4
56.96549	7.4
58.81101	1.4
65.83675	1.3
67.05499	23.1
67.84706	1.3
69.03411	10.2
69.07062	16.2
71.04971	3.0
79.05474	71.7
81.03358	1.6
81.07037	65.9
82.65241	1.6
83.04964	1.7
83.08627	1.8
85.06535	1.8
91.05463	26.2
91.07210	1.8
93.07024	53.3
95.04938	8.1
95.08591	51.4
97.06469	2.6
99.04472	2.3
105.07011	47.1
107.08576	100.0
109.06512	14.0
109.10144	9.9
111.08084	2.5
117.06989	5.9
119.08543	25.5
121.06487	3.6
121.10133	12.6
123.08056	7.4
123.11628	1.8
129.07018	2.1
131.08574	10.9
133.10106	17.8
135.08032	3.7
135.11684	28.4
142.07773	1.9
143.08557	5.8
144.87076	1.4
145.10089	11.5
147.11639	10.0
149.09581	2.1
149.13179	2.2
151.11171	2.5
157.10085	7.9
159.11679	8.9
161.13261	3.3
165.12714	2.1
171.11668	2.1
173.13222	2.8
175.14767	3.1
199.14818	3.4
206.84412	1.6
218.16249	1.7
223.34047	1.4
241.19507	6.9
247.54424	1.7
259.16672	7.6
259.20496	6.6
277.17688	27.3
277.21445	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	278.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33141	0.3
53.03942	0.5
55.01863	0.4
61.02896	1.8
67.05494	6.3
69.03390	0.6
79.05470	2.7
81.07035	3.0
87.04446	0.7
91.05463	7.9
93.07027	33.4
95.04952	2.9
95.08591	12.8
97.06535	0.5
105.07015	19.9
107.04952	0.6
107.08585	41.4
109.06512	4.3
109.10148	16.6
109.26331	0.4
114.80566	0.4
117.07001	1.7
119.08563	100.0
121.06507	0.5
121.10137	0.4
123.08047	7.5
135.08054	2.8
137.09599	22.0
141.09085	0.6
147.08051	1.7
153.09097	13.9
155.10681	2.1
165.09088	16.1
180.33250	0.4
183.10123	8.2
201.11200	13.2
201.13007	0.7
278.17578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78570	0.3
55.05506	8.4
58.06591	18.5
58.29110	0.3
60.04511	2.1
67.05484	1.8
69.03407	0.4
69.07049	0.5
72.08143	0.6
76.02340	0.3
79.05448	1.5
81.07053	2.1
82.06916	0.4
83.04967	100.0
84.08154	0.6
91.05457	2.5
93.07020	10.6
95.04993	0.4
95.08580	2.1
96.39364	0.4
100.07607	3.2
105.07008	3.2
106.61981	0.4
107.08581	9.2
108.08944	0.6
109.10128	0.9
111.08049	0.4
117.06999	0.5
119.08595	4.1
121.10110	5.7
131.08530	0.8
133.10110	0.7
135.11653	2.4
145.10100	3.2
159.11684	1.0
173.13187	0.7
179.14265	0.8
201.16383	2.5
218.18962	0.6
219.17406	21.5
221.68170	0.4
260.20062	0.5
278.18130	2.9
278.21063	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	278.2113
Annotation	Neostenine
Peak:m/z	Relative Intensity
55.05509	8.8
56.96555	1.1
57.07061	0.7
58.06314	0.7
58.06591	20.7
60.04296	0.6
60.04516	9.6
61.99040	0.6
67.05490	6.0
69.07042	2.9
71.22816	0.7
72.25278	0.7
79.05473	6.0
81.07050	5.9
83.04967	100.0
83.08594	0.8
86.06048	1.2
86.09679	1.0
91.05451	4.2
92.08685	0.8
93.07023	25.9
95.04957	1.5
95.08575	4.5
96.08915	0.8
97.06516	0.7
100.07571	3.5
105.07039	7.1
107.08569	12.2
108.08907	0.8
109.06504	1.0
109.10123	3.2
119.08571	7.5
121.10125	13.7
124.99918	0.8
131.08528	3.6
133.10100	1.5
135.11671	1.6
145.10107	3.2
147.11653	2.6
149.13232	1.0
159.11655	2.8
161.13223	1.3
173.13287	0.8
201.16365	3.9
218.19084	1.4
219.17422	16.1
260.20041	1.0
278.18195	2.6
278.21069	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	278.2113
Annotation	Neostenine
Peak:m/z	Relative Intensity
52.59626	0.8
53.03934	0.8
55.05489	5.6
56.05021	1.2
56.96558	1.7
58.46628	0.7
60.04517	50.0
62.33145	0.8
67.05502	12.0
68.34586	0.8
69.07053	7.3
70.06563	1.1
71.04974	2.0
74.06053	1.4
79.05470	12.9
79.73491	0.8
81.07047	16.1
83.04959	4.7
83.08611	0.9
91.05464	11.9
93.07030	66.8
95.04951	5.2
95.08594	14.5
96.08105	1.4
97.06490	4.3
98.06062	1.2
105.07023	19.8
107.08585	21.5
109.06475	1.4
109.10149	10.3
111.08079	1.1
117.06989	5.1
119.08562	18.9
121.10132	53.3
123.11682	5.7
131.08542	8.2
133.10075	8.4
135.08086	1.4
135.11662	6.8
136.07494	0.9
145.10100	18.1
147.11618	1.3
149.02301	0.9
149.13275	7.8
153.01396	1.0
159.11668	10.6
161.13242	12.9
163.11156	1.1
173.13232	5.7
178.09167	0.9
178.15874	7.0
201.16382	17.1
217.18304	1.2
218.19037	7.0
219.17371	5.9
236.20023	1.6
270.63232	0.9
278.18063	11.9
278.21075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63322	2.0
53.00316	2.2
53.03941	2.4
55.05503	4.9
56.96560	55.9
57.07067	10.2
58.07411	3.3
59.47497	1.9
67.05493	13.7
69.07050	9.8
70.06580	2.9
71.04990	3.1
71.06920	3.3
73.51962	1.8
75.82905	1.8
79.05472	13.6
81.07034	29.5
88.07613	4.0
89.07949	3.9
89.44301	2.0
91.05466	18.9
93.07018	20.7
94.07316	2.4
95.04951	3.8
95.08592	15.6
101.38299	2.2
105.07014	23.5
106.08622	2.7
107.08561	16.6
109.06530	4.2
109.10143	5.2
112.28744	2.5
115.00649	2.5
115.05386	2.4
117.06967	4.2
119.08556	19.3
121.10141	5.2
123.08033	2.6
123.11702	2.9
129.07045	2.6
131.08542	3.9
133.01689	3.7
133.10135	11.0
135.08063	3.1
143.08604	2.8
145.10124	11.9
156.08025	2.8
159.11694	5.2
199.14690	2.4
201.16486	2.8
219.13582	5.3
235.10037	4.5
245.15115	40.4
253.11017	2.7
259.27319	2.5
275.13168	3.1
276.28000	33.3
277.17703	100.0
277.28299	16.8
293.14340	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05496	25.0
56.49162	3.4
57.07069	13.4
57.59393	3.0
67.05486	32.9
69.03419	5.5
69.07054	47.2
71.04974	17.8
73.71068	2.6
77.03924	3.4
79.05485	23.4
81.07033	67.0
81.72974	3.5
83.08601	14.5
85.06526	25.9
91.05463	34.0
92.08679	5.0
93.07021	61.5
95.04953	44.8
95.08585	84.8
95.70914	3.2
98.73967	3.2
99.08072	6.6
105.07021	88.4
105.07671	6.6
107.08585	64.5
109.06500	69.8
109.07182	4.3
109.10137	42.5
111.08081	6.3
117.07006	18.4
119.08570	95.8
121.06486	8.2
121.10137	44.9
123.08056	59.7
123.11687	15.4
125.09573	4.1
129.06978	5.2
131.08539	56.2
133.10115	63.2
135.08038	28.2
135.11671	21.9
137.09634	4.7
137.13239	4.9
142.07692	4.4
143.08554	15.0
145.10107	90.7
147.11685	40.7
149.13255	7.0
157.10098	41.7
158.10936	5.3
159.11661	88.4
161.09631	5.8
161.13239	39.4
163.11201	4.2
165.12691	4.6
171.11647	13.7
173.13251	53.9
175.11209	5.4
175.14777	27.8
177.16341	4.3
181.15851	6.9
185.13275	7.1
189.16301	4.1
193.15833	4.0
199.14760	24.5
201.16351	100.0
213.16452	3.7
217.19479	38.8
219.17368	12.9
235.20531	7.8
241.19469	34.8
253.17448	3.5
259.20508	85.7
277.18250	6.2
277.21609	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.3
57.07060	6.8
65.03947	4.3
67.05495	35.2
69.07055	47.3
69.88813	4.1
71.04963	21.5
79.05462	22.2
81.07041	72.4
83.08592	8.0
85.06537	32.5
91.05457	36.4
93.07018	66.7
95.04932	33.6
95.08588	99.8
102.66908	5.2
105.07011	100.0
107.08592	54.7
109.06499	82.3
109.10123	37.6
109.54321	4.7
111.08057	10.9
117.07008	19.2
119.08557	99.8
121.06451	11.0
121.10083	53.2
121.91286	4.4
123.08035	71.9
123.11661	29.1
129.06970	6.3
131.08536	53.3
133.10114	81.3
135.08025	30.5
135.11656	24.3
143.08482	18.4
145.10098	96.1
147.11661	57.9
149.13197	6.7
156.15912	5.7
157.10126	27.6
159.11658	91.2
161.13171	36.9
163.11122	5.0
165.64211	4.7
171.11679	10.3
172.12425	4.6
173.13235	51.7
175.11079	7.4
175.14790	29.5
177.16251	5.3
179.14192	5.1
180.78622	4.3
181.15819	8.2
185.13156	7.2
189.16205	6.2
199.14804	26.3
201.16306	91.4
217.19476	41.5
219.17403	25.1
226.16589	5.5
235.20477	8.9
241.19495	36.7
259.20465	87.0
277.21536	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	277.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55320	2.5
55.05497	18.8
57.00386	2.8
57.07050	6.7
65.96584	2.9
66.86069	2.7
67.05480	33.6
69.07057	51.5
71.04964	14.3
71.08622	4.9
79.05473	18.6
81.07044	73.0
83.08614	7.5
85.06520	30.3
91.05454	25.8
93.07025	63.5
95.04964	35.8
95.08587	84.0
97.06535	3.5
97.10123	5.3
105.07016	87.8
107.08585	76.8
109.06504	75.6
109.10138	54.5
111.08028	3.6
117.07005	20.6
119.08562	100.0
121.06465	7.5
121.10102	45.9
122.41830	3.4
123.08052	69.3
123.11690	19.3
125.09630	4.2
129.06987	3.4
130.07733	3.6
131.08572	44.7
133.10118	79.0
135.08017	28.1
135.11668	25.1
137.09583	4.6
137.13258	7.2
143.08522	21.0
145.10115	85.8
147.11673	42.9
157.10118	29.7
158.10942	6.0
159.11670	94.2
161.13254	36.4
163.11165	5.8
165.12802	5.0
171.11661	15.9
173.13234	39.7
175.11058	6.8
175.14799	32.8
177.16371	5.9
181.15781	5.9
185.13272	7.2
189.16335	15.3
193.15924	6.3
199.14758	26.4
201.16353	93.4
215.17928	5.1
217.19499	45.0
219.17415	17.5
235.20380	5.6
241.19501	41.1
259.20538	93.8
277.18365	4.1
277.21567	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64630	0.5
50.74903	0.5
53.57750	0.5
66.78798	0.6
127.44274	0.7
143.62376	0.7
177.08839	7.9
215.11946	0.6
236.05519	0.6
273.26715	0.6
277.17697	100.0
282.93124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47805	1.5
79.05492	1.7
92.19473	1.4
109.21694	1.5
132.83122	1.8
138.31537	1.4
152.75105	1.5
177.08833	2.8
219.28743	1.7
224.59363	1.9
256.86679	1.8
260.07513	1.6
276.27850	12.3
277.17700	100.0
277.28156	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	277.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03803	0.7
53.21313	0.6
54.00168	0.7
54.17336	0.8
56.70440	0.8
58.91393	0.7
61.96332	0.7
62.95996	0.8
64.33057	0.8
70.12354	0.8
73.44914	0.7
85.01224	0.7
100.68397	0.8
105.91312	0.8
122.48431	0.8
123.20496	0.8
133.13881	1.0
148.48737	0.9
177.08875	5.3
184.51964	0.9
259.16614	1.8
277.17694	100.0
278.18073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81754	1.1
56.99203	0.7
65.16634	0.7
69.63185	0.7
102.35854	0.8
177.08820	1.0
277.17691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.177
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53303	0.9
70.06568	1.7
70.31131	1.1
88.07619	1.4
109.25121	1.3
109.93359	1.2
112.27219	1.3
118.53845	1.2
172.44582	1.2
177.08878	6.6
245.23981	1.3
269.67355	1.2
270.47333	1.1
276.27966	6.6
277.17682	100.0
277.28299	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	276.1958
Annotation	Lycoflexine
Peak:m/z	Relative Intensity
55.01874	3.6
55.05497	10.5
56.96553	12.4
57.07055	2.3
58.06593	36.4
59.04973	1.6
62.03197	1.6
64.34000	1.8
65.03889	1.7
67.05492	14.1
67.34174	1.5
69.03419	24.2
69.07063	15.5
70.06578	12.1
71.04982	7.2
71.95531	1.7
79.05479	57.6
81.07040	49.4
82.06555	3.3
83.04965	2.0
84.08127	2.6
85.06520	2.1
91.05454	23.9
93.07025	30.1
94.06532	2.9
95.04951	7.5
95.08591	22.8
97.06519	47.9
99.04440	9.5
105.07024	34.4
107.08585	50.0
108.08102	2.8
109.06524	8.5
109.10159	4.4
117.07034	4.0
119.08578	19.3
121.10107	6.7
122.09636	3.1
124.36485	1.8
125.05975	73.8
131.08510	19.6
133.10114	25.4
133.11041	2.3
134.09624	2.5
135.08049	3.2
135.11681	8.8
139.18817	1.6
142.07802	4.4
143.08543	11.4
145.10136	3.6
147.11690	4.5
157.10098	13.8
159.08043	10.2
159.11670	22.7
160.08357	2.2
161.09610	3.0
164.67113	2.0
171.11694	2.7
173.13220	7.1
175.11099	3.1
183.11568	2.4
189.16341	2.3
199.14807	3.4
201.12700	2.2
217.15831	4.5
219.13771	4.0
234.18477	3.2
248.19998	4.3
258.18457	7.6
276.16498	22.8
276.19547	100.0
276.25314	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	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81884	0.7
56.96560	11.7
57.63986	0.5
76.56493	0.5
98.97563	100.0
101.00852	3.1
108.38062	0.6
116.98602	81.9
118.98164	0.7
119.01900	18.7
120.01987	2.8
121.01642	4.3
134.99635	42.8
137.02924	7.2
138.03014	0.6
139.02699	2.4
142.03432	4.1
143.03592	0.8
144.03296	0.6
153.00685	6.0
157.03409	1.2
160.04517	0.8
161.02933	4.4
161.04475	0.8
175.04478	1.1
177.00929	6.1
178.00992	2.9
179.00636	6.9
205.02324	0.8
219.01949	3.1
220.02133	0.8
221.01770	3.7
230.98575	0.6
234.99756	1.0
240.95244	0.6
240.98613	2.9
245.01749	0.6
250.99147	4.8
251.49263	2.9
251.99071	1.3
256.96579	6.4
257.96796	4.0
258.96399	9.0
258.99707	31.5
259.96457	1.3
260.96060	0.6
261.00116	0.9
261.02994	8.5
262.03137	6.1
262.49973	2.8
263.00119	1.2
263.02759	9.2
274.97549	2.8
275.97772	0.9
276.97568	6.4
277.00745	76.3
279.00754	1.3
282.99725	0.9
283.99933	0.9
284.99683	3.2
294.98361	0.7
295.01651	1.0
295.08737	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	276.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
54.09853	2.1
55.01869	4.5
55.05515	24.3
57.03413	1.9
57.07625	1.9
62.98277	2.1
65.03928	3.0
65.51619	2.3
67.05495	65.3
69.03424	4.0
69.07053	13.0
71.04965	3.2
79.05478	69.2
79.90094	2.3
81.07045	70.1
83.04964	11.1
83.08583	2.3
88.69987	2.1
90.79800	2.1
91.05468	94.5
93.07030	80.0
95.04974	21.1
95.08598	58.2
97.06532	13.4
103.05454	3.8
105.07021	100.0
106.07812	3.0
107.04886	4.8
107.08584	49.9
108.09371	3.7
109.06495	12.9
109.10152	11.6
111.08085	3.8
115.05463	4.8
117.07026	34.2
119.08571	61.3
121.06496	4.2
121.10140	27.4
122.07236	2.9
123.08029	11.0
128.06210	15.4
129.07004	31.9
130.07773	3.3
131.08545	42.3
133.06473	3.7
133.10129	48.4
134.10916	3.9
135.08078	3.3
135.11691	4.8
137.09560	2.7
142.07776	12.7
143.08551	32.5
144.09314	3.9
145.10115	38.4
147.08072	16.9
147.11652	19.9
148.12482	2.6
149.09616	5.4
157.10107	40.2
159.11674	20.7
160.12450	2.5
161.09583	15.2
161.13263	10.4
162.10394	2.6
171.11713	13.8
172.12492	9.2
173.13249	13.4
174.13982	5.1
174.97749	2.7
175.11168	16.2
175.14786	11.9
176.11906	2.8
185.13206	3.6
187.14725	2.8
189.12733	12.8
189.16370	13.1
190.13498	11.9
199.14842	3.8
200.15530	3.5
201.16356	18.5
201.30183	2.1
202.36191	2.7
203.14322	4.9
217.15848	3.9
218.16609	24.1
234.18454	9.7
258.18481	2.7
276.16476	15.4
276.19574	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	276.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
54.81369	1.7
55.01867	3.5
55.05506	24.8
64.33049	1.7
65.03904	1.5
66.27660	1.5
67.05496	51.9
69.07066	16.0
71.04989	3.4
76.83897	1.5
79.05479	67.2
81.07044	61.3
83.04966	9.3
88.12463	2.1
89.52795	1.8
89.65273	1.7
91.05462	82.5
93.07034	72.2
94.07778	2.0
95.04959	17.0
95.08591	52.1
95.23057	1.8
97.06522	12.5
103.05445	2.0
105.07022	100.0
106.07768	2.5
107.04959	3.5
107.08582	49.8
108.09399	2.6
109.06516	11.0
109.10161	11.3
110.93491	1.9
111.08055	3.2
115.05418	2.7
117.07001	31.2
118.07783	2.2
119.08569	54.4
120.09343	3.5
121.06473	4.0
121.10145	17.0
123.08051	7.6
128.06221	12.2
129.07018	26.0
129.33481	1.8
130.07748	3.0
131.08553	46.8
133.06470	3.5
133.10126	46.4
134.10811	2.0
135.08049	8.3
135.11653	4.2
136.08832	2.2
141.06978	3.0
142.07782	10.0
143.08557	23.1
145.10127	34.8
146.10904	2.1
147.08037	16.0
147.11679	18.6
148.12518	2.3
149.09627	2.3
152.90535	2.7
153.37256	1.9
155.08606	2.4
156.09325	4.6
157.10112	27.1
159.11716	23.5
161.09619	11.3
161.13223	9.4
162.10429	1.9
162.99887	1.8
171.11667	11.1
172.12448	9.3
173.13245	11.3
174.14021	9.7
175.11211	12.8
175.14764	10.3
176.11955	3.3
185.13252	9.5
186.64005	2.0
188.09070	2.1
189.12791	14.0
189.16385	13.3
190.13545	9.4
199.14867	9.1
200.15678	3.0
201.16350	7.6
203.14326	8.5
216.17406	2.4
217.15886	2.7
218.16652	23.7
222.66273	2.2
234.18623	3.5
235.16948	3.8
237.20471	1.9
258.18527	2.8
276.16513	16.4
276.19568	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01865	1.4
55.05513	14.2
56.95993	1.2
56.96560	2.9
58.50461	1.4
67.05496	28.7
69.07064	10.8
71.04967	6.0
79.05477	28.5
81.07041	32.2
83.05048	1.8
83.08599	2.3
85.06525	2.0
91.05462	55.4
93.07027	48.6
93.61034	1.4
95.04978	2.3
95.08590	30.5
97.06503	2.4
99.04428	5.4
105.03368	2.2
105.07011	63.3
107.08582	27.4
108.08907	1.7
109.06519	1.7
109.10154	14.5
117.07005	15.8
119.08565	54.2
121.10122	22.0
123.04189	18.2
123.08076	1.8
123.11705	2.3
129.06976	3.5
131.08528	18.5
133.10109	57.8
135.08046	5.9
135.11671	9.8
139.60973	1.5
141.06993	5.7
145.10092	14.0
147.08009	1.6
147.11671	44.3
149.09586	5.4
149.13200	3.4
155.08527	1.9
157.10115	2.5
159.11659	14.9
161.09615	5.5
161.11908	2.4
161.13229	67.0
169.10138	3.2
171.11679	5.8
173.13217	13.6
175.11108	2.7
175.14821	2.8
179.10634	2.7
180.64748	1.5
183.11708	7.8
193.12090	1.9
197.13211	3.0
201.12799	3.0
211.14801	1.8
212.69226	1.4
215.17894	6.8
219.13776	1.9
229.15929	5.7
239.17770	10.4
257.15210	6.0
257.18976	6.7
275.16147	100.0
275.19998	62.1
275.22891	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	276.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	16.6
54.63655	2.4
54.81751	2.4
55.01867	4.5
55.05496	41.8
55.19074	2.4
57.03420	13.9
57.07063	2.8
58.12510	2.2
59.04983	12.4
61.02916	61.6
63.12049	2.2
63.49244	2.6
67.05493	35.6
69.03384	4.2
69.07040	21.0
69.29031	2.5
71.04610	4.4
71.04977	100.0
72.76742	2.5
75.04494	3.4
79.05470	44.4
81.03397	10.8
81.07031	45.0
83.04964	11.2
84.08916	2.4
85.06534	56.8
87.04453	49.3
91.05457	66.9
93.07014	96.6
95.04942	49.6
95.08588	35.3
97.06490	12.2
98.97573	3.8
99.00665	2.6
99.04438	50.0
103.05434	4.7
105.07026	56.2
107.04923	5.7
107.08592	20.0
107.36585	2.6
109.06499	16.8
109.10146	5.6
113.05971	11.8
117.06974	12.1
119.08566	15.2
123.08038	5.0
131.08540	14.2
133.10078	4.5
134.09602	3.9
135.07990	3.1
137.09579	21.8
145.10043	5.1
147.11644	4.2
157.10056	3.0
180.72777	3.0
182.30600	3.2
183.09151	3.0
208.13315	5.6
276.19498	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	275.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32668	1.4
60.53294	1.2
70.08041	1.5
74.24995	1.5
79.03380	1.3
137.17575	1.5
164.79445	1.5
196.89005	1.4
204.68860	1.6
247.12988	100.0
255.08238	1.7
275.16086	28.0
287.87976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	3.6
57.07071	2.8
66.72500	1.5
66.90288	1.7
80.73539	1.5
81.07030	2.7
84.19445	1.5
92.09242	1.6
93.07036	2.8
103.05454	2.8
104.05768	2.2
105.07015	2.2
119.08560	1.7
131.04903	7.5
132.05226	2.3
143.08519	1.8
185.04903	2.3
202.58823	1.9
203.05943	11.2
211.06342	2.1
229.07448	11.9
247.12971	8.6
257.15195	2.6
275.13107	3.7
275.16129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03943	2.5
55.05507	18.2
67.05493	50.2
69.07054	12.5
71.04979	4.0
79.05476	43.5
81.07038	55.9
83.08597	2.3
85.06519	2.8
91.05463	70.0
93.06483	3.3
93.07024	58.1
95.04955	3.9
95.08593	43.9
97.10127	3.0
105.07016	63.8
107.08584	37.4
109.10140	21.3
117.06993	13.3
119.08563	61.1
121.10128	29.4
123.11655	2.9
129.06976	8.9
131.08556	24.3
133.10112	48.0
135.08035	4.5
135.11682	12.4
143.08530	4.2
145.10127	23.6
145.11154	3.2
147.08015	2.9
147.11682	44.0
149.09579	4.5
149.13229	3.2
157.10117	8.2
159.11632	16.5
161.09612	8.2
161.13252	22.7
163.11166	4.1
169.10057	8.9
171.11662	4.5
173.13242	9.8
175.11191	3.5
175.14748	3.2
179.10654	3.3
183.11571	7.9
187.11186	3.0
187.14929	3.4
193.12199	3.6
197.13303	3.3
198.93855	2.7
201.12733	3.6
215.14197	2.8
215.17888	18.3
229.15872	8.3
239.17896	12.0
257.18933	13.1
275.16187	31.5
275.20010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
91.37255	1.0
93.86561	1.4
100.98175	1.2
105.71310	1.1
115.64908	1.2
116.94293	1.2
275.16122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67955	1.1
54.80005	0.8
55.05497	4.6
55.69194	0.7
56.96546	1.3
57.07064	10.2
62.73323	0.8
67.05485	7.0
69.07041	4.6
70.06573	13.9
71.06887	1.1
71.08614	4.8
79.05482	9.0
81.07032	8.9
85.06522	1.7
88.07623	13.6
89.07934	1.3
91.05460	18.3
93.07027	7.9
95.04948	2.0
95.08578	4.9
102.09156	6.4
103.05454	4.9
105.07006	22.7
105.07650	1.2
106.08665	7.8
107.08579	4.4
113.79181	1.0
117.06979	5.8
119.08566	12.0
121.06549	1.3
121.10139	2.0
127.07533	1.1
131.04903	12.6
131.08551	7.2
133.10104	9.8
143.08582	1.4
145.10123	5.0
147.11656	6.1
149.09654	1.4
153.75992	0.9
158.11095	1.0
159.11633	1.7
161.13147	1.1
171.11604	1.0
173.09532	1.0
177.08842	17.6
187.14670	1.4
202.57283	1.0
212.23830	1.4
239.17943	1.4
256.26294	2.0
257.18912	1.3
274.27344	44.2
275.16138	100.0
275.19971	16.8
275.27673	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44012	1.0
56.96549	2.4
59.54648	1.0
59.75550	1.0
81.07027	1.9
82.25009	1.1
141.02190	1.6
159.03258	1.7
181.05733	1.5
275.16125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
56.96566	8.7
57.07068	1.3
60.34116	0.9
60.92547	1.0
64.96575	1.0
67.05483	1.4
69.07043	1.9
71.04959	5.1
79.05475	4.3
81.07030	7.0
83.04958	1.2
91.05429	4.1
93.07024	7.4
95.04913	1.3
95.08589	5.5
97.06503	1.0
99.04432	2.1
105.07002	7.0
107.08573	5.4
109.10141	1.9
117.07002	1.2
119.08553	4.3
121.10097	1.6
123.04144	5.9
135.08022	1.5
135.11671	5.0
136.12082	1.3
145.10075	1.8
175.10953	2.5
190.82631	1.1
202.93605	1.2
203.05856	2.2
229.07382	1.2
241.18271	1.1
257.14993	1.7
275.16125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90537	2.5
50.98360	2.4
54.81747	2.6
55.05515	5.0
56.94080	2.7
58.02822	2.5
59.84660	3.2
62.43290	2.9
69.07057	7.5
79.05481	4.7
81.03183	4.2
81.07029	4.5
87.42703	3.0
91.05458	5.8
93.07050	12.8
93.43860	3.2
95.08569	7.2
101.80721	3.3
105.07021	6.9
107.08572	4.9
109.06506	4.1
119.08592	5.7
131.08574	4.6
133.10078	4.7
135.08000	4.6
143.08612	3.5
145.10115	5.8
241.14851	3.3
247.13026	19.1
274.27319	5.0
275.13562	6.0
275.16171	100.0
275.19888	17.5
275.27847	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37835	1.1
51.27995	1.3
54.21087	1.0
54.81636	1.2
62.15250	1.1
64.42532	1.2
67.05483	1.2
71.04968	1.6
72.26719	1.2
78.94104	1.4
82.79752	1.2
83.07955	1.1
93.07035	1.5
99.34929	1.2
103.14877	1.3
105.06998	1.6
107.08554	1.6
133.10106	1.8
148.28523	1.5
199.42494	1.4
239.16321	1.6
249.12129	1.4
275.16132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80434	4.3
58.70309	3.6
81.07026	4.9
81.60378	4.2
82.47194	5.1
93.24903	4.4
105.07008	5.3
107.08553	5.1
121.10155	5.3
125.31523	4.9
133.10066	5.6
169.69577	4.3
274.27298	5.8
275.13998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.81777	0.2
55.01850	0.2
55.05505	10.7
57.03425	1.1
57.07070	0.5
65.03915	0.6
67.05491	31.2
69.03412	1.0
69.07054	6.6
73.02877	0.3
79.05466	0.5
85.02892	2.9
85.10137	0.3
91.05456	1.1
93.07022	8.4
95.08582	100.0
97.02854	0.3
97.10149	1.0
105.07020	0.6
107.08563	0.3
113.09631	6.4
119.08587	0.4
129.06989	0.5
135.27075	0.3
142.07736	1.1
143.08600	0.3
157.10069	0.4
256.21338	0.3
260.88867	0.3
275.80344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.06646	0.5
55.01857	1.2
55.05508	9.8
56.96569	1.3
57.03421	4.4
57.07072	0.9
59.04992	2.7
67.05486	6.3
68.37964	0.6
69.03420	0.9
69.07060	6.9
71.04976	32.3
71.64303	0.6
72.62861	0.5
79.05471	4.8
81.03396	1.1
81.07043	14.2
83.04965	4.8
83.08630	6.9
85.06543	2.7
88.60670	0.6
89.30743	0.5
91.05478	8.6
93.07024	21.0
95.04942	5.3
95.08588	16.5
97.06530	6.7
97.10162	0.9
98.97581	0.6
99.04438	100.0
101.05996	3.1
105.07018	11.3
107.08583	21.5
109.06523	4.3
109.10159	8.9
111.08082	2.4
115.07606	0.8
116.98613	0.7
117.07023	1.2
119.08562	18.8
121.10151	5.9
123.08035	6.3
123.11648	7.1
131.08572	4.0
133.10106	28.2
135.08061	1.3
135.11673	53.8
137.09593	3.9
139.11148	1.4
141.09070	9.5
143.08543	0.9
145.10126	3.2
147.11684	3.1
149.09651	0.7
151.07538	1.0
151.11147	1.0
153.12775	2.9
155.10643	0.9
161.13268	0.9
163.11328	0.6
173.13339	0.9
175.14806	33.1
179.14268	17.3
193.15865	18.7
203.14357	1.0
211.16875	6.4
221.15338	36.5
239.16391	31.5
257.13828	0.7
257.17532	1.3
274.15259	1.3
275.12750	1.0
275.16165	2.4
298.50980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05497	10.5
56.96548	3.8
57.03418	3.9
57.07052	1.7
59.04972	1.3
67.05491	11.2
69.07050	10.5
71.04970	14.8
79.05473	24.4
81.07037	100.0
83.04958	1.2
83.08589	4.9
85.06534	3.0
88.01600	0.8
90.86771	0.7
91.05457	14.6
93.07024	39.7
95.04947	3.3
95.08590	22.1
97.06484	4.2
98.97575	3.1
99.08047	3.6
105.04419	0.7
105.07008	32.7
106.01652	0.7
106.36628	0.9
107.08576	53.6
107.86671	0.7
108.08864	1.0
109.06528	1.5
109.10143	18.9
111.08024	1.1
111.83324	0.8
116.98635	1.0
117.06976	1.6
119.08555	37.5
120.08910	0.7
121.10124	6.9
123.08092	0.9
123.11688	14.0
125.09610	0.8
127.11160	6.8
131.08554	1.8
133.10107	24.5
135.11668	64.1
137.13170	1.0
139.07471	1.0
143.10649	5.8
145.10101	3.9
147.11655	15.2
149.13255	1.2
153.12698	3.9
159.11639	1.8
161.13242	7.5
162.57028	0.8
163.14729	1.1
175.14822	1.5
187.14749	1.4
203.17946	22.2
205.15855	1.2
221.18933	12.6
274.15063	1.2
275.16165	1.0
287.49976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.75724	0.4
56.52298	0.4
57.06814	0.8
57.07064	14.9
58.06560	0.6
60.07377	0.5
61.21069	0.5
62.38145	0.6
70.06207	1.2
70.06577	26.0
71.08613	6.0
85.10150	0.9
88.07612	28.9
94.69344	0.5
102.09163	7.9
106.08649	12.0
106.81302	0.5
209.54260	0.6
230.24696	1.2
256.26300	11.1
274.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81348	0.6
59.06372	0.5
65.03912	2.7
67.05480	2.8
69.03413	1.3
74.57954	0.4
76.55907	0.5
79.62463	0.5
82.99819	1.3
83.04958	3.0
84.95198	0.4
85.01343	0.5
86.99313	0.7
93.03387	2.6
95.04948	5.4
97.02852	1.0
98.97538	0.7
101.00858	25.1
103.02429	1.0
105.00353	0.6
109.01349	1.3
111.04422	3.6
119.01896	100.0
120.02045	0.5
121.02829	8.0
125.04464	1.2
127.02390	9.9
129.03928	2.5
131.01888	1.3
133.03455	2.6
137.02928	29.7
139.02400	0.8
139.03870	2.5
141.03941	1.1
142.03381	0.6
143.01900	4.1
143.05569	2.1
145.03444	84.4
147.01344	1.0
147.04984	2.6
151.02368	1.0
153.03935	2.2
157.03433	16.7
159.05029	2.6
161.02914	12.3
161.06549	1.3
163.01636	0.5
163.04510	7.1
167.01855	1.1
169.03427	53.6
171.01360	1.2
171.04985	15.1
172.95250	0.7
173.02942	0.9
175.04518	6.1
179.01865	0.8
183.05029	1.0
185.02913	32.8
185.06497	2.7
187.04485	92.3
189.02386	2.9
189.06151	4.4
193.03406	0.9
195.04967	4.3
197.02925	14.4
203.03981	10.2
205.05556	13.3
205.42577	0.6
210.75882	0.6
211.04485	5.5
213.02428	1.0
213.05972	4.2
215.03967	20.0
221.02919	5.2
222.04179	0.6
227.03992	0.7
229.05536	27.2
231.03459	2.5
239.04028	2.4
247.06590	16.4
249.04408	0.9
257.04956	5.6
275.06055	65.3
293.07080	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	275.0911
Annotation	Methysticin
Peak:m/z	Relative Intensity
55.01865	9.2
56.96554	11.3
62.07803	6.9
62.47437	6.2
79.05489	8.8
85.02906	11.5
91.05447	36.0
93.07035	13.8
95.08571	11.6
97.00101	8.0
98.97564	45.1
105.07015	18.8
106.92165	8.3
115.05457	46.5
116.98618	38.0
117.07034	10.8
128.06155	11.7
129.06996	32.0
131.04941	15.4
134.99623	37.2
141.06970	100.0
142.07750	9.7
143.04916	8.8
144.05713	11.6
145.06496	14.5
146.03632	14.2
155.04878	10.7
155.06071	8.7
157.02872	11.6
157.06474	13.4
158.07277	11.2
159.04439	13.1
159.08005	12.0
160.05286	10.3
161.05991	36.9
168.05699	16.8
169.06418	72.3
171.04408	45.3
175.07558	10.9
179.78334	8.4
185.05914	12.3
186.06789	35.6
187.07503	13.6
189.05475	31.9
191.07039	51.0
196.05185	13.2
197.05974	49.2
199.03830	13.4
200.04614	17.2
203.07018	9.1
204.07797	10.5
214.06250	31.1
215.07050	47.7
217.04926	12.7
229.08650	11.4
231.06566	16.1
232.07141	8.4
243.06461	33.6
245.04550	18.3
247.09618	11.2
257.08014	16.9
257.34390	8.4
260.06888	68.2
260.09341	11.5
274.97546	9.0
275.09055	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	beta-Springene
Peak:m/z	Relative Intensity
50.00150	3.9
51.23697	3.3
55.05502	20.5
57.07060	7.1
67.05499	35.9
69.07059	49.8
71.39555	4.2
75.01338	4.0
76.76825	3.8
78.28296	3.7
79.05463	29.1
79.14066	3.6
79.83813	3.7
81.07037	100.0
81.92970	3.6
83.08607	16.3
84.20116	4.0
87.08549	4.0
91.05446	9.1
93.06477	6.1
93.07026	65.0
95.08585	92.7
97.10124	8.2
105.03349	4.8
105.07015	40.7
107.08587	77.9
109.10152	79.0
119.08559	35.8
121.10126	53.9
123.11687	50.0
124.02048	4.7
133.10110	27.7
135.11690	26.0
137.13232	8.1
147.11688	20.4
149.13234	43.2
151.14813	4.3
161.13174	30.2
163.14813	21.6
175.14827	8.7
177.16388	9.0
195.96841	4.3
203.18007	9.8
217.19572	17.0
273.25745	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85925	0.2
53.00265	0.3
55.05482	0.4
56.09658	0.3
56.96564	0.3
57.07066	13.2
58.06581	0.5
62.06052	0.5
69.20877	0.3
70.06573	19.9
70.60059	0.3
71.08624	4.8
75.08430	0.3
76.56618	0.3
81.07025	0.5
85.10160	1.5
88.07609	25.1
102.09156	7.5
106.08649	11.7
107.37571	0.4
126.36824	0.3
134.66222	0.3
212.23701	0.3
230.24759	0.5
233.36845	0.3
240.39638	0.3
245.43738	0.3
256.26263	8.3
261.26962	0.3
274.27335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85925	0.2
53.00265	0.3
55.05482	0.4
56.09658	0.3
56.96564	0.3
57.07066	13.2
58.06581	0.5
62.06052	0.5
69.20877	0.3
70.06573	19.9
70.60059	0.3
71.08624	4.8
75.08430	0.3
76.56618	0.3
81.07025	0.5
85.10160	1.5
88.07609	25.1
102.09156	7.5
106.08649	11.7
107.37571	0.4
126.36824	0.3
134.66222	0.3
212.23701	0.3
230.24759	0.5
233.36845	0.3
240.39638	0.3
245.43738	0.3
256.26263	8.3
261.26962	0.3
274.27335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2056
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
55.01864	1.8
55.05503	17.6
57.07061	8.3
59.04978	3.7
63.01788	1.7
65.47992	1.6
67.05192	2.2
67.05496	37.7
69.03397	8.1
69.07056	32.0
71.04974	12.9
71.08603	2.3
73.06506	2.1
79.05478	36.2
81.07040	100.0
83.04967	2.1
83.08592	9.7
84.27591	1.8
84.89998	1.6
85.06550	4.2
85.22560	1.9
86.91853	1.8
87.04448	4.2
91.05456	46.8
93.07026	66.2
95.04948	8.3
95.08587	82.5
95.21925	2.0
97.06496	7.5
97.10146	3.5
99.08081	2.4
105.06290	1.9
105.07011	77.2
107.08581	84.9
107.90285	2.0
109.06506	2.6
109.10145	71.8
111.08069	3.0
117.07001	37.7
118.81577	2.1
119.08565	61.4
121.06496	8.2
121.10120	51.7
123.08061	3.4
123.11687	16.0
127.11169	9.5
129.06967	1.9
130.07770	3.0
131.08537	36.4
133.10101	38.1
135.08037	3.2
135.11667	81.4
139.11189	1.9
144.09332	2.8
145.10107	47.9
147.11684	11.0
149.13257	11.4
151.11111	7.3
151.14819	4.1
159.11667	54.3
161.13203	14.9
163.11150	13.1
166.34319	1.9
173.13206	4.5
175.14827	13.3
177.12686	3.0
177.16423	2.3
186.29431	2.1
189.16356	8.7
191.14273	35.0
191.15804	2.1
191.16154	3.3
191.17911	72.1
201.16351	38.3
209.18932	2.9
215.71043	1.8
219.17398	48.7
237.18454	35.6
243.04526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2057
Annotation	Actinopolysporin A
Peak:m/z	Relative Intensity
50.21122	0.9
52.18599	0.9
53.00304	1.5
53.03926	1.8
55.01854	1.6
55.05502	12.8
57.03429	2.1
57.07061	1.7
59.04980	1.1
65.03929	1.0
67.05197	1.3
67.05494	24.4
69.03416	12.8
69.07046	11.8
71.04614	1.6
71.04977	30.5
74.23843	1.0
79.05469	22.1
81.03419	1.7
81.07036	51.8
83.04971	3.9
83.08595	1.6
85.06505	1.7
91.05460	41.7
93.07022	38.7
95.04939	10.6
95.08575	19.1
97.02900	1.6
97.06499	7.3
99.04426	16.0
99.08071	4.8
103.05418	1.1
105.07010	94.1
107.08572	30.6
109.06510	14.8
109.10146	29.2
111.08058	4.9
117.07008	9.0
118.07782	1.2
119.08559	17.7
119.14279	1.1
119.85815	0.9
120.08910	1.2
121.02914	0.9
121.06522	1.2
121.10113	13.1
123.08022	2.3
123.11684	7.6
125.09621	10.5
127.11160	14.8
129.07042	1.2
130.07787	1.8
131.08525	18.6
133.10106	100.0
135.08049	2.1
135.11633	4.5
137.09586	14.5
139.11142	2.5
143.10591	1.9
143.87054	1.3
144.09302	1.1
145.10112	19.9
147.11668	6.4
151.11143	21.1
153.09132	1.4
155.10652	8.2
159.11632	9.2
161.13237	2.3
173.13220	4.1
175.14751	1.6
176.47682	1.1
177.12715	1.9
181.06407	2.0
191.14185	1.0
201.16385	7.5
219.13742	2.4
219.17395	14.2
227.06958	2.0
237.14816	5.7
237.18417	5.4
255.06407	11.7
273.16516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.5
57.07071	82.6
58.07404	13.1
62.60477	1.0
67.05498	2.0
67.32557	1.2
67.49686	1.1
69.07061	1.9
71.04987	9.7
79.05486	2.0
81.07040	7.8
82.07410	1.3
85.06535	62.8
86.06423	1.2
86.06844	10.5
91.05448	5.1
92.08739	1.3
92.64611	1.2
93.06577	1.2
93.07040	19.1
94.07356	4.6
95.04934	1.1
95.08575	2.0
97.06541	1.9
105.07009	5.5
107.08561	6.5
109.06466	1.5
109.10131	4.4
111.08060	7.5
119.08569	2.2
120.08889	1.3
121.10107	2.0
127.07567	1.3
133.10059	2.2
135.08057	1.5
149.13234	6.1
150.13560	1.7
159.11668	1.8
167.14238	8.8
168.14679	2.7
220.14165	1.9
223.37511	1.5
255.13582	1.5
273.14569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.6
56.96560	4.2
57.07046	0.6
64.90897	0.6
67.05482	4.3
67.35852	0.5
69.07057	4.6
71.04967	0.7
72.05287	0.6
79.05476	4.2
81.07043	8.6
85.06518	2.9
91.05455	3.6
93.07014	6.0
94.07320	1.2
95.04933	0.8
95.08588	3.9
96.08923	0.9
97.06519	1.1
98.26964	0.5
99.08088	0.7
103.05431	0.7
105.03362	1.0
105.07030	4.5
107.08552	4.3
109.06482	0.7
109.10116	2.9
116.16193	0.7
117.07000	1.0
119.08532	3.5
120.08913	0.6
121.10130	1.4
125.09548	0.7
131.04893	2.9
131.08531	3.0
133.10075	2.5
135.11662	1.4
145.10057	1.2
149.13292	0.6
151.11162	0.8
157.10138	1.0
159.11658	1.0
201.16379	0.8
219.17458	1.1
273.14554	100.0
273.72498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0368
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
53.03931	0.5
55.01867	0.8
55.05505	5.5
56.96555	4.4
57.03431	3.8
58.03748	0.4
61.02908	0.8
65.03921	4.3
67.05492	9.1
68.05816	0.3
69.03423	3.9
71.04971	0.6
73.02894	0.8
75.04454	0.7
81.03397	0.8
83.04965	18.1
85.02888	6.6
86.03245	0.7
87.34498	0.3
91.03901	0.5
93.03384	5.2
93.05497	2.1
95.04955	4.0
96.04472	1.5
97.02866	2.8
98.06059	0.8
98.94006	0.4
98.98445	100.0
108.02399	1.8
111.04422	13.7
111.89861	0.4
115.93445	0.4
116.98608	2.0
116.99480	4.7
119.01892	1.5
121.02855	8.3
122.03182	0.4
125.04461	1.6
127.03909	1.6
131.01865	0.8
134.99669	0.8
139.03888	19.3
143.00227	0.4
143.01897	0.4
145.03271	0.4
145.04935	0.8
149.48711	0.5
153.03961	0.8
157.04936	7.1
159.05025	0.4
161.02966	1.9
169.01692	0.7
169.03452	1.4
171.05005	3.2
173.02963	1.4
185.02873	0.4
187.02818	0.5
187.04378	0.5
189.00732	0.4
197.02870	2.7
213.00642	0.6
215.03979	0.8
231.01906	1.3
243.75423	0.4
245.05112	0.4
249.02672	0.5
263.05984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36951	3.9
55.05504	8.8
56.60122	3.4
56.96553	7.0
57.07081	4.2
67.05495	17.4
69.07056	9.6
71.04955	7.5
71.08612	4.6
79.05507	16.1
80.72575	4.2
81.07050	35.6
83.04975	6.0
85.06523	5.7
88.74274	3.8
88.89574	4.5
91.05466	28.3
93.07030	40.4
95.04951	11.3
95.08591	22.0
103.05450	10.8
103.25109	4.6
105.03391	22.5
105.07041	33.9
107.08588	24.2
109.10150	20.3
117.06979	9.9
119.06836	4.6
119.08561	28.1
121.10099	10.7
128.06213	4.4
131.04836	7.5
131.08562	11.4
133.10095	20.3
135.08073	5.9
135.11690	6.9
143.08485	7.7
145.10107	10.6
147.11647	6.0
149.13185	6.0
149.50922	4.8
159.08032	8.0
159.11726	5.6
163.67638	4.8
183.41483	4.4
215.14302	6.5
231.13736	5.7
272.29523	10.8
273.14563	100.0
273.18207	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	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90326	1.4
51.07741	1.3
52.25524	1.5
52.32610	1.5
53.26358	1.3
53.56973	1.3
55.05510	16.1
57.03413	1.8
57.07067	3.7
59.04977	1.9
63.11048	1.6
67.05489	18.1
69.03417	2.4
69.07051	15.8
71.04977	79.9
73.06525	3.8
77.05088	1.5
78.20680	1.5
79.05480	27.3
81.06596	3.3
81.07043	62.2
83.08595	13.5
87.08150	1.7
87.08679	1.8
91.05471	18.4
93.07024	37.6
95.04992	2.0
95.08594	57.9
97.06506	7.8
97.10164	3.2
99.08071	21.8
105.07018	65.7
107.08575	49.9
109.06506	7.9
109.10145	23.5
117.07008	2.5
119.08575	13.5
121.10125	28.3
123.11683	10.7
125.09617	24.1
127.07523	6.7
127.11166	7.6
127.78910	1.6
131.08514	12.7
133.10110	100.0
135.11633	2.4
143.10645	22.2
145.10104	13.7
147.11694	13.1
149.13243	31.6
151.11166	9.9
159.11670	11.6
161.13245	3.2
163.11224	2.8
167.14288	41.4
169.12184	2.7
201.16399	11.0
219.17395	54.4
237.18480	14.3
271.14691	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05510	18.9
56.05841	2.3
56.96551	3.1
57.03429	20.7
57.07069	2.6
59.04990	18.5
60.48868	1.5
65.03912	2.3
67.05143	2.3
67.05490	44.8
69.07059	20.6
70.07356	2.0
71.04977	7.8
77.96918	1.6
79.05476	34.6
80.05774	1.8
81.07040	75.0
81.07530	2.4
82.07352	3.7
83.04967	2.8
83.08590	7.2
85.06518	7.5
85.97499	1.6
91.05468	59.6
92.05762	2.5
93.07022	67.9
94.07356	3.0
95.04960	14.2
95.08586	49.3
97.06512	3.4
100.07645	2.4
105.07013	100.0
106.07332	4.1
107.08575	45.1
108.08910	1.8
109.06506	3.4
109.09412	1.7
109.10112	14.2
117.06986	7.1
119.08561	64.8
120.08904	2.5
121.10106	19.8
123.08012	2.1
131.08528	7.1
133.10115	27.0
134.10535	2.2
135.11671	10.2
137.09628	2.8
147.11650	3.9
149.13213	3.8
159.11647	2.9
161.13249	19.1
173.13199	2.7
183.49939	1.9
193.82695	1.9
203.82880	1.8
219.24178	1.6
272.22079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07968	1.5
53.03913	1.7
55.05496	19.6
56.96549	2.9
57.07064	7.3
59.04996	3.1
67.05490	23.5
69.03411	3.1
69.07060	22.6
71.04607	3.2
71.04978	63.8
73.06551	2.9
79.05470	25.9
81.07037	67.4
82.07378	1.9
83.04982	7.4
83.08601	17.1
85.06532	27.2
91.05465	32.2
93.07018	65.3
93.07565	3.0
95.04953	3.8
95.08587	65.7
97.06544	4.4
97.10129	3.3
99.04482	1.5
99.08081	17.4
105.07009	74.6
107.04837	1.9
107.08575	67.7
108.08891	1.8
108.60616	2.0
109.06519	4.2
109.10139	34.1
111.08091	2.9
117.06995	10.1
119.08563	46.1
120.08882	3.9
121.10129	40.7
123.08064	3.0
123.11709	7.3
124.86471	1.7
125.09605	16.3
127.07525	4.3
127.11182	4.1
131.08534	27.1
133.10106	100.0
134.10400	2.7
135.11699	12.3
139.11259	2.2
143.08601	2.5
143.10677	9.8
145.10103	35.5
147.11664	26.1
149.13243	42.0
151.11188	8.5
157.10144	2.6
159.11649	44.7
161.13188	15.5
163.11185	3.1
163.14853	11.9
167.14301	33.9
167.83847	1.8
169.12241	2.1
173.13220	11.8
175.14804	3.2
189.16336	37.1
191.14351	7.2
191.18019	2.9
201.16350	34.9
202.35449	1.8
207.17458	17.5
219.13901	2.8
219.17424	46.9
236.17174	3.5
237.14807	11.7
237.18440	48.9
255.15784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05506	1.4
56.96564	1.3
57.07066	100.0
61.35076	0.3
67.05494	1.6
69.07063	2.0
71.04971	18.0
74.72992	0.3
76.00340	0.3
79.05468	0.7
81.07029	2.9
83.08615	0.8
85.06525	88.7
91.05436	2.9
93.07016	22.7
95.04944	0.7
95.08604	0.6
97.06522	2.6
98.32356	0.3
98.97575	0.5
105.06993	1.8
105.61415	0.3
107.08556	5.4
109.06515	0.5
109.10126	1.9
111.08060	9.6
119.08564	2.8
121.10107	1.6
123.11645	0.5
125.23584	0.3
135.11668	1.4
137.09575	0.7
145.10071	1.5
149.13219	9.0
151.11058	0.6
158.48843	0.3
159.11664	0.7
167.14268	16.3
169.12160	2.1
219.17303	1.7
273.14523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
57.07071	1.2
59.04981	1.2
67.05496	13.2
69.07054	20.0
71.04977	49.1
79.05491	5.6
79.93185	0.8
81.07026	1.7
83.08600	7.9
84.08089	1.4
84.46539	0.7
85.06530	100.0
85.84728	0.7
91.05453	5.0
93.07024	24.6
95.08595	9.5
105.07012	4.8
107.08583	31.9
108.09393	1.2
109.06488	1.6
109.10167	5.8
119.08581	1.4
121.10109	16.6
123.11683	1.1
135.11662	2.9
137.09613	1.3
140.51134	0.9
145.10040	1.1
149.12134	1.4
149.13246	23.8
151.11195	3.0
155.10669	1.3
156.74513	0.7
243.03287	0.8
246.12531	0.7
248.61264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16905	0.3
51.63622	0.2
53.03939	0.5
53.25320	0.2
55.05260	0.5
55.05504	7.7
56.96546	0.3
57.07068	2.7
59.04985	2.9
65.03919	0.6
67.05493	9.1
69.03416	0.5
69.07053	9.4
71.04975	32.2
78.72212	0.3
78.76137	0.3
79.05474	5.5
81.07039	6.6
83.08604	15.9
83.09097	0.7
84.08138	0.7
85.06528	100.0
85.95191	0.3
87.04477	0.3
90.87918	0.3
91.05459	8.2
93.07021	38.7
95.04961	3.1
95.08590	3.7
97.06482	0.6
99.04403	0.6
102.09135	0.4
105.07008	8.5
107.08576	30.5
109.06494	3.8
109.10146	3.1
119.06087	0.3
119.08551	4.0
121.10130	7.8
123.08047	0.7
123.11647	3.0
131.08571	0.4
133.10139	1.8
135.11670	14.0
137.09573	2.6
139.07487	0.5
145.10152	1.8
147.11600	1.2
149.13232	5.6
151.11166	6.7
155.10616	0.6
159.11694	1.7
201.16365	0.6
219.17435	0.3
280.36139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.60652	0.4
55.05497	1.2
57.07067	100.0
62.19294	0.5
67.05487	0.6
69.07053	1.2
71.04607	0.9
71.04976	20.9
75.41619	0.5
79.05459	2.0
81.07036	2.8
81.11758	0.5
83.08580	0.7
85.06528	90.5
91.05453	2.9
93.07023	22.8
95.04950	0.8
95.08562	2.3
97.06525	1.1
105.07021	2.2
107.08580	7.3
109.06504	1.2
111.08057	7.9
119.08597	3.8
121.06432	0.5
121.10066	4.1
123.11698	0.8
133.10106	1.0
135.08057	0.6
135.11665	1.0
145.10065	1.1
149.13232	8.4
159.11678	1.0
167.14276	12.4
169.12206	2.3
201.16335	0.6
219.17413	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39502	0.4
53.00296	1.0
53.03928	1.3
55.01861	3.3
55.05506	14.5
56.96559	3.7
56.96805	0.5
57.03426	4.8
57.07067	6.5
59.04980	1.2
61.02916	0.9
65.03944	0.8
67.05141	1.2
67.05499	34.9
67.30519	0.5
69.03404	2.8
69.07058	31.0
70.64127	0.6
71.04611	0.8
71.04983	19.6
71.08618	4.6
73.06535	1.4
79.05053	1.1
79.05479	20.6
80.05811	0.7
81.07042	42.0
82.07366	1.3
83.04960	2.3
83.08612	11.7
85.02908	0.5
85.06535	8.6
87.04440	0.6
89.26896	0.5
91.04893	0.6
91.05460	17.8
92.05786	0.7
93.07029	61.1
94.07335	1.1
95.04967	5.1
95.08595	31.1
97.06517	5.4
97.10168	1.0
98.97596	0.8
99.04434	2.1
99.08080	1.2
103.05463	0.9
105.07018	53.1
106.07325	1.2
107.08583	39.9
108.08945	0.6
109.06511	5.1
109.10148	100.0
110.10458	1.0
111.07306	0.9
111.08074	28.6
113.09570	0.7
115.05433	1.0
117.07024	9.9
119.08569	57.1
120.08885	2.0
121.06522	5.4
121.10131	80.1
121.59067	0.5
123.08031	5.1
123.11700	6.4
125.09624	4.4
127.11176	9.6
128.06238	0.7
129.06996	2.6
130.07794	4.5
131.08551	23.3
133.07614	0.7
133.10109	21.6
134.10448	1.0
135.08044	6.2
135.11670	20.6
136.12057	0.8
137.05960	1.0
137.09599	9.2
139.07532	1.1
139.11139	1.0
143.08551	4.5
144.09352	5.0
145.10114	77.0
146.10507	1.0
147.11676	11.1
149.09602	3.4
149.12289	0.6
149.13261	8.2
151.11153	2.4
153.09103	1.0
155.10712	0.8
157.10107	3.2
159.11676	75.9
160.12079	0.9
161.09624	0.7
161.11909	0.9
161.13242	24.8
163.11162	8.7
163.14748	1.0
165.12781	1.0
173.13249	4.9
175.14757	5.2
177.12752	5.4
177.16357	7.4
179.14305	3.1
191.14259	3.2
191.17911	21.7
195.13834	1.1
201.16364	44.6
209.15384	3.0
219.13824	3.1
219.17427	28.5
236.17282	0.7
237.14732	3.0
237.18472	22.2
255.15775	2.8
273.14746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15339	1.4
54.81869	1.8
55.05500	17.1
57.07073	3.6
59.04983	2.9
67.05491	24.3
69.03400	3.4
69.07065	18.4
71.04978	96.4
73.06520	8.3
79.05476	32.6
81.07039	70.5
81.36696	1.6
83.08612	10.2
85.06525	2.9
91.05461	19.2
93.07015	40.5
95.04948	2.1
95.08583	69.1
97.06508	7.7
97.10142	2.8
98.14046	1.7
99.08079	21.4
104.83997	1.9
105.07018	70.2
107.08578	44.3
109.06486	4.1
109.10149	27.3
114.58770	1.7
117.07053	2.1
119.08553	20.8
121.10133	19.6
123.11678	10.5
125.09606	22.6
127.07528	11.5
127.11167	10.2
131.08507	14.6
133.10107	100.0
135.11702	2.6
143.10664	25.6
145.10107	10.7
147.11667	16.1
149.13220	33.5
151.11171	12.2
159.11647	7.9
167.14296	45.4
169.12253	2.5
201.16362	10.8
219.17400	47.5
237.18547	15.1
263.23795	1.8
270.29205	1.6
272.21982	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	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07010	1.7
53.03920	1.7
55.05507	18.0
55.15354	1.4
57.07045	1.8
59.04982	3.0
67.05492	18.1
67.55189	1.5
69.03400	2.3
69.07051	18.8
71.04972	16.4
76.77773	1.7
79.05489	21.7
79.26820	1.6
79.53331	1.7
81.07037	100.0
83.08607	28.7
85.06527	35.0
87.62287	1.7
91.05466	18.0
93.07029	53.2
95.04948	4.3
95.08592	30.8
97.06514	12.2
105.07016	16.6
107.08583	38.0
109.06512	3.5
109.10148	48.5
111.08014	4.5
112.18923	1.6
117.07013	2.7
119.08559	28.8
121.10123	14.0
123.08031	6.9
123.11676	3.0
125.09613	2.6
131.08580	2.4
133.10104	7.0
135.07961	2.2
135.11656	16.6
135.17285	1.9
137.09618	28.9
138.10352	4.3
145.10098	10.9
147.11652	17.6
149.09650	2.9
149.13100	2.1
151.11171	6.8
155.10640	7.8
159.11632	9.0
161.13222	9.4
163.11157	15.5
168.00407	1.8
175.14796	2.8
177.12694	2.0
201.16377	12.3
219.17424	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	272.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78160	2.2
55.05511	25.1
56.96550	4.5
57.07060	10.6
59.04999	4.0
64.33083	2.5
67.05500	27.9
68.05827	3.1
69.07066	29.8
71.04658	1.9
71.04977	20.9
71.82922	2.5
73.29720	2.4
78.40647	2.2
79.05480	30.6
80.05816	4.2
81.06602	3.4
81.07047	70.4
82.07379	14.3
83.04980	9.7
83.08618	15.1
85.06529	72.9
91.05478	37.3
92.05810	5.1
92.08814	2.9
93.07030	97.0
94.07334	4.8
95.04963	11.7
95.08595	59.6
97.06515	11.1
98.21145	2.2
105.06360	3.9
105.07023	72.1
105.09831	2.3
106.07368	6.0
107.08586	100.0
108.08891	3.3
109.06496	10.1
109.10146	35.8
110.10487	4.0
111.08102	2.8
117.07024	13.4
119.08572	71.0
119.09400	4.2
120.08869	17.9
121.06467	2.6
121.10139	45.4
122.10483	3.0
123.11700	10.2
131.08546	30.9
133.10114	70.5
134.10495	10.6
135.08073	3.1
135.11674	25.7
137.09631	11.0
144.09288	3.2
145.10109	44.5
147.11674	24.7
148.11992	3.6
149.13258	31.3
150.09880	3.2
157.10193	4.4
159.11673	65.2
161.13231	43.3
163.11229	5.8
163.14832	10.6
173.13235	13.4
175.14803	13.1
177.12749	5.6
189.16365	85.0
189.17947	4.4
191.14148	3.9
191.17946	3.1
201.16370	68.0
207.17448	52.7
218.16142	3.2
219.13866	5.2
219.17459	39.2
236.17252	4.7
237.18474	82.9
272.22198	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	272.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01864	3.3
55.05315	1.5
55.05508	24.9
56.96549	1.8
57.03433	2.2
58.21605	1.7
59.04976	4.2
65.03910	3.2
67.05496	54.4
69.03412	2.5
69.07043	7.9
71.04985	19.7
79.05481	52.5
81.07040	100.0
82.07371	2.4
83.04971	13.5
85.02888	8.7
85.06539	13.8
87.04443	4.2
91.05463	54.7
93.07026	62.6
93.74929	2.2
95.04945	30.1
95.08573	31.2
97.06486	13.1
105.04510	4.5
105.07008	29.8
107.08565	19.1
109.06507	34.3
109.10147	18.9
111.04436	3.8
117.06982	8.4
119.08575	21.7
121.06448	2.7
121.10107	2.9
128.06206	7.0
131.08528	9.1
133.10074	11.0
135.08058	2.5
135.11714	2.1
143.08539	3.1
145.10101	8.8
147.11647	2.2
151.07558	4.2
159.11705	4.4
161.09587	11.0
181.46707	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	272.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01863	1.4
55.05499	7.2
56.96548	1.7
57.07058	7.0
57.07295	0.8
59.04988	1.4
67.05495	11.5
69.03410	2.1
69.07056	10.9
71.04966	7.1
71.26407	0.9
79.05469	14.9
81.07036	23.3
82.07367	2.2
83.04955	7.1
83.08595	2.3
85.06523	7.0
91.05447	16.8
92.64352	1.1
93.07021	100.0
94.07381	1.2
95.04932	5.0
95.08585	24.8
97.06502	14.3
99.04453	1.2
105.07008	32.2
107.04951	2.5
107.08575	54.2
109.06499	4.8
109.10143	24.2
111.08068	11.3
117.06980	2.3
119.08559	26.6
121.06476	14.2
121.10110	24.3
123.07999	1.9
123.11652	1.3
125.09615	1.8
127.11163	7.5
131.08528	11.5
133.10098	21.0
135.08031	7.6
135.11662	28.5
137.09653	1.3
139.07518	87.2
143.08522	1.3
144.09334	1.3
145.10085	19.0
147.11659	9.4
149.09599	7.1
149.13232	23.8
153.09065	16.3
157.10078	1.6
159.10355	1.9
159.11653	41.7
161.09496	1.2
161.13219	25.1
163.11188	1.6
163.14786	2.2
173.13235	15.0
175.11180	1.1
175.14842	3.5
177.09006	1.2
177.12700	29.5
177.16324	2.1
191.14297	13.5
195.13773	15.6
201.12613	1.1
201.16331	13.5
209.15312	16.0
219.13808	27.1
219.17273	15.2
229.78218	1.0
236.12433	1.2
237.14801	54.6
237.18382	3.3
255.15907	15.6
272.25690	1.1
273.14456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
52.89779	0.3
53.03941	0.6
54.95630	0.3
55.01870	0.6
56.18637	0.3
57.03426	2.6
57.07056	0.3
57.96953	0.3
59.05004	0.4
61.02921	5.5
61.74422	0.3
65.03915	1.3
67.64297	0.3
69.03079	0.4
69.03420	7.1
71.01332	0.4
71.04974	2.0
73.02895	1.8
75.02692	9.4
76.61852	0.3
81.03397	3.9
81.07026	0.9
85.02892	24.2
85.06524	0.5
91.03922	0.8
92.04970	6.2
92.08673	1.4
93.03723	1.9
93.07024	0.5
95.04915	0.4
96.74193	0.3
97.02865	6.8
98.97577	0.6
99.04416	0.7
106.06531	2.4
107.08607	0.5
109.02858	1.8
109.05245	0.7
110.06026	100.0
111.04419	1.4
116.98615	0.5
120.04490	0.4
122.06008	1.8
127.03893	2.5
133.10118	0.5
134.06018	3.5
145.04938	2.1
146.06030	0.8
152.07080	0.8
163.64738	0.4
177.00807	0.4
223.25568	0.4
234.73370	0.4
245.17430	0.4
245.20387	0.4
272.11319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1127
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03939	0.6
55.01856	0.5
55.05501	0.7
56.96550	1.9
57.03420	2.2
61.02906	2.1
65.03919	1.0
66.74215	0.4
69.03426	5.6
70.06586	0.7
71.04975	1.9
73.02894	0.8
81.03386	1.7
82.06564	0.4
85.02890	9.9
87.04444	0.7
90.14355	0.5
91.97716	0.5
92.04987	17.5
93.05766	0.7
94.06561	2.9
96.08120	1.8
97.02850	4.6
98.97578	1.8
99.04409	0.6
109.02932	0.4
110.06026	100.0
112.99108	0.9
116.98659	0.4
124.00136	0.5
127.03875	2.1
127.39243	0.4
131.00174	1.0
145.04955	0.7
162.14102	0.5
178.04890	0.7
222.95827	0.5
272.11215	8.8
283.50894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05510	22.7
55.58059	1.1
56.05854	1.2
57.03432	1.3
57.07075	2.3
59.05000	2.6
67.05493	20.1
68.05816	4.8
69.03412	7.2
69.07050	9.6
69.98185	1.1
71.04982	23.7
71.35067	1.2
72.05327	1.7
73.06550	9.9
79.05476	22.0
80.05818	2.2
81.03432	2.1
81.07041	42.0
82.07368	1.8
83.04964	26.7
83.08587	2.3
84.05310	1.7
84.05763	2.4
84.08114	3.1
85.06061	2.4
85.06530	28.4
86.06865	9.7
91.05461	38.8
92.05804	6.0
93.07027	36.2
94.07363	8.2
95.04966	17.0
95.08591	13.2
96.05290	2.3
97.06532	2.7
99.04433	5.9
99.08044	1.2
103.05463	2.5
105.07014	37.7
106.07343	2.7
107.04922	2.2
107.08572	25.5
108.08923	5.1
109.06512	7.0
109.10130	13.3
111.08035	1.8
117.06996	16.6
118.07321	1.6
119.08562	100.0
120.08917	2.3
121.06488	2.7
121.10107	10.6
122.10436	1.3
123.07994	2.6
123.11740	1.4
128.06160	1.6
130.07686	1.6
131.08531	8.9
133.10123	34.6
135.11674	4.7
137.09618	5.6
142.07794	1.6
143.08574	2.6
145.10095	10.6
146.10442	2.0
147.11661	9.5
149.09653	2.3
149.13249	1.8
151.11165	2.0
155.10687	6.4
157.10133	5.2
159.11655	1.3
161.09630	2.8
163.11172	5.2
163.14845	3.0
167.10574	2.2
175.11172	1.9
189.16400	2.5
193.15834	2.5
199.14771	2.5
207.17424	1.9
217.15848	5.8
225.07538	1.3
235.16888	12.4
240.48738	1.6
253.17886	2.1
261.79004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05498	3.5
57.07067	1.4
61.85133	0.6
67.05180	0.7
67.05496	9.7
69.07056	10.4
71.70355	0.5
79.05476	4.5
81.06601	1.0
81.07046	20.9
83.08600	2.6
91.05460	2.8
92.09376	0.7
93.07030	14.8
94.54485	0.5
95.08585	10.0
105.07018	6.6
107.08576	18.2
109.10150	31.6
117.07012	1.2
119.08558	9.2
121.10127	10.8
123.11687	31.6
131.08565	4.7
133.10088	6.9
135.11696	5.6
139.61076	0.5
145.10107	8.5
147.11674	6.4
149.13240	23.5
159.11693	6.7
161.13232	6.2
163.14787	20.2
171.11513	0.6
173.13249	2.9
175.14749	4.4
185.13295	1.0
185.54892	0.6
186.08255	0.6
187.14758	7.9
189.16354	4.4
200.15477	0.8
201.16423	5.5
213.16373	2.4
215.17918	10.2
216.18744	0.8
228.18669	2.4
229.19522	0.8
241.16985	1.3
241.19460	34.2
251.42378	0.5
256.21783	10.4
271.24142	100.0
274.26093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
55.05513	9.3
57.07072	6.9
67.05254	0.6
67.05498	10.9
69.07060	27.6
76.61847	1.0
79.05476	6.3
81.07044	23.4
83.04988	1.0
83.08604	4.1
91.05472	24.0
93.07030	10.6
95.04964	1.1
95.08598	12.6
97.10167	1.2
105.07021	40.2
107.08590	12.1
109.10155	26.8
109.93035	0.8
117.07014	8.0
119.08572	15.9
121.10133	11.9
123.11697	32.3
125.13271	4.7
131.08539	8.8
133.10117	100.0
135.11658	5.0
137.13219	1.8
145.10147	9.5
147.11676	30.6
149.13245	4.5
155.98817	0.8
157.10118	2.0
159.11670	6.0
161.13202	1.9
163.14793	3.5
173.13260	4.8
175.14798	7.1
187.14757	9.4
189.16432	1.5
201.16386	4.2
205.06177	0.8
215.17957	3.4
234.16841	0.9
235.49867	0.9
238.28214	0.8
271.24133	35.0
271.27301	1.5
271.28433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01865	2.5
55.05506	28.2
57.03425	2.7
57.07066	7.2
59.04987	9.9
65.03927	2.6
67.05492	39.4
67.44138	1.1
69.03421	15.0
69.07060	28.3
71.04980	22.8
73.06542	3.2
79.05478	41.0
80.05795	1.6
81.07038	100.0
82.07365	1.9
83.04974	18.4
83.08598	2.6
85.06533	10.1
91.05466	53.7
92.05778	1.4
92.08871	2.0
93.07025	52.2
94.07370	2.0
95.04955	24.7
95.08591	29.7
96.08932	1.7
97.06506	16.8
97.10152	1.4
97.30766	1.2
99.04457	9.4
101.06033	1.5
103.05469	1.9
104.06262	1.2
105.04484	1.8
105.07018	57.3
106.07378	5.9
107.04929	1.9
107.08585	47.9
108.08912	2.9
109.06494	19.1
109.10143	35.7
110.06863	2.0
111.08052	3.1
113.06013	2.8
115.05408	2.5
116.06190	1.5
117.07011	11.3
119.07713	3.1
119.08566	94.0
120.08906	5.8
121.06474	2.4
121.10129	24.0
123.08041	8.2
123.11678	6.9
125.09636	6.9
128.06224	2.2
129.06970	7.3
130.07787	1.9
131.08549	16.8
132.08827	2.6
133.10112	37.4
134.10475	5.3
135.08046	5.8
135.11684	8.2
137.09557	10.7
142.07794	7.2
143.08513	10.2
144.09364	1.5
145.10112	19.0
146.10378	1.6
147.08064	2.5
147.11678	13.6
148.12007	2.1
149.09645	8.1
149.13283	1.7
151.11183	9.8
153.09142	1.3
156.09340	1.7
157.10115	10.2
158.10516	2.5
159.11688	10.8
160.12022	2.1
161.09583	5.5
161.13274	2.5
163.11171	13.4
171.11603	2.2
173.13234	2.2
175.11200	5.3
175.14906	2.0
176.11499	8.4
181.12207	10.7
189.16347	2.8
190.12988	2.8
194.12566	1.9
199.14748	5.3
217.15839	8.3
218.12556	3.0
218.16287	5.2
235.16869	14.5
236.13564	6.4
244.39139	1.4
253.17940	4.5
254.14734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
53.03938	2.9
55.01861	4.2
55.05238	2.5
55.05507	56.4
57.03424	3.2
57.07069	2.1
67.05498	25.1
69.03414	13.6
69.07055	21.7
71.04974	16.6
77.54664	1.5
79.05476	48.7
81.06596	3.4
81.07045	70.8
83.04961	14.8
83.08590	2.2
85.06524	2.7
86.99934	1.6
87.04449	1.7
91.05466	75.2
91.06008	3.6
93.07023	73.1
94.07372	2.4
95.04953	34.2
95.08582	41.1
97.06513	11.1
98.97603	1.8
99.04435	2.9
103.05478	3.2
105.07017	100.0
107.04961	3.5
107.08578	64.1
109.06513	26.3
109.10142	14.9
111.08068	6.0
117.07006	25.3
119.08563	91.8
121.06493	7.7
121.10137	25.1
123.08073	9.8
128.06216	6.5
129.07005	9.8
131.08546	27.9
133.10107	58.7
135.08035	6.7
135.11688	8.2
137.09605	7.2
142.07777	11.5
143.08583	15.4
144.09360	2.3
145.10094	21.4
147.08075	2.3
147.11658	14.6
149.09615	12.5
151.11163	13.6
156.09328	3.0
157.10175	11.9
159.11691	12.3
161.09622	12.3
161.13191	2.5
163.11211	12.4
165.06995	4.0
169.10075	2.9
170.10957	1.8
171.11690	1.9
173.13295	1.8
175.11240	3.0
189.12811	1.8
189.16353	8.4
199.14708	6.0
217.15823	8.0
235.16849	8.1
253.17838	3.1
257.54379	1.6
271.09457	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	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
54.38579	1.5
54.81462	2.5
55.01863	11.2
55.05507	27.1
57.03427	4.9
57.07057	1.8
59.04994	16.5
59.10645	1.7
67.05504	23.4
68.02421	2.0
69.03420	16.6
69.07059	13.2
71.04976	12.7
79.05478	47.5
81.03410	3.0
81.07040	84.9
83.04964	15.0
85.06535	8.7
87.77544	2.0
91.05470	52.4
93.07029	87.5
95.04950	75.3
95.08595	31.6
97.06508	23.6
99.04439	4.0
101.06020	3.6
103.05437	2.5
105.07016	65.4
107.04957	9.4
107.08585	73.3
109.06507	21.3
109.10145	13.4
111.08034	4.3
117.06986	29.5
119.08572	100.0
121.06484	11.7
121.10134	21.5
123.08047	3.5
125.09640	10.8
128.06198	4.6
129.07005	3.4
130.07773	4.7
131.08585	17.6
133.10112	38.5
134.81006	2.0
135.08031	11.4
135.11688	18.5
137.09602	8.9
142.07784	4.9
143.08617	5.8
145.10127	30.2
147.11690	3.9
151.11221	9.7
153.09123	4.4
157.10104	7.7
159.11676	16.1
163.11145	31.3
174.85283	2.1
181.12224	9.4
184.13780	1.9
189.16374	2.8
190.28505	2.0
195.13878	3.1
217.15872	10.7
219.77800	1.8
221.65935	2.0
235.16919	13.4
253.17792	3.3
289.47000	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
50.14796	1.2
53.00280	1.5
53.03936	2.6
55.01861	5.8
55.05509	26.3
55.26908	1.1
57.03434	3.0
57.07071	3.2
58.68289	1.2
59.05001	11.9
63.08638	1.1
65.03934	1.1
67.05499	29.1
68.05801	2.0
69.03419	37.8
69.07056	20.1
69.86153	1.2
71.04975	28.3
71.05337	2.1
72.05285	1.4
73.06546	2.7
79.05479	32.1
81.03403	1.4
81.07043	100.0
82.07377	1.5
83.04973	13.7
84.08118	1.3
85.06531	21.3
86.06822	1.6
87.04471	3.1
91.05473	33.4
93.07031	50.3
94.07365	2.9
95.04959	23.9
95.08589	25.5
96.08936	1.8
97.06513	27.0
97.10143	1.3
99.04439	24.1
99.08076	1.5
101.06002	2.4
105.04485	1.5
105.07015	48.5
106.07342	1.6
107.04943	2.1
107.08590	46.1
108.08921	1.4
109.06512	24.3
109.10146	19.1
111.08080	2.6
113.09668	1.6
115.05421	1.5
115.07612	1.9
117.06998	11.5
119.08568	63.9
120.08852	1.4
121.06496	2.0
121.10121	18.7
123.08021	9.9
123.11687	7.4
124.27080	1.3
125.09615	11.5
128.06200	1.8
129.07010	2.1
130.07843	1.2
131.08543	13.0
133.10115	30.4
135.08044	3.2
135.11639	11.5
137.09645	11.1
138.05807	1.2
141.09129	2.2
142.07799	8.4
143.08543	6.1
145.10088	10.6
147.11681	9.6
149.09618	2.3
149.13240	1.7
151.11172	25.5
153.09077	3.1
155.10643	1.4
157.10086	10.6
159.11671	11.4
161.09566	3.1
161.13255	1.3
163.11209	2.8
167.10634	2.0
175.11125	2.3
175.14783	1.5
179.10632	2.6
181.12212	5.2
189.16385	5.6
191.14148	1.4
195.13808	2.5
199.14850	6.1
217.15909	5.4
219.17520	1.5
235.16951	8.4
253.18231	4.2
263.75436	1.3
265.57602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14796	1.2
53.00280	1.5
53.03936	2.6
55.01861	5.8
55.05509	26.3
55.26908	1.1
57.03434	3.0
57.07071	3.2
58.68289	1.2
59.05001	11.9
63.08638	1.1
65.03934	1.1
67.05499	29.1
68.05801	2.0
69.03419	37.8
69.07056	20.1
69.86153	1.2
71.04975	28.3
71.05337	2.1
72.05285	1.4
73.06546	2.7
79.05479	32.1
81.03403	1.4
81.07043	100.0
82.07377	1.5
83.04973	13.7
84.08118	1.3
85.06531	21.3
86.06822	1.6
87.04471	3.1
91.05473	33.4
93.07031	50.3
94.07365	2.9
95.04959	23.9
95.08589	25.5
96.08936	1.8
97.06513	27.0
97.10143	1.3
99.04439	24.1
99.08076	1.5
101.06002	2.4
105.04485	1.5
105.07015	48.5
106.07342	1.6
107.04943	2.1
107.08590	46.1
108.08921	1.4
109.06512	24.3
109.10146	19.1
111.08080	2.6
113.09668	1.6
115.05421	1.5
115.07612	1.9
117.06998	11.5
119.08568	63.9
120.08852	1.4
121.06496	2.0
121.10121	18.7
123.08021	9.9
123.11687	7.4
124.27080	1.3
125.09615	11.5
128.06200	1.8
129.07010	2.1
130.07843	1.2
131.08543	13.0
133.10115	30.4
135.08044	3.2
135.11639	11.5
137.09645	11.1
138.05807	1.2
141.09129	2.2
142.07799	8.4
143.08543	6.1
145.10088	10.6
147.11681	9.6
149.09618	2.3
149.13240	1.7
151.11172	25.5
153.09077	3.1
155.10643	1.4
157.10086	10.6
159.11671	11.4
161.09566	3.1
161.13255	1.3
163.11209	2.8
167.10634	2.0
175.11125	2.3
175.14783	1.5
179.10632	2.6
181.12212	5.2
189.16385	5.6
191.14148	1.4
195.13808	2.5
199.14850	6.1
217.15909	5.4
219.17520	1.5
235.16951	8.4
253.18231	4.2
263.75436	1.3
265.57602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20661	0.7
51.74092	0.7
53.03931	1.2
55.01884	0.8
55.05504	15.5
57.07065	2.0
59.04992	2.0
67.05495	10.6
68.05837	1.9
69.03414	4.3
69.07047	8.2
71.04981	12.8
73.06539	5.6
74.90254	0.7
79.04779	0.8
79.05476	13.5
80.05824	1.5
81.07041	38.9
82.07389	1.4
83.04965	21.1
83.08602	3.7
83.13638	0.8
85.06526	9.2
86.06861	3.4
91.05459	27.6
92.05807	2.2
93.07020	19.5
94.07360	2.0
95.04955	9.3
95.08586	8.7
96.05242	1.1
97.06503	1.9
99.04375	0.8
103.05492	1.5
103.66634	0.9
105.07012	28.7
106.07354	1.2
107.08568	14.2
108.08873	1.4
109.06517	4.3
109.10164	9.1
111.08079	1.4
115.05446	1.8
117.06995	10.7
119.08561	100.0
120.08898	4.4
121.06516	2.1
121.10116	7.2
123.08069	1.3
125.09607	1.3
128.06133	1.1
129.06993	1.4
130.07788	1.3
131.08562	5.8
132.15610	0.9
133.10110	30.7
135.11656	1.8
137.09578	2.0
142.07732	1.3
143.08548	1.4
145.10072	10.1
146.10544	1.1
147.11673	5.7
151.11176	1.2
155.10651	5.5
157.10129	4.7
159.11655	3.7
163.11162	4.9
167.10675	3.8
171.11922	1.0
173.13219	1.0
175.11235	1.2
189.16293	2.1
199.14835	2.1
204.78287	1.0
217.15930	5.4
235.16876	17.2
253.17918	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	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69530	0.9
53.03946	1.7
53.68030	1.0
55.01861	2.2
55.05507	13.4
57.03416	1.4
59.04979	2.1
67.05495	13.8
68.00744	1.1
69.03410	9.0
69.07058	8.6
71.04972	10.4
73.06504	1.1
79.05470	31.4
81.03392	6.7
81.06599	2.0
81.07038	36.9
81.74368	1.1
83.04971	6.9
85.06531	2.0
91.05460	43.2
93.07022	72.9
95.04949	72.6
95.08597	9.7
97.06477	2.9
99.04433	2.0
103.05446	2.8
105.07016	46.3
107.04944	10.3
107.08582	59.6
109.06516	13.1
109.10138	6.9
111.08098	1.7
115.05428	1.8
117.06990	24.7
119.08561	100.0
121.06447	8.9
121.10104	20.6
123.08066	4.7
129.06908	2.2
130.07729	9.8
131.08495	1.4
133.10101	17.2
135.08023	9.4
135.11668	17.5
137.09586	7.8
141.68924	1.1
142.07687	1.3
143.08591	1.8
145.10104	31.7
147.11652	2.7
149.09618	2.4
150.89116	1.2
151.11209	1.4
153.64613	1.2
157.10104	1.7
159.11688	1.5
163.11163	29.8
167.10677	1.4
171.11699	1.3
175.11180	1.3
181.12219	8.7
217.15857	4.5
235.16933	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18340	1.6
52.19414	1.6
54.81464	2.1
55.05497	11.0
57.03414	2.7
57.07056	2.7
67.05498	17.4
69.07051	11.2
71.04976	3.2
79.05462	10.3
79.62142	1.8
81.07040	37.0
83.04980	4.3
83.08609	1.8
85.06538	2.6
85.54329	2.0
90.74622	1.8
91.05466	28.1
93.07027	30.1
95.04947	4.5
95.08585	27.0
97.06529	3.4
105.07009	54.6
107.04874	2.9
107.08584	32.2
109.06522	2.4
109.10139	12.9
117.06979	12.3
119.08564	39.5
121.10111	14.9
123.08077	2.1
123.11690	4.4
128.06235	3.5
129.07007	16.3
131.08553	44.7
133.10120	48.4
135.08087	2.2
135.11658	3.1
137.09567	2.3
142.07761	23.4
143.08527	29.4
144.09352	3.2
145.10118	29.7
147.11665	27.7
149.09583	3.5
149.13232	4.1
151.11148	3.0
152.65045	1.7
156.09274	4.6
157.10098	71.6
159.11664	20.1
161.09566	14.8
161.13232	14.2
163.11130	1.9
163.14824	4.0
171.11702	18.1
171.12976	2.3
173.13223	2.1
175.11154	11.3
175.14815	4.6
177.12650	6.7
179.10594	3.0
183.28694	2.3
184.12381	3.2
187.14734	14.6
189.12721	4.5
189.16347	38.0
199.14796	45.0
205.15889	3.1
217.15845	90.6
235.16898	100.0
253.17970	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11259	1.8
52.05179	1.9
53.03934	4.7
53.63015	2.1
54.81503	2.6
55.01865	3.4
55.05504	37.1
59.04975	3.2
61.73916	1.8
62.40907	2.1
67.05495	34.4
67.80962	2.3
69.03419	17.1
69.07059	20.0
71.04968	15.3
73.00008	2.4
73.06524	2.8
79.05477	39.5
81.07038	87.5
81.07528	3.0
83.04971	16.9
83.08577	3.2
85.06523	4.2
91.05463	66.2
92.09329	2.3
92.71525	2.4
93.07026	72.1
95.04952	59.0
95.08581	40.6
97.06507	16.7
99.04429	5.5
103.05418	3.0
105.07021	97.1
107.08581	53.5
107.52111	2.1
109.06521	17.1
109.10164	18.8
111.07995	4.0
113.06026	2.7
115.05441	2.6
117.07003	21.4
119.08562	100.0
121.06492	3.0
121.10130	17.4
123.08067	12.0
127.11203	3.2
128.06239	3.6
129.07027	10.4
131.08560	21.7
133.10114	58.8
135.08073	3.7
135.11673	10.8
137.09619	4.7
142.07765	11.8
143.08545	15.0
143.46239	2.2
145.10103	24.0
147.11697	16.8
149.09642	3.6
151.11159	3.3
156.09286	2.6
157.10118	11.0
159.11656	13.9
161.09587	5.3
161.13257	3.7
163.11118	11.7
165.06961	10.1
171.11661	4.7
173.13243	3.9
175.11163	4.3
177.94373	2.6
185.11798	2.6
188.09357	2.3
189.12776	5.6
189.16415	9.5
199.14810	3.4
217.15817	4.5
224.16016	2.5
235.13142	4.3
235.16769	4.7
268.71774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.85817	1.1
55.01843	2.4
55.05319	0.9
55.05508	14.8
57.03424	1.7
59.04980	2.1
67.05492	12.5
69.03422	11.2
69.07061	11.5
71.04985	9.9
72.35403	1.1
73.06518	2.1
79.05472	28.7
81.03388	2.8
81.07037	34.0
81.62181	1.1
83.04954	7.1
91.05460	40.8
93.07024	70.1
95.04947	76.1
95.08588	12.8
97.06526	2.4
99.04443	1.7
103.05428	6.0
105.07011	45.9
107.04941	9.2
107.08579	55.0
109.06512	12.1
109.10134	6.9
117.07000	24.4
119.08564	100.0
121.06464	10.7
121.10133	21.0
123.08048	2.7
123.11658	1.3
125.09631	1.4
128.06252	1.8
129.06973	1.8
130.07764	8.6
131.08554	7.5
133.10121	19.9
135.08051	7.9
135.11674	15.0
137.09593	10.6
142.07762	2.7
143.08528	6.1
145.10100	31.7
147.11679	5.4
149.09589	2.6
151.07404	1.2
151.11157	1.8
153.09105	1.3
157.10107	6.8
159.11624	2.6
161.09581	1.4
161.13240	2.2
162.10292	1.4
163.11150	30.4
173.13211	1.4
175.14767	1.6
181.12204	11.2
184.14297	1.5
189.16287	2.5
199.14803	2.4
217.15781	8.2
221.34068	1.3
230.04153	1.4
234.80197	1.3
235.16875	10.7
252.29933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.76360	1.1
54.81914	1.2
55.01855	3.5
55.05285	1.3
55.05506	17.4
56.31944	1.2
57.03425	2.6
59.04992	16.1
60.31916	1.3
61.28201	1.1
64.92308	1.4
67.05492	25.9
68.62637	1.4
69.03403	12.4
69.07060	13.6
71.01363	1.1
71.04986	10.0
73.06558	2.5
73.43449	1.4
73.65312	1.2
79.05476	36.0
81.03394	7.4
81.07039	58.6
83.04970	14.3
85.06530	6.5
89.37648	1.3
90.82251	1.6
91.05462	47.0
93.07024	80.7
95.04949	79.4
95.05476	1.7
95.08585	18.7
97.06513	8.4
97.10068	1.5
99.04442	2.8
101.05939	1.6
103.05462	1.7
105.07018	59.6
107.04942	10.2
107.08582	65.0
109.06499	15.9
109.10141	15.1
111.08074	6.0
115.05425	2.8
117.06999	24.8
119.08562	100.0
121.06515	7.5
121.10113	26.5
123.08069	5.3
123.11655	1.9
125.09586	3.4
128.06239	1.7
129.06958	3.3
129.88779	1.5
130.07773	11.5
131.08562	10.8
133.10110	25.0
135.08058	12.5
135.11659	22.9
137.09595	10.9
142.07777	3.5
143.08540	8.0
145.10110	34.7
147.11664	7.7
148.01457	1.6
149.09531	1.6
149.13283	1.6
151.11169	2.4
153.09108	2.7
157.10069	5.5
159.11679	9.0
161.09566	2.0
163.11148	35.4
164.22542	1.3
165.07025	2.3
171.10170	2.5
175.11086	2.1
175.14743	1.5
177.12787	3.4
181.12125	10.0
189.16368	2.5
199.14838	2.7
209.80644	1.5
217.15817	6.6
235.16962	6.5
253.17827	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	271.0597
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.25211	0.2
53.03930	0.2
55.01867	0.3
55.05503	2.0
55.09808	0.2
57.03408	0.3
59.04978	1.5
65.03928	0.4
67.01855	2.3
67.05495	3.5
68.99773	1.6
69.03401	1.4
69.07057	2.1
71.04977	1.7
73.02907	0.4
79.05476	1.8
80.33430	0.2
81.07034	4.0
83.04961	1.8
83.08583	0.6
85.06504	0.4
86.51157	0.2
87.13108	0.2
89.67841	0.2
91.05463	4.9
93.07017	3.8
94.07346	0.2
95.04945	14.7
95.08585	1.4
96.31407	0.2
97.06498	2.1
98.66294	0.2
98.97529	0.3
101.05970	0.4
105.07024	3.0
107.04926	0.5
107.08586	3.0
109.06479	1.2
109.10139	1.6
111.08096	0.5
113.05977	0.4
115.07536	0.3
116.98611	0.3
117.07006	0.3
119.04919	8.2
119.05836	0.3
119.08568	2.9
121.02831	2.3
121.06412	0.5
121.10118	2.0
123.08038	0.9
124.05172	0.4
125.06007	0.3
125.09590	0.5
127.11121	0.3
129.01787	0.4
129.06979	0.3
130.42819	0.2
131.08553	1.2
133.10088	2.1
135.07977	0.3
137.05891	0.4
137.09625	0.4
139.11145	0.9
143.08540	0.4
145.02821	2.2
145.10066	0.5
147.08069	0.3
147.11644	1.2
149.02271	0.2
149.09604	1.1
151.11108	0.3
153.00557	0.5
153.01805	15.0
153.06955	1.0
153.09016	0.3
157.10098	0.5
163.03883	1.6
163.11183	0.4
165.06972	1.1
167.10632	3.6
171.02847	2.1
175.11188	0.3
175.14412	0.2
185.11687	0.3
197.05893	0.3
208.70160	0.2
209.60204	0.2
211.07521	0.3
215.06934	0.4
217.12230	0.5
217.15834	0.4
225.05397	1.3
229.04855	0.4
235.13466	0.3
235.16827	0.3
241.64180	0.2
243.06514	1.4
253.05000	0.4
253.14001	0.3
253.17899	0.5
271.05948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79968	1.0
52.20378	1.0
53.00285	1.2
53.03939	2.6
55.01872	2.1
55.05504	18.2
57.07061	2.7
59.04995	12.9
63.87053	1.1
65.03903	1.4
67.05489	26.5
67.93462	1.1
69.03413	10.3
69.07051	20.4
69.92018	1.1
71.04980	21.2
71.47319	1.2
73.06531	2.4
79.05476	23.9
81.07039	68.0
83.04965	16.9
83.08593	2.9
85.06525	9.2
85.24998	1.3
91.05463	30.3
93.07021	40.6
95.04951	19.8
95.08583	17.5
97.06512	12.4
99.04430	19.5
100.04746	2.3
101.05997	2.6
103.05417	1.2
105.07014	38.6
106.07344	1.8
106.68676	1.3
107.08576	36.5
109.06503	14.5
109.10140	31.9
111.08082	5.8
113.05995	2.1
117.06990	12.0
118.13863	1.2
119.08562	100.0
120.08898	2.6
121.06504	2.8
121.10116	20.0
123.08047	5.4
123.11681	2.0
125.05923	1.5
125.09590	2.1
128.06221	1.6
129.07014	1.7
130.07755	2.6
131.08566	10.7
132.08884	1.6
133.10106	26.2
135.08051	1.9
135.11638	13.0
135.59297	1.2
137.09595	11.1
138.66771	1.2
142.07773	2.5
143.08485	1.9
145.10104	21.4
147.11682	9.6
148.12061	1.5
149.09593	1.7
149.13190	1.9
151.11182	5.0
155.10638	1.8
157.10083	3.0
159.11678	7.7
160.12022	1.5
161.09572	1.6
163.11157	13.1
165.12814	1.8
167.10640	1.7
175.11092	1.8
176.11469	1.5
177.12881	1.6
179.10693	2.1
181.12196	14.5
199.14735	2.3
205.15868	1.3
217.15791	5.6
218.12703	2.2
218.16106	1.6
235.16930	16.4
253.18025	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	270.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	45.4
57.07067	6.4
59.04998	5.2
67.05491	34.0
69.07061	100.0
71.04984	17.6
79.05468	21.8
81.06593	5.5
81.07047	68.2
83.08617	19.0
85.02904	5.5
87.04428	4.0
91.05477	20.7
93.07027	43.0
95.04961	7.2
95.08569	29.3
97.06516	6.9
105.07023	27.2
107.08567	34.5
109.06500	7.2
109.10161	15.1
111.08061	4.3
117.06988	4.1
117.37578	3.8
119.08564	16.0
121.06486	3.3
121.10129	19.1
123.07957	3.9
123.11740	3.5
131.08548	5.6
133.10086	11.5
135.11708	3.5
137.09598	4.1
137.13197	3.0
137.89169	2.8
141.94748	2.7
145.10172	4.9
167.39009	2.8
270.20734	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	270.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53521	3.3
53.03936	4.3
55.05505	10.3
58.22566	3.5
67.05491	21.2
69.07079	15.0
71.04980	27.5
71.05408	3.3
72.47459	4.0
77.23840	4.0
77.29237	3.5
79.05482	22.6
81.07058	49.8
83.04964	8.1
84.87280	3.9
85.06528	27.4
85.07000	5.3
90.39801	4.5
91.05463	34.1
93.07018	55.3
95.04919	5.4
95.08595	45.4
97.06525	5.8
98.97600	4.9
99.04427	9.5
105.07045	45.9
105.07631	4.3
107.08575	49.6
109.06504	24.6
109.10158	18.1
111.08051	7.3
114.37047	4.9
117.07012	6.7
119.08576	58.1
121.10143	27.2
123.08051	43.5
127.07532	17.9
128.06221	4.0
131.08563	34.5
133.10141	18.6
137.09566	7.5
143.08571	10.0
144.74535	4.7
145.10161	10.7
147.08047	4.4
147.11737	16.3
149.09560	5.3
150.10007	4.3
157.10110	55.8
159.11678	76.0
173.13237	7.8
175.11169	19.1
175.14806	23.2
177.12721	7.4
199.14798	100.0
217.15836	65.2
235.13211	4.9
235.16933	70.8
238.61739	4.8
239.57416	4.3
246.73329	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	270.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71069	0.6
55.01858	4.0
55.05504	9.7
57.03419	1.3
59.04976	1.3
59.75784	0.7
67.05500	15.1
68.05810	0.9
69.03419	5.9
69.07056	13.5
71.04979	7.2
74.54347	0.7
77.03923	0.8
79.05477	18.2
80.05826	1.4
81.03398	1.8
81.07047	19.4
83.04971	6.1
83.08595	5.3
85.06534	1.8
91.05470	24.5
92.05785	1.7
93.07027	21.3
95.04938	4.9
95.08586	21.2
97.06514	4.8
105.07027	27.7
106.07336	3.4
107.04969	2.0
107.08579	25.0
108.08902	1.1
109.06517	11.0
109.10137	11.7
111.08080	1.4
115.05450	1.9
117.07008	15.2
119.08570	34.6
120.08916	1.8
121.06499	1.7
121.10137	9.1
123.08041	5.2
123.11696	1.7
125.09602	1.2
128.06204	4.7
129.07001	20.2
130.07765	1.4
131.08551	23.7
132.08846	0.8
133.06485	1.9
133.10118	27.2
134.10419	1.8
135.08044	5.4
135.11668	3.9
136.08379	1.8
137.09625	4.1
142.07777	5.0
143.08560	16.9
144.09296	1.1
144.57394	0.9
145.10115	10.6
147.08009	1.8
147.11681	11.1
149.09622	1.5
149.13239	1.3
151.07564	0.9
156.09358	0.9
157.10112	36.6
158.10826	1.4
159.11667	15.8
161.09613	8.9
161.13217	2.0
165.12689	3.9
169.10199	1.0
171.11635	8.6
173.13232	25.2
175.11163	4.1
175.14783	6.8
179.10620	1.9
180.10971	1.6
189.12721	1.2
189.16339	2.0
189.60487	0.9
191.14299	3.5
199.14803	20.6
217.15909	13.2
234.15733	0.9
235.16896	100.0
252.16916	1.8
252.19574	4.3
270.20334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.8
53.03928	4.2
55.01862	1.1
55.05507	27.5
57.07055	1.5
65.03918	2.3
67.05489	40.7
69.03403	3.4
69.07047	12.1
71.04975	48.3
73.06543	2.2
79.05472	18.6
81.07040	30.5
82.00488	0.9
83.04961	11.7
83.08607	4.5
84.05732	13.4
85.06525	100.0
91.05457	28.3
91.92590	0.8
93.07021	39.3
93.12684	0.8
95.04947	11.3
95.08582	16.5
97.06515	2.1
99.08057	4.8
101.05997	4.9
105.04424	0.9
105.07015	14.7
107.08586	16.4
109.06490	6.3
109.10145	11.1
111.08077	1.2
117.06979	1.9
119.08561	10.4
121.10113	5.7
123.08054	1.3
129.07033	1.0
131.08556	4.9
133.10132	5.1
135.08142	1.0
135.11769	1.3
137.09575	2.2
145.10103	2.3
147.11638	2.1
149.13358	1.1
161.13274	1.3
173.22415	1.0
175.14735	2.6
189.16280	4.1
191.14349	1.0
192.40396	0.8
204.48634	0.9
226.13940	1.1
235.16818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
54.87801	2.5
55.01868	4.2
55.05506	40.3
57.03424	2.6
57.07054	10.4
57.31602	2.8
59.04995	4.4
64.73711	2.8
67.05499	59.9
69.03410	11.6
69.07059	59.4
71.04980	55.5
73.80133	2.6
79.05479	41.5
81.07044	85.8
83.04964	13.0
83.08591	6.6
85.06538	5.9
91.05469	53.5
93.07025	77.6
95.04963	24.8
95.08584	67.6
95.30272	2.5
95.33357	2.4
97.06503	11.4
99.04448	20.6
100.92089	2.5
103.05447	3.8
105.05450	2.7
105.07021	100.0
106.07364	2.8
107.08590	81.8
109.06495	18.6
109.10147	39.2
111.08082	6.8
113.05997	2.8
117.06990	14.3
117.99756	3.0
119.08577	59.1
121.06504	13.0
121.10114	37.8
123.08054	15.2
123.11702	15.4
125.09609	4.2
126.16462	2.7
128.06229	2.9
131.08568	20.3
133.10133	40.3
135.08089	5.0
135.11761	4.0
137.09630	10.4
137.13245	10.6
140.07173	3.3
142.07747	9.8
143.08603	4.7
144.09355	3.6
145.10117	14.9
147.11624	30.0
149.09566	5.5
149.13257	23.3
151.11195	5.4
157.10109	6.0
159.11690	23.1
161.05299	2.8
161.09610	4.9
161.13206	3.5
163.11131	3.6
165.12756	3.6
170.45930	2.8
173.07265	2.7
173.13179	3.4
175.11179	10.3
175.14870	11.8
179.10683	3.8
183.13783	17.7
189.16367	3.7
201.16376	5.0
201.66708	2.9
219.17245	5.3
242.35896	3.8
271.08261	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
53.13464	1.1
55.01855	8.7
55.05502	20.9
56.96548	1.7
57.03423	16.6
59.04977	5.8
61.02914	18.6
61.04321	1.3
62.99062	2.2
67.05487	3.0
69.03083	1.2
69.03420	27.4
70.06570	6.4
71.04977	38.2
72.05303	9.1
73.02901	73.4
73.06535	35.5
75.04450	12.3
78.15699	1.2
81.03409	8.5
83.04931	1.5
85.02888	100.0
87.04454	2.8
89.06023	21.2
90.06338	7.4
91.03938	33.3
91.05481	2.1
91.07578	10.1
95.04932	2.2
97.02862	29.4
98.97586	3.2
99.04427	8.5
103.03917	1.7
107.07036	8.2
108.07382	2.5
109.03163	9.4
110.07140	9.5
111.07451	1.9
116.98598	1.9
119.01860	1.6
122.06042	2.0
122.07137	1.8
123.04414	2.7
123.06792	1.7
127.03864	16.3
131.00125	1.8
134.06000	1.9
136.06154	5.9
136.07535	2.7
138.05458	16.8
141.06563	1.9
145.04973	20.8
152.07056	6.6
157.04913	2.6
161.01196	2.0
162.05516	2.0
163.05989	5.8
164.07008	2.1
180.08611	1.8
206.08095	2.0
210.11235	7.4
211.10722	5.5
224.12717	2.5
234.07576	1.6
252.08612	6.7
252.19518	6.5
270.09808	5.3
270.13159	9.1
270.15900	1.7
270.20642	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	270.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
53.70880	2.2
55.05512	21.7
57.07056	2.5
59.04990	4.1
65.03922	2.3
67.05494	22.4
69.03403	3.5
69.07057	54.1
71.04980	85.6
75.04462	2.5
79.05478	46.7
81.07043	50.3
83.04971	8.8
83.08605	12.7
83.18753	2.2
85.06522	2.6
91.05460	46.8
91.05930	2.9
93.07027	71.0
95.04946	11.2
95.08591	25.3
97.06496	8.5
99.04404	4.2
101.66061	2.0
105.07021	51.0
107.08585	100.0
109.06514	14.6
109.10146	9.2
117.07024	3.7
119.06039	3.9
119.08559	24.0
121.10113	41.0
122.54212	2.1
123.08058	3.9
123.11681	11.7
125.09627	9.7
127.07533	2.9
128.06349	2.6
129.06987	5.3
131.08546	13.3
133.10129	13.1
137.09618	2.9
143.08571	4.6
144.09325	2.5
145.10107	8.6
147.11705	2.8
149.13240	41.8
157.10080	5.4
159.11678	18.3
173.13264	2.3
175.14749	3.2
183.03450	2.6
199.14767	4.8
201.04355	3.7
211.66953	2.6
217.15878	4.3
235.16934	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	270.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01651	1.2
53.03934	7.2
55.05507	30.5
59.04990	1.9
64.30651	1.4
64.33258	1.8
65.03922	2.4
67.05492	40.4
69.03388	2.6
69.07052	18.7
71.03365	1.4
71.04979	53.2
73.06544	2.5
79.05461	19.1
81.07047	38.4
83.04970	12.5
84.05746	11.2
85.06532	100.0
91.05463	28.0
93.07029	48.2
95.04958	14.0
95.08587	20.5
97.06573	3.3
101.05988	1.8
105.04482	2.2
105.07015	25.7
107.08578	27.9
109.06519	6.6
109.10172	11.7
110.57408	1.5
117.07027	3.2
119.08569	16.5
121.10148	9.2
131.08527	8.6
133.10114	12.5
135.08034	1.9
135.11670	3.6
137.09648	2.3
145.10170	6.6
146.10983	2.4
147.11674	6.7
149.09531	1.8
149.13254	2.3
157.10110	2.4
159.11778	2.4
161.13292	3.8
175.14830	6.5
189.16327	10.8
191.14259	3.3
193.15877	1.8
199.14720	1.7
202.42432	1.6
217.15727	2.1
235.16919	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	269.1746
Annotation	Pulicanone
Peak:m/z	Relative Intensity
53.03936	14.8
55.01865	14.8
55.05507	38.0
56.85470	2.2
59.04984	3.8
67.05489	34.5
69.03416	15.4
69.07056	11.5
71.04982	14.0
72.35076	2.2
77.03889	3.5
79.05470	32.6
81.07038	50.7
83.04971	19.0
83.08618	4.2
85.06510	3.1
91.05466	100.0
93.07024	70.8
95.04948	49.3
95.08582	24.0
97.06531	10.3
99.04441	4.5
105.04489	10.5
105.07015	42.9
107.08585	48.0
109.06505	16.3
109.10143	9.0
111.08080	3.8
115.05454	2.5
117.07013	15.6
119.08582	26.9
121.06511	4.8
121.10136	11.2
123.08018	9.8
125.08756	2.4
125.09628	16.0
129.07011	5.1
131.08554	27.6
133.06445	3.1
133.10117	22.0
135.08037	5.6
135.11722	3.3
137.09578	3.9
143.08533	4.2
145.10124	16.2
147.08057	3.4
147.11687	10.7
149.09636	4.2
155.08519	5.9
155.43188	2.4
157.10162	3.1
159.08040	4.2
159.11652	9.3
161.09608	6.0
173.09587	13.7
173.13246	12.2
175.11220	3.7
179.10606	2.8
187.14857	2.9
189.85522	2.3
191.14279	3.0
197.13330	3.5
205.15884	4.6
215.14322	5.2
233.15315	23.3
238.68285	2.7
251.16283	18.6
257.95618	2.4
285.81042	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	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.63059	1.4
53.03943	1.6
53.50617	1.5
55.01859	1.6
55.05506	19.8
56.56198	1.6
57.07071	15.9
59.04991	1.9
67.05489	14.1
69.03435	3.3
69.07059	27.8
71.01314	1.9
71.04970	11.9
71.08608	2.1
79.05476	19.4
81.07047	49.1
83.04963	2.8
83.08592	10.7
85.06529	7.9
85.10180	2.4
91.05458	22.4
93.07032	44.8
95.04938	9.7
95.08584	19.4
97.06500	3.8
97.10168	3.5
99.04410	4.2
99.08063	2.3
99.95690	1.7
105.07020	30.5
107.04891	1.8
107.08577	27.0
109.06496	8.7
109.10159	21.9
111.08054	1.9
117.06997	10.8
119.08570	28.8
121.06506	3.1
121.10094	15.5
123.08050	4.0
123.11674	29.6
128.06198	6.8
129.06978	35.9
131.08548	71.4
133.10088	20.1
135.08023	10.4
135.11667	9.7
139.07471	2.8
141.06929	2.6
142.07753	18.2
143.08554	57.2
145.10120	62.3
147.11607	15.4
149.09607	2.9
149.13239	9.4
155.08549	8.0
156.09317	8.3
157.10109	70.1
158.10913	2.3
159.11681	11.7
161.09613	2.9
161.13220	4.0
163.07541	2.9
163.11125	2.7
163.14813	3.2
165.08925	2.0
169.10077	7.9
170.10869	3.3
171.11667	28.1
173.13240	37.6
175.11131	2.1
179.10527	2.0
183.11638	2.1
184.12502	4.4
185.13255	15.9
187.14748	19.4
191.14401	2.5
193.12140	2.2
199.14790	100.0
211.14777	7.5
213.16362	45.0
215.14268	2.4
225.16350	2.1
227.17979	22.7
233.15337	8.9
234.16252	2.4
239.18045	2.7
239.63550	2.5
241.19580	3.8
251.16245	1.9
254.20230	1.9
269.17764	3.1
269.22565	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.51127	3.3
54.63850	3.3
55.01867	7.2
55.05508	30.2
55.21378	3.4
56.34114	4.3
57.07058	5.0
59.04973	3.7
67.05495	20.6
67.58871	3.8
69.03410	5.7
69.07059	18.9
71.04978	49.8
72.04543	4.5
77.00612	4.1
79.05480	40.3
81.07053	44.5
83.04971	10.8
83.08592	5.0
85.06561	4.6
91.02754	5.0
91.05470	100.0
93.07027	55.3
95.04947	9.1
95.08617	34.2
97.06519	8.2
99.04443	10.7
103.91335	3.9
105.07019	66.1
107.04994	6.6
107.08573	56.9
109.06523	16.8
109.10155	9.2
111.08071	20.0
117.07003	19.5
119.04922	72.5
119.08575	58.2
121.06485	29.4
121.10146	10.3
123.08048	8.4
131.08592	52.1
133.10132	44.6
135.08032	28.4
135.11644	9.9
136.08821	9.0
137.09598	7.8
142.07764	5.7
143.08589	9.4
145.10123	53.0
147.08008	7.5
147.11664	42.4
149.09615	33.0
151.11153	15.7
155.41742	4.2
157.10085	17.5
159.11699	5.9
161.09576	22.9
163.07489	7.1
163.11159	84.7
164.11929	23.8
171.11609	5.9
173.09560	10.0
173.13223	23.6
175.11136	80.8
177.09068	5.2
177.12730	19.7
179.10690	5.8
187.14738	6.5
189.12756	22.0
191.10634	26.1
191.14275	95.7
195.13763	6.0
201.12753	19.1
203.14297	23.8
205.12172	18.1
205.15822	33.0
206.13026	37.4
206.16669	28.1
217.15825	35.9
218.16661	42.6
219.13692	32.0
233.15221	5.6
234.16071	62.2
251.16441	47.2
269.17410	8.2
275.45883	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	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
55.01857	1.9
55.05497	15.1
56.96561	3.2
57.03428	2.6
57.07067	4.8
67.05483	16.4
69.03417	2.5
69.07061	22.3
71.04975	3.0
79.05444	20.0
81.07046	51.5
81.07489	4.7
83.04965	4.8
83.08584	4.3
85.06520	2.4
91.05441	18.1
93.07026	100.0
95.04922	8.8
95.08579	31.6
97.06539	17.9
105.07018	56.8
107.04902	2.8
107.08581	80.8
109.06498	11.5
109.10171	21.0
111.08041	4.3
117.06992	3.8
119.08554	32.3
119.84833	2.4
121.06487	13.2
121.10117	25.8
123.08015	4.8
123.11638	2.9
124.00608	2.2
129.06952	3.2
131.08548	27.9
133.10121	23.8
135.08031	18.9
135.11676	11.9
137.09566	4.0
137.13249	4.6
139.07544	31.7
140.78354	2.3
145.10109	22.4
147.11684	27.7
149.09595	11.0
149.13239	40.0
151.07495	5.2
153.09091	9.1
157.10091	3.7
158.10910	3.9
159.11705	10.2
161.13235	5.8
163.14815	9.7
165.12755	10.1
173.13210	31.7
175.11185	3.7
177.09081	3.1
187.14816	8.7
191.14255	36.2
193.12161	3.1
195.10158	3.6
197.72243	3.0
205.15886	4.3
207.13789	5.3
209.15315	37.5
223.31239	2.2
233.07413	2.2
233.15350	11.3
251.16441	20.8
269.17593	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Vestic acid
Peak:m/z	Relative Intensity
53.03945	2.0
54.82327	1.6
55.01849	1.7
55.05510	14.6
57.07063	2.2
59.04989	7.4
67.05490	32.2
69.03420	3.7
69.07056	15.6
71.04978	4.5
73.49448	1.6
79.05476	16.8
81.07041	52.3
83.04967	8.4
83.08619	2.3
85.06523	7.9
91.05466	18.5
93.07020	31.4
95.04952	10.1
95.08586	49.6
97.06500	10.3
99.04426	12.6
103.23814	1.8
105.07018	32.4
107.04962	3.1
107.08582	39.7
109.06470	15.8
109.10140	100.0
111.04400	1.9
111.08081	3.0
111.21687	2.0
114.85377	2.3
115.05479	1.7
117.07014	3.9
119.08567	18.2
120.08912	1.6
121.06493	4.1
121.10110	13.9
123.08060	10.7
123.11713	3.0
125.05956	7.5
127.07552	2.1
129.06949	2.7
131.08566	19.0
133.10100	23.4
134.10469	7.5
135.08034	3.5
135.11688	10.1
137.09586	17.0
141.09010	2.0
142.07704	2.4
145.10112	24.7
147.08041	1.8
147.11681	11.6
149.09610	10.3
156.68159	2.1
158.36122	1.7
159.11639	10.9
161.13237	12.1
163.11176	2.8
163.14772	12.2
167.10637	2.2
170.90686	2.1
173.13200	11.5
174.13539	1.9
175.11176	2.3
177.16298	2.6
187.14746	26.0
193.12193	2.2
202.59413	1.9
205.15842	29.7
215.14452	2.2
219.81230	2.2
223.16893	10.9
233.15295	27.9
241.64955	1.9
251.16356	3.8
269.17352	15.6
285.81232	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	269.1746
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
55.01872	4.4
55.05514	21.6
57.03419	3.0
57.07067	3.3
59.04996	34.0
67.05501	22.5
69.03426	20.0
69.07054	13.8
71.04987	19.3
72.21304	2.1
74.33478	2.1
79.05468	33.4
79.06258	2.0
81.03404	4.8
81.07038	49.7
83.04966	17.0
91.05456	59.0
93.07020	41.2
95.04944	27.5
95.08579	20.9
97.02893	9.1
97.06529	12.4
99.04439	11.9
103.05453	2.5
103.57514	1.9
105.07018	100.0
107.04957	9.8
107.08575	36.5
109.06507	26.6
109.10144	14.4
111.04416	2.4
111.08055	4.3
111.48024	1.9
117.06988	21.6
117.50645	2.1
119.04900	5.1
119.08559	30.3
121.06476	4.9
121.10139	14.3
123.08038	10.0
123.11698	2.9
124.05195	2.6
125.09661	3.1
128.06210	10.4
129.06985	4.3
131.08537	27.8
132.23836	2.7
133.06471	11.8
133.10114	51.4
135.04395	2.5
135.08018	19.2
137.09598	2.6
142.07779	2.8
143.08531	18.7
145.10132	18.3
147.08037	3.3
147.11627	10.3
149.09622	8.7
151.11188	4.9
153.09125	2.2
157.10176	4.2
159.11723	3.7
161.09547	29.7
173.13261	2.7
175.11147	4.3
179.10641	20.2
187.14790	4.1
215.14406	2.6
233.15297	15.2
251.16383	16.3
273.73279	2.0
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	2-Hydroperoxy-10-hydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
51.15577	1.6
53.03944	2.6
55.01864	8.7
55.05503	25.3
57.03421	2.4
57.07057	8.6
59.04980	12.9
63.52429	1.8
65.03912	2.7
66.11622	1.9
67.05487	25.8
69.03420	20.0
69.07046	13.5
71.04975	21.0
79.05473	39.2
81.03387	4.8
81.07040	49.8
83.04966	16.4
83.08586	3.1
85.06525	3.9
91.05466	56.8
92.05778	3.3
92.88654	2.2
93.07020	42.9
95.04936	26.6
95.08578	24.8
97.02859	13.5
97.06510	11.0
99.04436	11.0
105.07013	100.0
107.04935	10.5
107.08572	37.4
109.06510	21.9
109.10130	15.4
111.04389	3.4
115.05328	2.4
117.06985	25.8
119.08573	36.1
120.08881	2.4
121.06475	10.6
121.10106	8.8
123.08049	9.3
123.11627	3.7
128.06171	13.6
129.06970	8.5
131.08545	27.6
132.08862	2.6
133.06450	5.0
133.10101	49.2
135.08022	24.9
135.11639	2.5
137.09572	2.8
141.84978	2.1
143.08566	21.8
145.06470	4.9
145.10132	21.2
146.07222	3.0
146.10387	2.6
147.08020	2.3
147.11647	11.4
149.09560	14.3
151.11169	8.8
155.08548	2.6
157.10068	4.6
159.08061	4.3
159.11552	4.0
161.09578	28.1
163.11201	2.6
169.57010	2.7
173.09598	8.1
173.13202	4.3
174.13574	3.0
175.11154	5.2
177.09013	4.0
179.10606	29.9
187.14749	3.9
205.15839	4.5
215.14304	4.2
216.14609	3.6
233.15300	15.6
234.15678	11.6
235.16684	2.3
251.16353	17.8
252.16713	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	269.1745
Annotation	(3beta,8beta,10alpha)-9(12)-Capnellene-3,8,10,14-tetrol
Peak:m/z	Relative Intensity
51.29438	1.8
53.03927	3.1
55.01864	7.6
55.05507	21.7
57.03443	3.4
59.04991	29.5
61.31353	1.5
67.05489	24.6
69.03413	22.6
69.07056	18.3
71.04977	20.7
72.70177	1.8
73.06548	1.7
79.05474	36.3
80.06333	1.6
81.03394	8.5
81.07039	47.0
82.20814	1.6
83.04964	16.7
83.08633	2.4
85.02877	1.8
85.06582	1.8
91.05460	43.0
93.07024	63.9
94.90063	1.8
95.04942	25.7
95.08589	31.6
97.02866	12.3
97.06508	12.7
99.04449	12.0
103.05456	2.1
105.07021	100.0
107.04948	11.0
107.08582	37.8
109.06515	21.8
109.10130	13.6
111.08035	2.8
117.06995	14.1
119.04914	4.0
119.08566	47.4
121.06495	12.2
121.10104	16.3
123.08062	10.3
123.11684	7.7
124.05238	2.4
125.05952	1.8
125.09631	2.9
128.06189	6.9
129.06970	4.1
131.08543	35.7
133.06517	10.1
133.10114	53.0
135.08025	22.0
135.11661	11.3
137.09618	3.5
139.07513	15.2
142.07840	2.5
143.08563	17.4
145.10121	22.8
146.07318	2.7
147.08076	2.7
147.11679	14.3
149.09607	8.5
151.11212	10.3
153.12729	1.9
157.10101	9.0
159.11668	7.4
161.09569	33.0
161.13251	3.6
163.07544	2.4
163.11235	3.1
171.11574	1.9
173.09529	3.2
173.13248	23.5
175.11165	4.0
177.09055	2.7
177.12785	3.8
179.10643	24.7
187.14868	13.3
191.14299	10.1
193.12218	2.5
195.13789	2.2
205.15935	2.3
215.14359	2.8
233.15390	21.3
251.16405	23.7
269.17383	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19696	2.4
51.52581	2.3
52.95015	2.5
53.03925	2.6
54.67916	2.3
55.01869	6.3
55.05505	23.7
56.73383	2.5
57.03414	2.8
57.07074	4.3
59.04976	15.2
61.43251	2.2
66.92183	2.5
67.05496	20.7
69.03416	31.0
69.07052	18.1
71.04977	29.0
79.05473	34.5
81.07044	70.7
83.04962	16.5
83.68928	2.6
85.06560	3.2
85.27660	2.5
91.04938	4.7
91.05465	54.5
93.07027	46.9
95.04956	32.8
95.08576	20.0
97.02871	12.9
97.06500	12.8
99.04441	18.1
101.29282	3.2
105.07024	100.0
107.04941	15.0
107.08591	30.5
109.06538	23.8
109.10132	12.1
111.08074	3.9
113.05949	2.9
114.36402	2.8
117.06988	18.5
119.04925	4.0
119.08580	47.4
121.06516	7.0
121.10133	12.6
123.08042	11.0
123.11707	3.8
124.05219	3.6
125.05965	4.3
128.06181	5.5
129.07010	6.5
131.08557	34.5
133.06506	13.4
133.10114	59.5
134.91473	2.9
135.08031	24.9
137.09628	13.9
142.07693	4.3
143.08578	14.2
145.06465	3.4
145.10115	21.6
147.11731	9.9
149.09587	6.0
151.11140	12.4
157.10135	3.6
161.09628	24.6
163.11275	3.5
172.32256	3.0
173.09608	3.3
173.13231	4.6
175.11143	3.8
177.09122	3.5
179.10641	39.0
180.29617	2.6
191.14226	3.4
215.14297	4.2
233.15346	16.0
251.16386	20.9
252.42082	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	269.1745
Annotation	2-Hydroperoxy-10-hydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
50.75324	2.1
53.03926	3.8
55.01876	6.8
55.05504	33.5
57.03396	3.1
57.07056	3.9
57.52022	1.8
59.04984	22.0
63.94612	1.9
67.05188	2.6
67.05492	43.0
69.03416	45.1
69.07047	26.5
71.04980	21.6
73.06535	3.9
73.84847	2.0
75.02319	2.0
79.05474	45.8
81.03403	9.5
81.07034	82.6
83.04962	32.4
83.56659	2.4
85.06493	5.6
91.05456	64.4
93.07016	52.1
95.04945	34.0
95.08589	29.8
97.02857	14.0
97.06534	23.7
99.04432	11.3
105.07013	100.0
106.04171	2.5
107.04927	10.2
107.08578	46.2
109.06484	34.7
109.10144	33.7
111.08079	3.6
117.07004	17.6
119.04845	2.8
119.08550	55.1
121.06459	14.8
121.10105	14.9
123.08009	20.6
123.11654	2.7
124.05171	3.2
125.09633	3.9
128.06190	12.7
129.07002	5.3
130.07713	2.7
131.08569	31.2
133.06459	4.5
133.10117	57.3
135.08060	27.4
137.09586	6.3
142.07715	3.6
143.08516	20.4
145.10083	23.2
146.07234	2.7
147.08044	3.9
147.11673	6.0
149.09592	17.4
151.11174	14.3
153.09093	2.7
157.10085	10.7
159.08058	2.8
159.11617	4.1
161.09645	28.7
163.11174	3.2
173.13197	3.3
175.11092	4.3
179.10632	26.7
187.14803	6.3
190.63141	2.3
215.14247	9.7
233.15274	21.5
251.16362	17.5
269.17349	3.8
280.93994	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	CHEBI:69139
Peak:m/z	Relative Intensity
50.57130	0.6
52.35343	0.6
53.31144	0.6
55.01865	0.9
55.05499	7.5
57.07058	3.8
59.04984	4.1
64.33762	0.7
67.05495	9.3
69.06675	0.8
69.07055	42.3
71.04971	17.1
79.05481	10.4
81.07037	48.0
83.04961	3.6
83.08608	7.2
85.06524	1.4
87.85526	0.8
91.05453	5.7
93.07023	22.1
95.04977	0.8
95.08587	41.3
97.06496	4.9
97.10132	1.8
99.04436	1.3
101.16669	0.7
105.07005	19.8
107.08575	26.4
108.68637	0.7
109.06471	5.3
109.10130	15.8
111.08083	0.9
114.06248	0.8
117.06985	3.0
119.08540	10.3
121.06499	1.4
121.10126	33.2
123.08034	5.2
123.11687	3.9
125.09604	3.1
131.08502	6.0
133.10094	1.8
135.08015	5.0
135.11668	5.1
137.13239	15.5
139.11151	1.1
141.15181	0.8
145.10097	10.4
147.11658	25.9
147.12743	1.3
149.09592	4.0
151.12723	0.8
153.09070	3.4
153.12712	4.6
159.11667	1.2
161.13214	0.9
163.11111	1.7
163.14789	1.9
165.12704	11.9
167.10619	3.6
177.16414	5.7
187.14763	3.7
205.15891	15.3
211.79211	0.8
223.16888	100.0
251.16647	0.9
256.11938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05508	4.3
58.46848	2.1
62.25337	1.8
67.05487	12.2
69.07077	15.6
71.01306	3.0
71.04974	3.0
76.77845	2.7
79.05459	12.3
81.07039	35.9
85.02892	23.9
91.05461	18.3
93.07025	45.6
93.27799	1.9
95.04941	3.1
95.08577	15.8
97.06517	2.3
99.04436	17.5
100.05202	2.9
104.99288	2.6
105.07018	18.0
106.99536	2.4
107.04898	2.2
107.08578	31.7
109.06493	13.6
109.10128	3.9
117.06991	12.7
119.08548	12.6
121.06480	11.3
121.10137	13.0
123.04385	4.5
123.08058	3.5
123.11681	2.4
124.08836	5.3
129.07002	3.1
131.08537	37.5
133.10078	4.1
135.08012	8.7
135.11642	18.9
137.05896	2.6
137.13213	5.1
145.10121	14.2
147.11658	2.7
148.08745	3.2
149.05981	3.3
149.09576	19.5
150.06708	8.1
151.07565	4.3
155.08578	2.7
157.10124	4.5
159.08098	3.0
159.11685	12.2
161.09586	4.0
163.07518	100.0
163.11166	25.2
165.09097	3.9
173.09601	16.4
173.13245	26.3
174.13965	2.1
177.09137	4.0
191.10611	48.0
191.14281	12.2
201.12683	17.3
214.15343	2.0
216.15031	9.1
217.15927	2.9
219.13797	11.0
233.15361	5.4
234.16087	79.9
251.16438	4.0
269.17407	8.5
285.93353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1381
Annotation	Teucrein
Peak:m/z	Relative Intensity
53.03938	6.7
55.01862	14.5
55.05510	14.7
57.03425	3.1
57.07067	3.8
59.04982	9.8
64.34467	1.4
64.68369	1.3
65.03929	2.3
67.05495	29.0
69.03423	18.0
69.07049	27.1
71.04971	31.9
73.06525	3.2
75.04460	2.9
79.05475	38.1
81.07038	49.0
82.07382	1.5
83.04971	27.4
85.02910	2.2
85.06543	9.0
91.05455	35.1
92.09106	3.8
93.07021	40.3
95.04934	22.4
95.08580	32.6
97.02849	13.0
97.06509	19.7
99.04417	3.8
105.07005	44.7
107.04931	7.3
107.08573	27.8
109.06487	16.6
109.10147	11.3
111.08072	9.0
112.72523	1.7
113.05981	3.7
113.09596	2.0
115.03930	7.8
117.06994	10.2
119.08549	29.6
120.37884	1.7
121.06476	8.1
121.10099	19.9
123.04464	2.2
123.08044	43.5
125.09621	3.3
127.07544	2.6
128.06194	3.8
130.07742	2.2
131.08568	19.1
133.06493	3.9
133.10095	14.9
135.08060	8.9
135.11664	6.3
137.09618	8.9
139.07526	11.9
141.09106	6.6
142.07806	2.8
143.08575	3.6
145.10118	24.7
147.08038	13.0
147.11655	8.8
148.17894	1.9
149.05969	2.0
149.09595	15.5
151.07518	57.3
151.11162	2.7
153.09102	8.4
157.10110	7.4
159.11667	3.1
161.09569	11.9
163.07518	2.7
163.11148	14.9
165.09082	47.5
173.09578	8.5
173.13176	2.0
175.11217	6.4
181.08546	36.8
181.12141	2.7
183.10178	11.7
187.11078	2.1
191.10620	8.7
191.14406	1.9
193.08661	2.3
205.12207	10.6
205.33516	1.7
209.11674	30.5
215.14236	2.7
221.15327	2.6
223.13252	100.0
233.15279	4.1
251.12758	22.1
251.16394	6.7
269.10825	2.9
269.13736	41.5
269.17142	2.7
281.82559	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01862	14.5
55.05510	14.7
57.03425	3.1
57.07067	3.8
59.04982	9.8
64.34467	1.4
64.68369	1.3
65.03929	2.3
67.05495	29.0
69.03423	18.0
69.07049	27.1
71.04971	31.9
73.06525	3.2
75.04460	2.9
79.05475	38.1
81.07038	49.0
82.07382	1.5
83.04971	27.4
85.02910	2.2
85.06543	9.0
91.05455	35.1
92.09106	3.8
93.07021	40.3
95.04934	22.4
95.08580	32.6
97.02849	13.0
97.06509	19.7
99.04417	3.8
105.07005	44.7
107.04931	7.3
107.08573	27.8
109.06487	16.6
109.10147	11.3
111.08072	9.0
112.72523	1.7
113.05981	3.7
113.09596	2.0
115.03930	7.8
117.06994	10.2
119.08549	29.6
120.37884	1.7
121.06476	8.1
121.10099	19.9
123.04464	2.2
123.08044	43.5
125.09621	3.3
127.07544	2.6
128.06194	3.8
130.07742	2.2
131.08568	19.1
133.06493	3.9
133.10095	14.9
135.08060	8.9
135.11664	6.3
137.09618	8.9
139.07526	11.9
141.09106	6.6
142.07806	2.8
143.08575	3.6
145.10118	24.7
147.08038	13.0
147.11655	8.8
148.17894	1.9
149.05969	2.0
149.09595	15.5
151.07518	57.3
151.11162	2.7
153.09102	8.4
157.10110	7.4
159.11667	3.1
161.09569	11.9
163.07518	2.7
163.11148	14.9
165.09082	47.5
173.09578	8.5
173.13176	2.0
175.11217	6.4
181.08546	36.8
181.12141	2.7
183.10178	11.7
187.11078	2.1
191.10620	8.7
191.14406	1.9
193.08661	2.3
205.12207	10.6
205.33516	1.7
209.11674	30.5
215.14236	2.7
221.15327	2.6
223.13252	100.0
233.15279	4.1
251.12758	22.1
251.16394	6.7
269.10825	2.9
269.13736	41.5
269.17142	2.7
281.82559	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21346	1.2
53.03945	2.3
55.01854	2.6
55.05490	1.2
56.94273	1.0
56.96553	1.0
57.03432	11.5
57.07065	3.1
59.04959	1.4
60.58870	1.1
61.02915	17.5
61.87037	1.1
64.35822	0.9
65.01907	1.2
67.05483	2.8
69.03421	26.8
69.07056	2.7
71.04958	2.6
73.02893	12.8
74.06040	1.2
78.09451	1.2
81.03409	9.0
81.07021	2.3
83.01271	1.2
85.02890	100.0
85.06514	5.8
86.03223	2.2
87.04450	5.0
87.08103	4.8
88.08423	1.8
89.06013	1.4
91.03925	2.8
91.05451	6.2
92.09283	1.7
95.04944	1.6
97.02865	28.5
98.97537	2.1
99.04419	5.4
105.06978	1.9
107.04990	1.2
109.02876	7.2
115.03909	1.9
120.04453	1.7
120.90075	1.2
121.06477	10.0
127.03898	19.3
131.08540	1.5
136.06189	15.3
138.05479	9.4
145.04955	24.7
145.10106	1.4
163.05995	2.2
170.35809	1.2
180.08652	2.1
215.09109	1.8
218.35175	1.3
221.59676	1.3
222.11223	5.2
240.16312	1.2
250.17917	2.4
257.32965	1.3
268.11707	11.5
268.18860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03978	0.3
55.05487	0.8
57.07087	0.4
58.06575	0.4
63.08618	0.4
69.07041	1.0
70.06567	0.5
79.05468	2.6
81.07041	7.8
83.04945	0.4
83.08580	1.0
91.05473	4.1
93.07008	4.8
94.06509	0.6
95.04894	0.5
95.08574	6.5
96.08098	0.9
101.43283	0.5
105.07009	8.0
107.08580	5.2
109.10135	0.6
119.08553	7.6
121.06479	1.0
121.10108	2.2
131.08537	6.7
133.10124	6.2
135.11624	0.6
136.06143	1.0
143.77728	0.4
145.10098	5.6
147.08052	0.5
147.11665	8.6
151.07487	1.0
159.11676	1.7
161.13152	0.5
165.09004	0.6
171.11635	0.6
173.13054	0.5
175.11221	0.9
175.14777	13.8
177.16341	0.5
179.18466	0.6
187.14774	6.2
197.13252	0.7
203.14336	2.6
204.17403	3.3
215.14217	0.5
221.15344	1.1
232.16841	4.4
250.17953	19.6
268.19009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1906
Annotation	Metoprolol
Peak:m/z	Relative Intensity
52.14960	0.4
58.06586	0.8
62.50996	0.5
64.33134	0.5
64.93946	0.5
69.07059	1.1
71.85292	0.4
79.05476	2.7
81.07040	9.1
83.04960	0.5
83.08591	0.7
87.60513	0.5
90.51878	0.5
91.05476	4.7
91.68548	0.4
93.07029	4.9
95.08596	6.6
96.08085	1.0
100.86163	0.5
105.07030	8.7
107.08595	4.6
108.08179	0.6
109.10135	0.7
111.08046	0.5
117.07039	1.9
118.82349	0.4
119.08572	8.2
121.06484	0.5
121.10101	1.3
125.42824	0.6
131.08557	8.3
133.10130	4.9
136.06250	0.6
145.10135	5.2
147.11659	7.9
150.08910	0.5
151.07500	2.5
157.10294	0.5
159.11682	2.3
161.13216	0.7
165.09135	0.8
175.11214	0.8
175.13364	1.0
175.14792	18.2
187.14790	6.8
197.13321	0.6
203.14288	2.7
204.17455	2.7
221.15332	2.7
232.16920	5.1
250.17990	21.5
268.19034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
54.54165	2.4
55.01859	4.1
55.05508	19.4
59.05001	2.3
61.90732	2.1
62.66634	1.8
65.03917	3.5
67.05495	28.7
69.03433	2.7
69.07058	13.8
71.04977	4.3
71.74046	2.0
77.03893	2.5
79.05481	24.7
81.07033	29.2
83.04968	13.8
83.08611	9.5
91.05455	45.6
93.07013	32.4
95.04951	23.8
95.08589	46.6
97.06509	4.4
105.07029	34.6
107.08563	22.2
109.06511	15.2
109.10152	11.5
111.08077	2.2
114.37274	2.4
115.05463	3.0
117.06979	26.2
118.24526	2.6
119.08539	30.8
121.06470	10.4
121.10104	17.0
123.04401	5.0
123.08047	3.1
129.06996	18.7
131.08537	44.8
133.06496	3.3
133.10115	22.6
135.08020	18.9
137.09628	3.9
143.08530	4.0
145.10083	32.6
147.11679	11.8
149.09630	12.5
150.53145	2.3
151.11177	2.7
155.08519	26.9
157.10078	9.3
159.07976	4.9
159.11697	12.7
161.13245	2.8
163.11147	3.1
169.10039	4.2
171.11664	11.6
173.09586	42.6
173.13223	39.3
175.11238	4.3
177.09073	14.5
187.11101	3.5
187.14795	18.1
189.12698	3.4
197.13275	9.6
205.15843	23.7
215.14362	22.9
233.15317	65.4
251.16373	100.0
268.19009	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	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
53.23058	4.8
53.42632	4.5
54.37144	3.6
55.05501	32.9
57.07056	8.8
57.63147	4.5
61.37178	4.0
63.55845	4.0
67.05481	21.2
69.03412	6.9
69.07043	7.4
71.04967	6.1
72.77903	4.6
79.05460	32.8
81.07042	35.1
81.12703	5.2
83.04964	6.4
85.06522	8.1
91.05451	46.7
92.09309	5.4
93.07034	75.0
95.04948	12.5
95.08577	11.6
97.06505	4.9
105.07025	100.0
107.08593	51.7
109.06493	10.8
117.06991	11.1
119.08576	60.7
120.10385	4.8
121.06490	12.0
121.10136	36.1
122.10453	5.6
123.08066	6.4
129.07036	7.9
129.55426	5.1
131.08543	35.5
133.10117	29.7
135.08051	6.4
135.11671	12.0
136.06178	33.2
143.08563	11.7
145.10086	56.2
147.11707	38.2
149.09506	5.7
151.38176	5.3
157.10065	11.7
159.11684	7.9
161.09615	6.8
161.13231	5.8
187.14737	5.6
190.20940	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	267.159
Annotation	Helibisabonol B
Peak:m/z	Relative Intensity
53.00298	1.9
53.03932	12.4
54.07671	1.9
55.01859	10.7
55.05264	2.5
55.05507	41.2
57.03417	8.8
57.07050	3.0
59.04982	3.2
65.03925	3.5
67.05490	50.2
69.03403	13.2
69.07040	3.9
71.04975	4.9
78.16874	2.1
79.05476	69.4
80.06254	2.1
81.03387	2.3
81.07037	100.0
83.04973	23.1
85.83377	1.9
91.05466	72.2
93.07025	46.9
95.04948	36.2
95.08584	31.7
97.06488	4.6
99.04465	2.1
103.05453	5.2
105.04534	3.0
105.07010	60.6
107.04925	8.2
107.08564	16.0
108.05729	3.7
109.06517	23.2
109.55500	2.1
111.04405	4.8
111.08060	4.9
117.06999	12.3
119.08559	20.5
121.06475	11.5
121.10108	2.8
122.07239	3.0
123.08030	14.3
128.06190	4.5
129.07008	10.6
130.07738	2.2
131.08563	17.9
133.06483	4.0
133.10088	9.9
134.07391	2.0
135.08023	3.6
135.31189	2.2
137.05978	3.4
141.06978	3.0
142.07806	3.2
143.08516	2.5
145.06528	3.7
145.10115	10.3
147.11658	3.2
149.09644	3.5
151.07487	3.8
173.08073	2.2
173.17424	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	267.1588
Annotation	Helibisabonol B
Peak:m/z	Relative Intensity
53.00317	1.3
53.03933	9.3
54.81705	2.0
55.01857	7.9
55.05505	26.2
56.13106	1.4
56.51085	1.2
57.03420	6.0
57.07051	1.9
57.46227	1.2
59.04980	2.0
65.03922	2.7
67.05190	2.0
67.05490	32.5
69.03404	11.7
69.07053	7.9
71.04992	5.6
72.77630	1.3
75.04487	1.4
79.05474	73.6
81.03397	2.6
81.07035	100.0
83.04964	20.8
85.02882	1.5
91.05456	61.6
92.09267	1.8
93.07018	47.5
94.04191	1.4
95.04940	27.9
95.08578	25.0
96.05747	1.9
97.06525	3.2
99.04441	6.2
101.35880	1.5
103.05444	6.5
105.07015	67.8
107.04949	7.1
107.08578	24.4
109.06503	22.0
109.10137	2.5
111.04440	1.9
113.05997	1.6
115.05435	7.6
116.06214	2.6
117.06999	21.7
119.04913	2.0
119.08559	29.8
121.06475	14.4
121.10069	2.6
123.08031	10.7
123.11681	2.3
128.06197	8.8
129.06952	11.8
130.07794	3.6
131.08542	26.2
132.09348	2.1
133.06422	7.0
133.10100	13.4
135.08018	6.0
135.61574	1.6
137.09610	3.7
139.07520	2.2
141.06934	6.4
142.07736	6.7
143.08533	12.2
144.09349	1.7
145.06436	2.3
145.10118	14.7
147.08044	9.1
147.11618	6.6
149.09608	2.6
151.07538	12.2
151.11168	3.2
153.07002	1.9
155.08539	7.8
157.10167	6.1
159.11668	6.3
161.09610	7.1
161.13171	1.8
163.11111	2.0
167.08472	2.7
169.10129	3.3
171.11671	2.4
173.13110	1.5
175.11095	1.6
175.14853	1.8
182.10785	1.8
189.12645	2.9
193.12195	2.3
219.13821	2.4
221.15268	1.6
249.14775	8.1
267.15802	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.39526	0.2
55.01847	0.7
57.03415	0.7
59.28962	0.1
65.09016	0.1
69.03410	0.7
71.01341	0.3
73.02895	0.4
74.40133	0.2
79.63406	0.2
85.02879	0.8
92.08676	0.2
94.04030	0.2
97.07597	0.1
115.03876	0.3
119.03507	0.8
136.06160	100.0
137.04567	0.8
188.82025	0.2
195.08434	0.2
198.81934	0.2
200.45973	0.2
268.10309	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	267.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64582	2.3
53.03933	15.7
53.47667	2.3
55.01868	19.8
55.05504	36.2
56.84584	2.1
57.03422	4.9
57.07099	2.3
59.04979	3.0
64.97532	2.1
65.03921	9.7
65.25626	2.2
67.05497	32.6
68.02631	2.5
69.03416	27.2
69.07058	6.3
71.01317	3.1
71.04974	3.5
75.04458	3.8
75.29955	2.3
79.05054	4.5
79.05476	85.5
81.03390	3.0
81.06606	4.2
81.07043	86.4
83.04967	44.2
85.02889	4.3
91.04887	3.7
91.05465	100.0
93.07024	57.6
95.04945	41.8
95.08603	23.8
97.02874	36.8
97.06519	4.9
99.04425	35.1
103.05442	3.0
104.08592	2.5
105.07016	77.3
107.04925	12.9
107.08574	33.7
108.99722	2.5
109.02916	3.6
109.06496	21.6
109.10148	3.5
111.04428	17.9
115.05419	10.0
116.06219	6.1
117.06974	16.2
119.08546	30.3
121.06513	18.0
121.10127	14.4
123.04408	2.5
123.08013	6.0
128.06161	2.9
129.06973	15.5
130.07806	3.1
131.08557	27.0
133.06476	4.9
133.10126	14.1
135.08035	16.8
137.09584	2.7
142.07712	2.5
143.08621	7.8
145.10104	11.3
147.08034	18.5
147.11644	3.7
149.09593	11.3
149.19922	2.4
150.82147	2.5
153.78532	2.9
157.46725	2.6
158.07236	3.0
161.09627	3.9
165.09058	3.1
173.09628	2.9
191.10666	2.5
249.14835	4.2
267.15808	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	267.1589
Annotation	Helibisabonol B
Peak:m/z	Relative Intensity
53.03951	1.5
55.01861	6.3
55.05500	6.3
55.17455	0.8
57.03424	1.8
64.90636	0.9
67.05489	5.4
69.03416	4.7
69.07045	1.8
70.20740	0.9
70.43076	0.9
71.04979	4.7
72.97253	0.8
73.89098	0.9
79.05473	21.7
81.03398	3.3
81.07043	12.8
83.04995	1.2
91.05457	25.7
93.07021	34.7
95.04947	5.5
95.08569	3.4
103.05408	1.0
105.06393	1.1
105.07009	30.4
105.07661	1.6
107.04940	12.7
107.08584	17.8
109.06498	2.1
109.10155	2.0
111.08076	1.1
116.06219	3.5
117.07019	5.0
119.08559	12.5
121.06479	18.8
121.10122	23.0
128.06218	1.8
129.06946	7.1
130.07826	1.1
131.08543	38.9
133.06471	4.0
133.10094	9.1
134.07275	3.9
135.08052	4.2
142.07793	4.0
143.08525	2.1
145.10167	7.8
147.08025	5.5
147.11673	6.6
149.09598	80.7
156.09267	2.3
157.10115	5.1
159.07993	3.9
161.09561	2.0
163.11072	6.8
165.09114	1.3
171.11624	3.8
175.11096	10.4
177.09076	100.0
179.10698	3.9
189.12695	8.3
191.10625	4.7
193.12245	1.1
203.14314	1.1
207.13808	1.1
217.12169	2.0
221.15379	1.4
242.52945	1.1
249.14877	1.5
267.15753	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	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56203	1.8
53.00312	2.0
53.03936	18.0
53.20446	1.7
53.70537	1.8
54.22135	1.8
55.01853	14.3
55.05510	41.2
55.12356	2.2
57.03415	8.4
59.04990	3.3
62.77613	2.1
65.03920	9.1
67.05489	58.8
69.03410	18.2
69.07048	5.2
71.04967	2.7
74.18672	2.1
79.05473	79.6
81.03383	3.0
81.07039	100.0
83.04966	33.3
85.02882	4.1
85.06528	3.6
86.01089	2.1
91.05460	81.2
93.06492	3.0
93.07027	61.3
95.04936	32.9
95.08591	33.4
96.88651	2.1
97.02887	19.3
97.06506	4.1
99.04430	19.7
103.05428	12.6
103.87964	2.2
105.04536	2.8
105.07012	81.0
107.04925	13.3
107.08567	25.6
108.05754	2.6
109.06499	21.5
109.10143	3.0
111.04427	13.2
111.08073	3.7
115.05451	9.1
116.06213	3.3
117.06989	24.7
119.08572	37.1
121.06496	22.0
121.10107	11.6
123.08004	18.5
128.06223	8.1
129.06964	10.5
130.07785	4.5
131.08551	24.9
133.06450	9.5
133.10089	13.1
135.08034	9.2
142.07829	2.7
143.08504	4.1
145.06471	3.3
145.10086	11.9
147.08023	7.9
149.09668	6.6
151.07611	3.1
157.10065	2.9
161.09547	3.2
212.07320	2.3
251.01526	2.7
267.15924	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	266.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.3
53.03927	1.1
55.01868	1.5
56.35979	0.6
57.03422	4.7
57.07070	1.0
61.02915	10.2
67.05484	0.8
69.03418	16.1
69.07056	100.0
71.04993	1.3
71.08609	1.4
73.02898	5.8
74.38337	0.6
75.26174	0.5
76.56042	0.5
79.05456	0.5
81.03402	6.4
81.07029	1.4
83.01346	0.6
84.33305	0.6
85.02894	89.9
87.04449	2.3
91.03961	5.3
93.07000	0.5
97.02876	15.9
99.04443	4.4
101.02364	0.6
105.69617	0.6
109.02860	7.9
111.62031	0.6
115.03921	0.8
126.43694	0.6
127.03901	18.2
144.75122	0.7
145.04941	28.4
145.29160	0.7
162.10461	0.6
163.06001	14.9
204.00560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68026	0.3
53.00297	1.6
53.03946	0.4
55.01876	0.4
57.03430	0.5
57.07076	0.7
61.02902	1.5
65.29333	0.3
67.05503	1.5
69.03417	2.7
69.07058	100.0
70.06588	0.3
73.02894	0.5
79.05531	0.5
81.03417	1.2
81.07063	0.4
85.02892	12.5
85.10140	0.3
87.08093	33.1
91.05450	0.5
96.04572	0.3
97.02868	3.0
103.03998	0.4
105.03401	0.4
105.07047	0.4
105.09135	8.7
109.02843	0.3
119.04930	0.7
127.03918	1.9
131.08586	0.3
137.05988	0.3
137.94595	0.3
145.04910	0.4
147.04434	1.2
157.10275	0.3
161.09648	0.5
162.03165	0.4
177.05438	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	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23471	0.1
56.28135	0.1
57.07054	0.7
60.20941	0.1
68.82122	0.2
69.61428	0.2
70.75774	0.2
71.08612	0.3
83.63957	0.2
84.53433	0.2
85.10195	0.2
89.29478	0.1
93.41548	0.2
95.26488	0.1
101.00864	3.5
107.34410	0.2
114.37069	0.1
119.01902	17.7
134.99895	1.2
137.02936	4.6
140.98811	0.2
153.00941	0.8
154.63496	0.2
158.99815	1.5
175.02936	0.8
177.00925	36.2
178.01106	0.3
181.84180	0.2
182.99821	0.4
184.29193	0.2
187.34470	0.2
193.04092	0.7
195.02052	0.7
201.00899	1.2
217.04057	4.3
219.01978	41.0
219.94542	0.2
220.02083	0.3
225.00789	1.8
234.00694	0.3
242.03688	0.2
243.01932	6.0
261.03015	100.0
262.03192	1.3
263.03488	0.2
284.04611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Abscisate
Peak:m/z	Relative Intensity
53.03939	4.2
55.05511	2.9
61.75935	2.2
67.05494	6.4
69.03417	31.2
79.05494	20.8
81.07052	11.3
83.04969	44.5
91.05457	22.9
93.03382	3.5
93.07021	32.3
95.04958	15.1
95.08596	2.9
97.02888	2.9
105.07014	25.1
107.08565	50.1
109.02861	19.9
109.06513	16.9
111.04443	16.5
113.05979	3.0
115.05450	4.0
117.07018	22.2
119.08555	29.7
121.06490	52.2
121.10131	6.3
123.08085	11.6
129.07042	10.7
131.08534	36.8
133.10114	14.9
135.08031	100.0
137.06027	4.4
137.09572	5.0
140.30959	2.9
141.06918	2.9
142.07788	5.0
143.08578	18.0
144.09369	12.6
145.06438	16.0
145.10149	15.7
147.08022	4.3
149.09631	18.1
153.09081	2.6
154.17451	2.7
155.08582	5.5
157.10162	4.6
158.10898	18.2
159.08037	12.4
159.11673	29.0
161.09592	5.7
163.07475	27.6
163.11168	5.7
168.09386	3.3
171.08009	11.1
172.08839	14.4
173.09654	22.5
173.13222	43.9
183.11748	4.8
186.10376	29.2
187.11145	85.6
191.07048	12.8
196.08769	5.3
201.12698	45.2
205.12245	13.3
209.07988	3.0
211.11166	6.4
219.13809	13.1
229.12219	43.6
247.13249	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.00302	1.5
53.03944	8.4
54.49668	1.5
55.01859	2.7
55.05504	4.2
57.07066	8.4
59.04994	2.2
61.54945	1.8
63.66243	1.6
64.33190	1.8
65.03934	7.9
67.05505	11.3
69.03416	22.6
69.07057	3.0
71.04970	2.1
79.05473	23.9
79.97498	1.9
81.07037	16.9
83.04970	39.9
83.08571	2.0
85.06554	2.0
91.05469	35.3
93.03409	3.2
93.07024	40.2
95.04940	12.6
95.08584	7.0
97.02885	4.2
98.71200	1.8
103.05453	2.2
105.07020	32.2
107.08581	52.8
109.02869	19.8
109.06509	24.6
109.10129	2.5
111.04410	16.4
111.08076	3.6
113.06013	2.0
115.05436	7.8
117.06992	19.1
119.08556	40.0
121.02854	2.6
121.06484	55.4
121.10107	10.8
123.04378	2.2
123.08066	9.1
125.09653	2.2
128.06229	7.5
129.06989	10.6
130.07755	2.7
131.08533	31.0
133.06490	3.5
133.10120	17.7
135.08035	100.0
135.11667	2.4
137.09581	3.2
142.07777	3.6
143.08525	22.5
144.09326	18.0
145.06454	16.6
145.10078	21.9
146.07285	2.0
147.08032	8.2
149.06036	2.2
149.09602	23.4
151.07541	2.3
151.11131	2.2
153.07019	2.5
155.08536	7.3
156.09378	1.7
157.10121	2.6
158.07233	3.1
158.10902	23.0
159.07997	14.8
159.11682	38.7
160.08861	3.1
161.09590	7.5
163.07520	37.2
163.11165	11.0
168.09323	4.0
170.10889	4.4
171.08052	8.9
172.08789	19.7
173.09637	26.0
173.13217	48.5
181.06532	2.2
183.11699	8.3
186.10349	29.1
187.11145	87.6
189.09093	2.0
191.07016	18.7
195.82462	1.9
196.08810	4.0
201.12721	54.5
205.12219	13.4
211.11151	14.5
219.13802	12.7
229.12202	48.3
229.14259	3.4
247.13284	39.6
265.14233	2.9
265.23480	1.8
267.33981	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.17142	4.2
55.01852	4.6
55.05511	10.3
61.78388	3.9
65.03936	5.1
66.31329	4.2
67.05484	42.8
69.03411	41.1
71.04994	10.0
71.53406	4.0
73.38118	4.1
79.05472	24.8
81.07038	27.4
83.04935	9.0
91.05465	74.2
93.07027	57.7
95.04958	48.0
95.08575	20.2
97.06515	6.2
103.05430	5.1
105.07026	98.4
107.08590	31.7
109.06499	30.1
111.04425	18.8
111.08102	11.3
113.06009	7.5
115.05447	9.0
116.06246	5.8
117.06987	23.8
119.08570	100.0
121.02826	11.2
121.06473	61.3
121.10142	12.1
123.08044	27.2
125.05938	5.9
127.57122	5.0
128.06161	5.5
129.06982	26.9
130.07762	7.2
131.08557	49.1
133.06461	8.1
133.10098	31.0
135.08037	77.4
141.06975	11.3
142.07755	21.8
143.08575	10.3
144.09357	11.6
145.06520	11.7
145.10081	49.2
146.07269	7.3
147.05055	5.1
147.08029	46.9
147.11684	18.4
149.09621	9.7
151.07510	6.1
151.64702	6.7
155.08510	6.0
156.09381	5.1
157.06519	5.4
157.10127	29.4
158.07257	30.9
159.07994	40.2
159.11682	31.6
161.09590	38.5
165.09103	29.8
168.09271	8.1
171.08002	6.9
171.11610	9.2
172.08795	28.5
173.09599	12.2
173.13254	23.2
175.07550	59.7
175.11186	39.1
183.11668	11.9
187.11148	32.7
189.12695	19.8
192.45158	5.9
196.08784	7.0
199.11125	8.1
201.12642	34.6
203.10651	31.3
205.12257	8.4
211.11205	9.1
217.12271	11.5
219.13751	6.7
229.12144	9.9
235.13322	6.0
247.13205	40.6
265.14288	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Curcumenolactone C
Peak:m/z	Relative Intensity
53.03946	5.9
54.98477	2.4
55.01868	11.3
55.05503	12.7
56.96561	6.4
59.04996	10.3
66.09138	2.6
66.50882	2.2
67.05495	27.6
69.03411	19.2
69.07062	11.9
71.04985	14.0
79.05476	40.1
81.07037	65.6
83.04994	20.1
85.06556	2.9
91.05463	70.0
93.07021	39.9
94.17464	2.3
95.04977	19.2
95.08577	32.8
97.06510	10.0
99.04400	3.7
103.05450	4.7
105.07014	75.1
107.05007	9.3
107.08614	32.5
109.06522	25.7
109.10152	15.7
111.08036	3.6
115.05459	5.4
117.06979	21.3
119.08557	84.4
121.06490	42.7
121.10149	12.2
123.08057	13.4
128.06168	19.4
128.55269	2.7
129.06976	16.6
129.22594	2.5
130.07750	5.6
131.04950	3.0
131.08559	33.9
132.05745	2.8
133.06493	16.6
133.10123	37.6
134.03554	3.5
135.04439	6.4
135.08020	5.8
135.11694	4.7
137.05971	6.5
137.09589	30.3
139.07588	4.0
141.07019	3.0
143.08531	18.0
145.06493	11.3
145.10143	23.8
146.07254	5.1
146.20164	3.1
147.08035	50.2
147.11726	11.8
147.21861	2.8
149.05956	3.4
149.09612	10.6
151.11142	3.4
153.07048	2.9
155.07063	10.6
155.08569	3.1
156.09465	3.1
157.06416	2.9
157.10133	3.6
159.08009	6.2
159.11693	17.2
161.09599	100.0
163.07434	4.2
163.11220	5.4
165.09100	16.4
171.08043	10.7
172.08922	2.9
173.09608	6.2
175.07509	17.8
175.11223	3.1
177.09077	3.0
177.12767	3.6
179.07124	2.8
179.10703	3.9
183.11613	4.0
187.11209	13.0
189.09109	23.2
189.12730	16.0
191.10669	14.9
197.48875	2.7
201.12752	6.0
205.12218	10.1
205.15852	3.4
207.10199	17.2
219.13802	12.3
224.17191	2.9
229.12207	10.8
247.13277	15.4
247.16974	4.0
265.14297	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	265.1432
Annotation	Anthepseudolide
Peak:m/z	Relative Intensity
53.03931	1.3
54.17118	1.0
55.01860	5.1
55.05489	5.5
58.54708	1.3
59.04965	2.4
67.05492	38.4
69.03400	5.2
69.07052	59.2
71.04613	1.5
71.04979	25.2
77.03883	1.4
79.05466	16.5
81.03389	1.3
81.07043	13.8
83.04971	2.2
85.83953	1.3
91.05464	18.7
93.07030	18.5
94.79200	1.4
95.04946	25.5
95.08582	22.9
97.06510	60.6
99.03837	2.0
99.04437	33.4
105.07014	26.5
107.04953	3.3
107.08566	16.3
109.06492	27.3
109.10147	11.8
115.05413	1.6
117.06982	11.5
119.08566	23.1
121.06485	8.3
121.10112	16.1
123.04427	2.2
123.08045	100.0
125.05977	14.2
128.06181	5.4
129.06975	2.4
131.08542	11.7
133.10088	11.6
135.08049	27.3
135.11656	3.0
137.09592	10.8
141.07010	1.9
143.07004	13.3
143.08531	7.3
144.09293	3.2
145.06473	5.5
145.10088	8.8
147.08049	12.0
147.11703	2.3
149.05952	2.3
149.09599	6.3
153.06874	1.5
155.08524	1.9
157.10130	2.0
159.08049	6.9
159.11702	14.2
161.09642	14.7
163.07503	1.8
163.11089	2.1
165.09097	19.3
169.10152	2.6
171.08020	1.9
173.13271	2.7
177.09019	1.8
177.12703	5.6
183.10123	7.5
183.11629	2.8
187.07462	2.1
187.11142	20.2
188.78767	1.3
189.09001	2.9
191.14284	7.1
201.12697	16.6
203.14278	1.3
205.08597	2.9
205.12192	8.9
207.10100	2.1
211.11153	2.0
219.13727	11.5
220.03386	1.4
229.12148	9.3
247.13242	21.6
265.14282	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	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35350	2.4
53.45203	2.0
55.01865	11.8
58.90067	2.2
59.04969	2.5
59.54020	2.3
59.77766	2.3
61.02913	5.8
67.05499	3.5
69.03419	11.1
71.01348	5.8
73.16888	2.3
77.68785	2.1
78.94505	2.6
79.05462	2.8
81.07046	10.8
85.02907	5.5
85.06561	3.1
88.85130	2.4
91.05463	31.1
92.65047	2.9
95.04981	3.2
95.08585	9.8
97.02858	58.4
98.29716	2.8
100.44576	2.7
102.32825	2.8
103.03913	3.8
103.05480	5.5
103.07584	4.4
105.07010	22.6
107.04948	10.1
115.05455	22.1
116.06219	4.9
117.07016	29.5
119.08594	6.5
121.06453	20.4
122.07115	5.1
128.06216	40.5
129.06995	61.0
129.78494	2.8
131.04907	4.8
131.08549	47.8
132.05681	2.8
133.06458	44.2
133.07210	2.8
141.06973	47.9
143.08582	16.7
144.05673	30.6
145.06467	34.3
145.10109	4.2
147.04491	4.8
147.08061	14.8
151.07518	100.0
151.08638	4.4
153.06984	20.1
154.07741	4.8
155.06099	3.3
155.08537	30.1
157.06473	93.4
158.07231	19.6
159.08022	84.4
165.05534	9.5
165.06989	11.3
168.05783	5.0
169.06476	15.3
171.04465	4.3
171.08034	43.5
175.07510	91.2
175.08887	4.0
181.06458	4.1
183.08005	20.3
185.05930	27.8
186.06793	11.6
187.07518	76.5
189.08995	5.5
199.07480	34.8
201.09061	18.2
201.28302	2.7
203.07037	11.1
205.08652	14.1
211.07555	4.4
212.87537	2.7
217.08563	82.8
229.08556	36.1
235.09607	53.6
247.09587	51.3
255.97073	3.0
265.10602	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	265.1433
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.03931	3.3
54.58762	2.3
55.01863	4.5
55.05490	4.1
57.07061	12.4
59.04985	6.5
65.03907	4.2
67.05479	14.2
68.76929	2.5
68.99781	5.8
69.03402	18.3
69.07031	2.3
79.05474	33.9
81.07034	18.0
83.04957	15.5
84.03490	2.6
85.02884	5.1
85.41009	2.8
91.05460	44.9
93.03347	3.1
93.07027	38.2
95.04933	16.2
95.08579	12.0
97.06504	6.2
98.97577	4.7
100.27231	2.6
105.07010	31.1
107.04918	4.5
107.08576	69.4
109.06498	34.2
109.10136	4.9
111.04413	6.8
111.08075	24.8
113.02304	2.8
115.05426	6.5
115.59020	3.2
117.07004	36.9
119.08559	48.8
121.02837	5.1
121.06472	61.4
121.10117	19.2
123.04446	4.7
123.08034	6.4
125.09621	16.0
129.06973	3.5
131.08522	20.4
133.10120	6.1
135.06961	3.4
135.08022	100.0
135.11667	14.5
139.03856	5.0
145.06461	31.3
145.10081	6.2
147.08035	12.0
149.05959	10.5
149.09587	6.3
151.07480	12.2
153.09087	14.8
159.08063	4.7
159.11650	23.3
161.09575	4.7
163.07494	63.3
163.11148	3.6
171.08109	4.0
172.08815	4.9
173.05865	4.8
173.09639	5.0
173.13220	12.3
177.12723	4.3
178.19753	2.7
181.08569	24.9
187.11168	18.1
189.09035	3.3
191.06927	6.0
201.12723	12.2
205.12207	15.0
209.08052	37.7
219.13701	4.2
229.12210	6.7
247.13268	13.8
265.14267	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37056	0.5
53.03951	0.8
55.05505	2.5
57.07080	1.1
60.04521	87.4
66.62172	0.5
67.05492	3.8
69.07070	6.7
71.08585	0.5
76.56683	0.5
79.05483	5.5
79.33910	0.6
80.26690	0.6
81.07049	37.9
83.08617	1.3
83.13269	0.5
88.23040	0.5
91.05482	3.1
92.08650	0.6
93.07032	37.2
95.08590	14.0
97.10178	1.1
105.07019	1.3
107.08591	12.0
109.10152	10.0
114.37884	0.5
121.10133	100.0
123.11691	5.1
135.11682	8.4
143.98376	0.5
149.13240	20.7
205.19498	22.0
264.23019	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0705
Annotation	7-Acetoxy-5,6-dimethoxycoumarin
Peak:m/z	Relative Intensity
55.01866	0.5
56.58187	0.3
58.46657	0.3
69.17884	0.4
71.04963	0.4
79.05457	0.6
81.07046	0.9
83.04946	0.4
90.34861	0.4
91.05465	0.7
92.08702	0.9
93.07024	0.6
104.99709	0.4
105.07019	0.9
107.08595	0.5
119.08578	0.7
153.01842	3.0
161.09529	0.6
163.03877	2.0
163.32678	0.4
167.03331	6.7
169.03325	0.4
176.04643	2.9
177.05443	1.0
191.07059	0.8
201.12691	0.5
204.04155	27.3
205.04945	17.4
206.05710	16.2
219.06499	22.4
222.05258	1.0
232.03658	8.7
250.04681	26.6
265.07019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08658	0.9
55.05493	4.7
57.07057	1.5
60.04515	68.9
67.05476	2.2
69.07050	8.0
79.05475	7.9
81.07038	43.4
83.08587	1.1
85.90912	0.8
91.05471	2.1
93.07023	38.7
95.08581	11.9
105.07039	1.8
107.08578	17.4
109.10188	9.6
121.10123	100.0
123.11659	2.5
133.07701	1.2
135.11685	7.8
149.13245	16.7
163.14784	1.6
178.84613	1.1
205.19489	25.9
258.25494	1.1
264.23203	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	263.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89470	0.7
59.95156	0.8
71.00578	0.7
75.34779	0.7
77.01448	0.9
80.69245	0.9
86.66927	0.8
101.00850	21.2
113.00837	2.1
119.01900	51.2
131.01880	27.8
137.02940	7.2
143.01875	34.9
145.03439	1.1
149.02893	4.6
155.01825	9.0
155.99200	0.8
157.03354	1.1
161.02927	100.0
173.02931	28.4
179.03963	3.3
185.02922	4.1
188.41185	0.8
191.04002	11.1
197.03009	1.3
203.02321	1.3
203.03941	10.0
221.04996	1.9
231.53529	0.9
242.59259	0.8
263.01602	1.9
263.05957	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	263.1275
Annotation	Phebarudol
Peak:m/z	Relative Intensity
50.79606	1.4
55.01859	2.6
55.05487	6.8
56.96557	1.8
67.05482	7.7
69.07050	12.9
71.04985	1.7
79.05459	10.1
81.07021	18.6
90.84473	1.6
91.05449	19.1
91.91571	1.7
93.07014	21.0
93.92006	1.9
95.04934	2.0
95.08573	15.3
96.08854	3.0
104.99229	2.2
105.07009	44.8
106.07339	4.0
107.08573	12.1
109.06495	2.9
109.10145	10.4
109.40647	2.0
115.05444	13.8
117.06979	13.9
119.08551	48.6
119.41973	1.8
120.08896	12.7
121.06505	3.3
121.10139	13.6
123.11668	3.0
128.06184	25.9
129.06969	10.1
131.08589	5.9
133.10118	14.0
134.10495	2.5
135.11711	3.6
141.06940	6.3
142.07800	12.8
143.08546	43.8
145.06480	26.9
145.10104	9.6
147.08018	16.9
147.11694	15.5
148.12035	3.6
149.13177	2.6
152.06131	2.8
153.06956	3.0
154.07771	3.4
155.04910	3.2
156.05653	23.2
157.10104	7.4
159.11632	2.3
161.09593	22.9
161.13255	7.7
163.07536	2.7
163.11125	3.8
167.08507	7.4
169.06456	10.9
170.07217	8.8
171.08025	70.5
173.05957	23.1
174.06741	3.3
177.16283	2.6
185.09560	14.7
187.07478	3.0
187.14766	2.8
188.08292	8.1
189.09068	51.1
191.06975	2.0
195.08118	3.6
198.06747	14.6
203.10664	18.9
203.17940	15.4
204.18263	8.7
213.09097	23.7
215.01984	2.1
221.19023	3.3
231.10115	100.0
245.18759	2.2
263.12656	10.3
263.16208	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	263.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89960	0.8
55.52275	0.7
55.64303	0.8
56.96564	1.2
61.05077	1.0
67.05516	1.2
69.43985	0.9
70.73186	0.7
75.93687	1.0
78.62955	0.9
79.05470	1.8
81.07042	4.8
83.10840	0.9
91.05449	2.3
93.07034	2.1
105.07050	3.5
107.08543	1.1
117.06982	1.3
119.08569	2.1
121.06503	1.1
129.06973	1.2
131.08537	1.7
134.07147	1.0
143.08537	1.7
147.11656	1.8
149.05989	1.3
159.08058	1.6
175.07140	1.1
177.05428	12.4
185.09703	1.1
187.07466	6.9
195.06497	5.3
205.08853	8.7
205.11972	53.8
227.10678	1.6
245.11760	1.7
263.12671	10.8
263.16122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05494	0.9
67.05492	5.4
77.81271	0.5
79.05473	1.9
81.06600	0.9
81.07047	16.2
89.08770	0.4
91.05425	0.7
93.07026	0.7
95.08594	89.4
99.08083	25.6
105.07024	6.8
109.06508	7.8
111.08013	0.8
113.09630	0.5
123.08055	85.4
133.06458	1.9
141.09094	100.0
141.89087	0.5
151.07533	26.7
169.07092	0.7
169.08578	26.2
187.09641	36.7
195.90286	0.5
197.89485	0.6
259.48822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2164
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05505	2.7
58.06586	2.9
60.04522	14.0
61.80818	1.2
67.05478	5.1
69.07045	5.6
76.10394	0.9
79.05055	1.2
79.05476	8.9
81.07047	12.6
83.08640	1.3
84.08114	1.7
91.05454	9.7
92.64065	1.1
93.07027	83.3
95.04947	1.5
95.08590	11.4
98.09660	5.8
105.07022	14.8
107.08583	21.4
109.10146	16.3
119.08552	14.1
121.10122	100.0
133.10100	7.7
133.65350	1.3
135.11641	4.5
144.53578	1.2
147.11658	14.5
149.13260	12.8
161.13206	2.8
203.17900	14.4
209.05984	1.1
220.20555	13.9
260.01004	1.3
262.21600	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	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05502	1.0
56.96556	0.5
57.07058	0.3
58.27427	0.2
67.05496	0.4
69.07053	1.8
70.06589	0.3
72.04507	2.5
79.05470	0.5
81.07047	1.4
83.08607	0.3
85.05271	0.5
86.06071	2.3
86.06520	0.3
87.13699	0.2
88.21637	0.2
91.05476	0.5
92.08662	0.3
93.07020	4.1
95.04974	0.3
95.08591	1.6
98.06036	1.5
105.07016	1.0
107.08593	3.0
107.35093	0.2
108.76376	0.2
109.10131	1.0
110.09757	0.3
112.07598	2.1
119.08540	0.5
121.10120	3.3
122.05958	0.2
124.07586	0.4
125.08318	0.3
133.10065	0.7
135.11667	2.7
136.07574	1.4
137.08374	0.3
138.09137	2.5
145.76106	0.2
148.07483	0.3
150.09088	1.0
151.09872	0.5
151.75833	0.2
152.10690	1.6
159.11673	0.3
162.09126	0.3
164.10670	2.2
165.11459	2.1
175.14798	0.2
176.10724	0.5
177.11407	1.8
178.12259	7.2
179.13016	1.6
180.14018	0.2
190.12167	0.4
192.13887	0.3
204.13823	3.9
206.15396	0.4
218.15350	1.8
219.16187	5.5
220.16936	5.3
262.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05502	0.5
56.04767	0.9
56.05031	18.5
57.06786	0.6
57.07065	15.7
58.06591	10.3
59.81526	0.5
60.04515	3.9
60.96492	0.4
64.33298	0.5
68.05003	0.5
69.07044	1.1
71.08630	3.8
72.20777	0.5
74.06058	14.5
85.10152	2.5
86.06029	2.2
88.07612	70.9
88.48942	0.5
91.05473	0.6
104.07138	0.9
105.07001	0.6
108.48026	0.5
118.08636	12.5
122.08122	6.8
133.10126	0.5
149.87729	0.4
157.05244	0.7
200.20096	0.5
214.21626	77.8
244.22739	3.3
262.23718	100.0
263.24088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.05501	14.0
56.96551	1.8
57.03430	3.6
59.04971	3.0
59.53203	1.5
67.05490	15.8
69.07050	11.9
71.04977	11.3
74.74847	1.9
79.05480	34.5
81.03375	3.4
81.07047	21.9
83.04960	13.2
91.05465	31.6
93.07026	32.3
94.07321	2.4
95.04951	10.7
95.08588	16.6
96.05737	3.9
97.06518	18.4
100.90395	2.1
103.05492	2.5
105.07021	24.9
107.04939	3.1
107.08588	100.0
108.05744	2.5
109.06508	22.7
109.10139	8.1
110.72409	2.3
111.08086	3.0
113.06028	3.3
119.08591	3.4
121.10098	11.7
122.10925	14.0
123.08051	4.9
123.11724	4.9
125.06020	2.4
125.09592	3.6
133.10155	4.0
135.08029	19.8
139.07620	2.8
150.10396	26.0
151.11224	2.4
167.10678	13.6
202.14369	19.1
261.20276	2.4
262.23825	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	262.2162
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
50.23291	4.7
55.05511	8.5
57.81080	5.2
58.02938	5.8
62.76151	5.9
67.05485	12.8
69.07042	24.3
79.05487	15.8
81.07030	42.8
86.06049	42.2
88.44128	5.7
91.05428	12.5
93.07019	37.7
94.06499	7.5
95.08588	41.5
96.08096	9.7
105.07008	49.4
107.08576	43.7
108.08098	7.7
109.10137	10.6
119.08558	36.2
121.10110	11.6
128.69775	8.0
133.10086	15.4
135.11682	6.9
145.10065	10.6
147.11630	15.3
150.33452	6.7
161.13257	10.6
203.17938	9.2
262.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.7
57.07070	1.0
61.19474	0.8
65.42767	0.8
67.05498	13.1
68.07350	0.8
69.07053	8.2
75.15350	0.9
75.59450	0.9
79.05494	9.4
80.86346	1.2
81.07041	30.1
83.08584	1.7
84.08131	1.2
91.05454	10.8
93.07030	28.1
95.08582	47.0
97.06535	1.2
105.07019	44.8
107.08581	31.9
109.09398	1.3
109.10147	35.1
110.09678	5.2
119.08559	27.4
121.10126	19.0
123.11691	8.7
125.01109	1.0
131.88503	1.1
133.10104	28.2
135.11665	2.3
145.10156	3.5
147.11673	41.8
161.13237	17.9
175.14803	7.9
203.17937	100.0
221.18994	18.1
244.18065	1.2
244.20587	1.7
262.18839	1.7
262.21576	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	262.2163
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
52.74665	1.2
55.01858	1.2
55.05502	11.2
56.07539	1.1
56.96539	5.5
57.07053	3.2
59.04975	2.2
60.04506	11.0
66.82559	1.3
67.05493	18.2
69.07054	18.9
70.06573	1.3
71.04983	15.8
72.08120	1.9
73.06521	2.0
76.55927	1.1
77.85213	1.2
79.05478	20.2
81.07040	68.6
83.08595	5.1
84.08109	8.6
84.21867	1.3
91.05459	19.6
92.08636	1.3
93.07024	53.7
95.04944	1.7
95.08006	1.8
95.08578	32.9
98.19232	1.2
104.99249	2.1
105.07010	35.2
107.04907	2.1
107.08575	52.7
109.06509	1.9
109.10148	30.4
110.30632	1.2
117.06952	2.1
118.07397	1.4
119.08560	34.8
121.10112	20.2
123.11685	10.0
131.08496	1.5
133.10112	22.8
135.11671	36.1
137.13213	1.4
145.10074	6.8
146.10448	1.7
147.11662	20.1
149.13220	6.5
152.14314	3.1
153.12730	30.0
161.13188	7.5
163.11189	1.4
163.14748	1.5
175.14859	1.9
177.16347	1.7
202.16769	1.5
203.17928	25.6
220.20555	11.7
221.18987	17.2
260.15280	2.8
262.18524	17.0
262.21545	100.0
281.15808	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.43721	1.7
51.09536	1.6
54.81943	1.5
55.01843	2.4
55.05509	21.7
56.05960	1.7
57.07077	2.7
67.05495	47.0
68.92946	1.8
69.07069	20.5
79.05477	78.4
81.07044	67.8
83.08594	8.2
85.06538	4.1
86.33983	1.8
91.05460	38.6
93.07028	95.4
94.50464	1.9
95.04933	4.8
95.08591	46.6
97.06516	1.8
97.10123	2.6
99.08049	2.8
105.07017	31.6
107.08576	59.1
109.06516	2.2
109.10147	14.9
111.08051	3.5
117.06982	13.1
119.08562	31.5
121.10123	44.4
123.11660	8.3
129.06943	2.6
131.08539	19.2
133.10089	19.7
135.11679	38.6
140.99176	2.2
145.10124	26.4
147.11670	18.7
148.80145	2.3
149.13251	28.9
157.10110	4.6
159.11646	17.5
161.13225	15.2
163.14760	20.0
173.13245	15.9
175.14738	3.9
175.40140	2.3
177.16339	4.6
187.14771	10.0
201.16295	4.8
215.17943	3.4
222.97533	2.4
243.21056	34.9
261.14703	2.4
261.18246	7.4
261.22089	100.0
261.26590	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	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.05496	0.4
57.07069	0.7
59.04987	3.3
61.02907	0.6
67.05478	1.4
69.03407	0.4
69.07050	2.6
69.41663	0.3
71.04964	0.8
71.55590	0.3
79.05479	6.4
81.07040	18.1
83.04958	0.6
91.05434	3.4
93.07026	17.0
95.08585	11.5
97.06511	5.8
97.10126	0.5
99.04393	0.4
105.07011	4.9
107.04945	0.8
107.08575	65.2
109.06506	6.1
111.08105	0.4
111.58180	0.4
116.88327	0.3
119.08553	1.3
121.10120	100.0
123.08027	1.6
123.11689	11.6
125.05961	3.4
125.09586	1.9
127.30663	0.4
131.08568	2.6
139.11157	49.9
149.09596	12.0
149.10716	0.7
167.10638	63.5
179.38000	0.4
185.11694	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	261.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30024	0.9
56.37077	1.0
67.05486	1.3
69.07030	1.7
79.05455	1.8
81.07029	5.0
82.93121	1.1
88.63888	1.3
91.05467	1.5
92.55484	1.3
93.07022	1.9
104.49094	1.0
105.06996	2.3
105.87314	1.3
107.08569	2.7
119.08544	5.7
119.82941	1.2
130.37749	1.3
131.08569	1.3
133.10100	1.8
145.10103	5.6
159.11707	2.6
172.55301	1.2
179.21220	1.2
201.16304	1.9
218.81413	1.1
261.18207	100.0
270.61130	1.3
275.66754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1824
Annotation	carisoprodol
Peak:m/z	Relative Intensity
50.68605	1.0
62.19306	1.1
67.05464	1.3
71.08914	1.1
91.45185	1.3
93.06995	1.5
103.79941	1.1
105.06971	1.9
133.95538	1.3
161.34935	1.4
170.20210	1.2
261.18222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39349	0.9
56.96545	2.0
69.56274	1.2
87.60018	1.1
92.09216	1.5
105.07014	1.8
107.04660	1.8
147.90202	1.4
261.18204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09410	1.0
54.81259	1.6
55.05503	3.4
56.96551	2.5
57.07053	2.7
67.05489	2.2
69.03387	1.3
69.07040	6.5
72.04504	2.6
79.05464	6.3
81.07043	10.9
83.04949	1.5
84.97939	1.7
91.05463	10.4
93.07011	9.7
95.04955	2.2
95.08578	6.1
105.07014	12.9
107.08561	6.8
109.10143	2.8
117.06973	2.5
119.08531	8.0
121.10117	2.0
123.08054	2.5
131.08513	7.1
133.10094	5.8
135.11661	1.6
145.10130	17.7
147.11717	2.6
159.11658	7.6
161.01999	1.4
161.09773	1.4
173.13196	1.6
201.16364	7.4
202.16637	1.6
219.17407	1.9
223.41989	1.4
261.12466	3.1
261.18213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	3.0
55.01869	2.7
55.05508	27.0
56.96556	3.2
57.07068	4.8
67.05177	3.6
67.05502	45.7
69.07050	20.3
71.04990	2.6
75.00334	2.3
79.05061	3.2
79.05481	62.2
81.07043	82.2
83.08607	12.6
91.05468	44.4
93.07027	100.0
95.04947	4.6
95.08591	53.9
97.06549	4.0
105.07011	39.1
107.08582	59.7
108.76377	2.4
109.06512	11.6
109.10162	23.1
111.08095	4.6
111.62655	2.3
117.07004	12.1
119.08572	30.0
121.10114	46.4
123.11704	5.3
123.99038	2.3
131.04846	2.9
131.08540	24.8
133.10100	21.1
135.11678	33.8
141.07059	2.7
145.10117	28.1
147.11656	11.3
149.13272	24.4
159.11671	15.4
161.09729	2.8
161.13182	19.4
163.14796	21.7
170.79329	3.3
173.13211	5.9
175.14877	4.6
177.16280	5.7
187.14812	4.2
201.16388	4.3
243.21095	32.9
261.18216	22.1
261.22128	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01860	3.9
55.05510	15.7
56.22986	0.6
57.03430	6.0
60.20950	0.6
61.02925	6.0
65.03926	1.0
67.05497	1.1
68.90338	0.7
69.03417	15.3
69.07058	1.1
71.04985	1.5
71.08572	0.8
71.61335	0.6
73.02894	4.8
79.05475	35.2
81.03403	4.5
81.07040	100.0
83.08607	3.5
85.02889	56.2
85.06544	0.8
87.04471	1.1
88.67688	0.6
90.57207	0.6
91.03931	1.6
91.05464	1.7
93.07025	3.0
95.04968	3.5
95.08585	1.3
97.02872	15.9
97.06522	1.6
98.97526	1.2
98.98444	19.5
99.04432	1.6
99.08084	10.1
105.07000	3.0
109.02855	4.3
117.07022	0.8
123.08059	1.5
127.03897	9.3
131.08516	0.7
133.04909	1.3
133.59383	0.7
141.03369	0.8
145.04984	7.7
159.08090	0.9
163.06056	1.4
177.09096	0.9
233.04411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08269	0.5
53.03936	5.3
55.01863	3.5
55.05504	16.3
56.13916	0.6
57.03427	5.5
61.02914	7.2
64.33523	0.7
65.03914	0.7
65.74265	0.7
67.05480	0.8
68.41856	0.7
69.03415	15.1
69.07047	2.6
71.04962	1.4
73.02897	4.9
79.05473	41.6
81.03400	5.6
81.07038	100.0
83.08595	3.6
84.08092	1.0
85.02889	56.7
87.04446	1.0
91.03935	3.1
91.05463	2.8
92.09225	0.8
93.07034	3.3
95.04935	1.1
97.02868	13.8
97.06503	2.7
98.97601	0.5
98.97810	0.8
98.98442	12.4
99.04447	1.5
99.08081	8.5
105.06997	1.2
109.02837	4.6
115.03918	1.0
116.98622	0.7
123.08041	1.1
127.03909	8.6
133.04955	1.1
137.21248	0.6
138.65706	0.6
145.04942	7.3
161.09526	0.6
161.98894	0.6
163.05981	2.5
163.26598	0.7
209.79541	0.6
225.11145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.96539	1.0
69.03407	1.5
69.07059	15.7
71.04984	1.8
72.08142	1.7
73.02901	0.9
73.47968	1.0
81.03397	1.1
83.04967	1.2
84.04491	9.8
84.08112	1.9
85.02880	6.4
86.09694	100.0
91.05421	0.9
97.02862	2.2
98.97592	3.9
98.98460	9.8
99.04399	1.4
102.05505	3.9
111.44442	0.9
112.07597	2.4
114.05514	1.4
127.03926	1.3
130.04990	5.5
130.08586	4.2
132.95758	1.0
136.07558	1.8
145.04964	0.9
148.06024	9.1
152.07114	1.2
159.77130	0.8
162.42616	0.9
166.05026	5.2
172.35522	0.9
174.34486	0.9
180.06519	1.3
187.37244	1.0
198.90121	0.9
206.49324	1.0
208.06088	1.6
226.07057	5.9
229.03218	10.5
243.04724	1.7
261.05786	57.7
261.09265	5.6
261.14331	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	261.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.81858	0.8
55.01870	1.4
55.05507	1.7
67.05494	16.0
69.03416	13.2
72.33610	0.9
79.05489	5.5
81.07069	1.9
83.04973	2.5
91.05463	9.1
93.07026	5.4
95.04955	32.8
95.08592	14.3
105.07019	12.4
107.08596	9.6
108.05740	7.9
108.31651	1.0
109.06497	1.5
117.07037	3.7
119.08578	14.2
121.06495	5.4
123.04488	1.4
123.08053	100.0
128.06189	8.9
129.06993	6.5
130.07843	1.4
131.08536	7.7
133.10153	1.6
135.08064	7.1
141.06953	10.8
142.07788	6.5
143.08540	16.0
145.06538	1.3
145.10107	4.7
146.69530	1.0
147.08055	5.2
147.41745	1.1
148.10095	1.1
153.06923	1.6
154.07799	1.9
154.84615	1.2
155.08549	2.3
156.09328	47.6
157.10190	1.5
158.10907	2.4
159.08072	5.2
159.11713	2.6
161.09659	2.1
165.07001	2.1
166.07797	3.9
169.06480	4.6
169.10126	1.7
171.08040	1.8
171.11641	24.9
172.08847	3.9
173.09550	1.3
173.13239	1.7
173.70044	1.0
174.10361	1.5
175.07513	1.5
175.11150	4.2
181.10118	2.3
184.08821	10.9
187.11209	4.2
189.12749	4.4
197.09650	2.5
199.11156	47.9
209.82378	1.0
215.10704	9.0
217.12187	15.9
238.74068	1.1
261.11212	14.3
282.84589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2008
Annotation	Phormidinine A
Peak:m/z	Relative Intensity
55.05492	3.1
56.05033	1.7
56.59830	0.5
56.96559	1.7
57.07064	1.4
60.04492	1.0
61.53220	0.6
67.05489	6.7
69.07048	6.3
70.06572	4.8
73.12556	0.7
79.05467	4.8
81.07030	12.0
82.06552	0.7
83.08594	1.0
89.00651	0.7
91.05457	6.7
93.07021	10.3
94.06554	1.4
95.04902	0.9
95.07329	1.0
95.08588	6.8
96.08080	1.0
98.97549	0.7
105.07009	21.2
107.07317	2.9
107.08573	7.5
108.08101	12.3
109.06495	0.8
109.10152	6.6
110.09650	1.2
117.06973	5.3
119.08571	10.6
120.08066	1.6
121.10123	4.4
122.09648	13.7
123.08022	0.9
126.12755	1.3
131.08543	13.0
133.10083	7.6
134.09669	1.2
135.11681	3.7
138.12677	0.8
143.08560	1.4
145.10106	27.8
147.11633	1.0
148.11159	2.9
149.13277	1.1
157.10060	0.7
159.11679	13.3
162.12758	4.0
163.11137	1.0
172.94304	0.9
173.13248	3.6
176.14352	2.9
191.17906	0.7
201.16371	15.4
218.19014	42.0
219.17447	4.4
224.14415	0.8
246.36029	0.8
246.68132	0.8
260.20047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05365	0.3
54.81766	0.4
55.05504	2.9
56.96543	2.0
57.07066	14.9
58.06577	0.9
67.05481	2.2
67.29781	0.3
69.07044	2.2
70.06202	0.7
70.06576	18.6
71.08616	4.4
72.03364	0.3
79.05467	1.5
81.07027	2.3
83.08598	1.7
85.05097	0.4
85.10173	0.6
85.96825	0.4
88.07612	24.9
91.05453	0.8
93.07036	2.9
95.04933	0.5
95.08566	1.9
97.06531	0.4
98.17474	0.3
98.40953	0.4
98.97514	0.4
102.09160	6.9
105.07024	2.7
106.08656	10.7
107.08562	1.9
109.10114	0.7
111.08039	0.8
113.09641	0.5
116.98668	0.4
119.08563	2.0
121.10133	0.7
130.67548	0.3
131.08540	0.5
133.10098	1.6
135.11646	0.6
145.10049	2.7
147.11610	0.8
159.11610	1.9
167.54643	0.4
172.94234	0.5
173.13255	0.5
201.16319	2.2
216.23196	1.7
219.17334	0.6
226.05446	0.4
242.24722	9.6
260.20209	2.5
260.25787	100.0
279.58282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0368
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
52.19561	0.2
53.03938	1.2
55.01858	1.3
57.03432	3.8
61.02625	0.5
61.02917	5.7
69.03073	0.4
69.03421	9.4
71.04977	1.8
73.02892	1.7
76.98098	0.3
81.03396	4.2
81.07039	0.4
83.01325	0.4
84.04487	0.4
85.02893	40.7
86.09696	0.6
87.04437	0.4
91.03938	1.3
92.08642	0.3
97.02875	13.9
98.03220	0.4
98.98450	100.0
99.04439	2.9
109.02893	4.3
116.99481	2.2
127.03894	8.8
130.04939	0.4
140.06985	0.5
145.04950	7.1
163.06030	0.6
225.01428	0.4
226.07091	1.2
229.03281	0.6
261.05850	3.9
261.09564	0.5
264.97302	0.3
278.11856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
54.81780	1.1
55.01857	1.3
55.05502	8.4
56.96553	3.9
57.07074	1.8
58.06587	0.9
65.19441	1.0
67.05488	26.8
69.07058	11.3
70.62079	0.7
71.04967	1.3
71.87549	0.9
79.05473	27.1
81.07034	44.1
83.04977	3.6
83.08604	3.5
85.06521	0.8
85.20648	0.8
91.05456	34.6
91.06001	1.5
92.64511	1.0
93.07023	44.7
95.04958	3.9
95.08583	32.2
97.06511	5.0
98.97588	1.3
103.05461	1.5
105.07013	58.9
107.08573	39.5
109.06507	7.3
109.10135	23.4
111.08169	0.9
115.05442	1.7
117.06995	46.0
119.08556	39.9
121.10120	23.7
123.08028	1.9
123.11619	6.5
125.09582	1.4
129.07028	3.9
129.50932	0.8
130.07755	5.7
130.51810	1.0
131.08542	100.0
133.10103	31.6
135.08022	1.4
135.11668	9.8
137.09541	1.3
143.08522	1.9
144.09311	4.1
145.10100	80.7
147.11696	5.2
149.09613	4.4
149.13196	4.7
157.10132	4.3
158.10922	1.3
159.11665	44.6
159.12953	1.9
161.13200	11.0
163.11127	10.0
165.61543	1.0
171.11690	1.5
173.13216	37.5
175.14816	6.0
191.17970	1.7
201.16351	91.5
218.19009	3.8
219.17413	32.3
242.19264	1.2
260.20029	25.0
273.96957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71865	0.5
57.07066	2.9
60.04520	11.5
63.74426	0.6
64.33507	0.7
66.81109	0.7
67.05495	1.7
69.07059	5.9
70.04908	0.6
71.08615	4.5
79.05489	1.0
81.07038	1.1
83.08614	0.9
91.05464	3.8
93.07016	2.9
94.03185	0.6
95.04937	0.8
95.08574	2.7
96.66885	0.9
105.07022	23.2
105.07742	1.0
107.08583	4.1
109.06543	1.2
109.10143	3.0
117.07013	8.4
119.08556	19.6
121.06460	0.7
121.10152	1.5
129.06956	1.5
130.07817	5.7
131.08545	21.9
131.58640	0.8
133.10126	3.8
134.09654	1.0
143.08577	3.8
144.09300	6.3
145.10115	100.0
147.11624	0.9
157.10103	5.9
159.11671	72.8
160.07770	0.8
161.13368	0.9
163.11197	1.5
173.13261	1.1
175.14824	3.5
189.06252	0.9
201.16362	18.9
215.17062	0.7
219.17493	4.6
260.20062	32.4
277.32025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05510	13.8
57.07071	1.9
58.06586	1.5
60.04507	1.8
67.05490	11.2
69.07064	20.7
71.08623	1.6
74.47105	1.6
74.93806	1.6
79.05488	11.3
81.07043	29.4
83.04942	1.6
83.08616	8.5
84.08132	2.1
91.05459	16.4
93.07029	37.6
95.04955	33.6
95.08600	31.8
97.06516	7.2
105.07028	43.6
107.04947	2.6
107.08586	37.5
108.08098	2.4
109.06519	9.1
109.10151	23.2
111.08081	3.4
117.07040	16.0
119.08572	40.7
121.06485	25.2
121.10134	39.4
123.08074	7.0
123.11726	11.3
130.07762	3.2
131.08556	27.4
133.08968	3.4
133.10132	21.5
134.09618	1.8
135.08051	24.2
135.11684	22.9
137.09583	2.1
143.08559	3.0
144.09286	2.3
145.10129	63.7
147.11673	16.5
149.09604	7.2
149.13295	9.9
157.10172	2.5
159.11678	58.5
159.12953	3.2
161.13243	13.0
163.11183	10.9
165.42113	1.8
173.13234	7.4
175.13602	16.1
175.14763	15.5
176.11937	2.2
177.12877	2.9
177.16409	10.6
183.06078	2.1
191.17981	3.7
193.47075	1.7
201.16368	52.2
218.19055	29.1
219.17435	100.0
232.20880	2.2
260.17282	2.1
260.20102	50.4
272.32751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27578	0.4
50.91070	0.5
53.03948	0.6
55.01867	0.7
55.05508	7.8
56.05029	2.6
56.96553	4.2
57.03432	1.4
57.07072	3.4
58.06593	0.8
60.83058	0.6
63.65470	0.5
65.03915	0.8
67.05497	28.8
69.07063	12.9
69.14337	0.5
70.06570	1.0
71.04964	0.6
73.30373	0.5
79.05479	27.5
81.07042	45.8
83.04974	4.4
83.08620	3.8
91.05465	39.9
92.09113	1.1
93.07028	43.1
94.06580	0.8
95.04945	4.9
95.08589	32.8
97.06513	4.8
97.10149	0.7
98.97581	1.4
103.05456	1.1
105.07017	62.4
107.04957	2.7
107.08581	37.0
109.06508	6.9
109.10149	24.4
111.08096	1.1
115.05466	1.4
116.06187	1.1
116.98653	1.4
117.07001	43.2
119.07709	1.3
119.08566	39.4
121.06448	1.1
121.10124	24.8
121.10977	1.2
122.09590	0.7
123.08047	2.9
123.11655	5.0
125.09674	0.7
128.06198	0.6
129.06987	4.6
130.07771	3.6
131.08546	100.0
132.45052	0.6
133.10114	34.9
135.08057	1.5
135.11664	10.5
137.09631	2.3
143.08530	4.4
143.81175	0.6
144.09329	2.9
145.10115	82.0
147.11687	8.0
149.09641	3.9
149.13266	3.4
157.10126	3.1
158.10881	1.4
159.10353	1.4
159.11673	42.5
160.12500	0.9
161.09645	0.7
161.13246	9.3
163.11162	8.1
171.11650	1.4
172.12415	1.0
173.13226	42.1
175.14812	4.9
177.16336	0.9
191.17899	1.5
199.14856	0.9
201.16367	94.4
218.18993	3.7
219.17427	33.9
242.18945	1.1
260.20050	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23839	1.5
56.96542	2.4
57.07056	6.5
58.06574	1.8
67.05452	2.6
71.08577	2.2
72.08143	26.0
73.32504	1.7
79.05460	1.9
81.07039	2.6
88.07604	3.1
90.09171	15.5
91.05456	2.1
93.07029	4.0
95.04946	2.4
105.07047	6.1
114.36855	1.9
143.08488	3.1
145.10115	3.4
157.10114	2.1
179.69633	1.9
198.32565	1.8
258.27875	45.4
259.16629	100.0
259.28214	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	259.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.9
60.47249	0.9
119.08576	0.9
190.83698	0.9
191.66129	0.9
259.16638	100.0
272.54895	1.1
273.08679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64194	0.9
64.19059	1.1
65.44391	1.2
68.31343	1.0
72.86208	0.9
74.97993	1.0
98.03931	1.1
259.16638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05490	20.7
57.07058	5.6
61.96671	4.1
66.37793	4.2
67.05489	28.6
69.07056	62.2
71.04985	41.9
79.05455	11.7
81.07033	46.9
83.04955	7.3
83.08591	9.0
84.44207	4.3
85.06511	25.4
87.55738	4.6
89.40216	4.5
89.53355	4.8
91.05447	28.9
93.07017	36.9
93.55389	4.9
95.08570	44.3
102.14243	4.5
104.92707	5.1
105.06996	54.1
107.08570	51.6
109.06490	19.4
109.10128	34.2
111.08070	32.0
117.06984	19.1
119.08556	100.0
121.10124	28.5
123.11682	23.8
129.06944	7.0
130.07721	5.6
131.08531	33.6
133.10110	56.7
135.08044	31.3
135.11601	6.6
142.07780	5.3
143.08505	18.8
145.10135	76.1
147.11674	42.8
157.10141	20.8
159.11665	56.4
161.09474	6.2
161.13232	76.4
171.11610	22.3
173.13231	9.2
175.11087	6.4
175.14764	97.1
185.13167	19.0
201.16357	28.1
229.15942	5.1
239.45248	4.8
241.19508	5.9
259.20541	56.2
259.24179	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	259.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53129	0.5
51.62714	0.5
53.03937	4.6
53.22770	0.6
55.01598	0.8
55.01864	24.7
55.05492	3.3
56.96546	4.6
67.05493	11.5
68.02303	0.7
69.07037	1.6
71.04968	0.9
77.03901	0.9
78.11148	0.6
79.05466	3.9
81.03396	0.9
81.07046	6.4
83.04972	1.2
91.05467	6.2
93.07012	8.5
95.04945	20.2
95.08594	5.8
97.06477	0.8
105.03374	100.0
105.04494	2.7
105.07001	6.1
107.08572	4.6
109.06495	3.0
109.10143	7.4
111.04382	0.7
116.98619	0.7
117.07014	2.7
119.08521	6.3
121.06425	0.7
121.10129	1.4
131.08539	2.9
132.08907	0.8
133.10118	1.0
135.11557	0.7
137.09593	16.4
141.06975	0.8
142.07758	1.0
143.08527	1.3
145.10056	2.8
147.11700	1.2
157.10135	2.7
159.11609	1.2
159.72571	0.7
163.14688	0.7
168.09451	0.6
224.13481	1.2
237.21725	0.9
259.13080	8.7
259.16592	2.5
271.70016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72134	0.3
57.06816	0.5
57.07071	9.4
58.06588	1.7
63.28682	0.3
70.06567	0.9
71.08622	4.4
71.84729	0.3
72.08142	33.4
74.19888	0.4
75.13511	0.4
85.10161	0.7
88.07603	2.1
90.09179	24.9
117.29562	0.4
139.83492	0.4
143.08504	0.4
153.74892	0.4
195.23979	0.5
214.25264	1.8
227.69904	0.5
258.15543	1.6
258.27881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61398	0.4
53.00294	0.7
55.05497	1.2
57.07066	26.4
58.06578	3.3
59.74862	0.5
61.40506	0.5
62.06077	12.6
71.08617	9.9
77.86006	0.6
85.10157	4.7
98.97522	0.7
105.07014	0.7
131.18718	0.6
225.12677	0.6
238.84563	0.6
240.26776	9.1
258.27863	100.0
259.16623	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	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96318	0.6
56.96557	10.6
57.16670	0.3
64.13912	0.3
71.95233	1.0
92.09276	0.8
92.64538	0.5
98.97562	100.0
100.51347	0.4
116.98600	69.9
119.01941	0.5
126.00648	0.4
134.99640	28.8
137.19708	0.5
140.00140	0.6
153.00714	3.8
158.01326	0.6
234.99828	0.8
235.15797	0.5
240.98701	0.6
258.99689	17.2
277.00760	41.1
278.01007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
54.00687	0.6
55.01868	1.4
55.05529	0.6
56.96545	1.4
57.03424	1.2
65.03919	3.1
67.05476	0.9
68.99770	4.3
69.03400	3.3
73.02899	2.5
73.54524	0.5
81.07020	0.8
93.07013	0.8
97.02868	1.4
98.97584	0.7
105.07011	1.0
107.04920	0.9
109.02924	0.7
115.05408	1.4
116.98606	0.8
117.28318	0.7
117.63815	0.7
121.02844	25.3
123.04395	7.0
128.06248	1.2
129.06963	5.0
131.04791	0.6
137.02356	1.3
139.05367	0.8
141.07019	0.8
145.06506	1.1
147.04404	2.8
149.02319	100.0
150.03084	3.1
153.01807	3.0
157.06468	13.1
160.05219	1.0
161.05966	0.8
163.03873	3.0
163.22891	0.7
167.03297	1.4
167.04849	1.0
175.07549	1.4
180.46336	0.7
185.05928	20.5
189.05478	0.7
203.07065	1.1
209.01471	0.8
213.05438	30.9
231.06480	60.2
241.04919	8.8
259.05963	32.3
260.82556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32434	3.2
53.00296	4.5
53.03941	3.6
55.05502	25.4
56.96553	6.8
60.29155	3.2
64.96772	3.0
65.03928	3.6
67.05495	39.8
69.07044	5.8
71.04984	48.1
79.05490	38.8
80.33010	3.4
80.75182	3.4
81.03391	7.3
81.07046	43.8
83.04975	9.1
91.05470	41.1
93.07021	32.6
95.04948	100.0
95.08608	34.0
97.06483	6.4
98.97563	4.1
99.04454	7.7
105.07023	32.1
107.08581	16.2
109.06512	19.9
109.10165	5.4
117.06997	4.6
119.08585	18.8
123.08047	15.3
125.05972	5.0
131.08510	6.0
133.10130	6.1
135.11699	4.6
137.09581	43.2
141.75334	3.6
145.10098	5.7
147.11653	7.0
157.10129	5.4
165.09093	3.9
179.78758	3.7
258.24435	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	258.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92015	1.5
52.23788	1.3
54.81467	1.3
55.43885	1.3
56.96556	20.8
60.04506	1.7
79.05462	2.0
85.02850	1.6
89.03904	9.9
91.05455	8.4
93.87492	1.8
97.02851	1.8
98.97549	2.9
100.11229	2.9
103.05448	29.8
105.07006	9.7
107.04935	93.4
107.08591	2.1
108.42261	1.6
115.05431	2.2
117.03342	12.3
121.06461	5.9
124.99018	1.8
131.04898	57.4
133.06467	43.0
135.04399	23.9
141.02110	1.9
143.00159	13.7
145.01863	1.8
145.02844	14.1
149.05952	2.9
159.03262	2.0
159.04422	7.7
161.01233	14.6
161.05933	50.9
163.03864	100.0
169.01616	2.4
170.99596	3.0
171.05482	3.2
177.05424	18.2
177.09091	2.3
185.01230	2.4
187.02649	2.6
187.04082	2.5
189.00673	3.7
195.06523	29.4
203.02170	3.9
205.04973	21.6
215.03922	3.0
223.05951	9.9
224.04303	2.1
226.54697	2.1
231.01683	15.4
249.02727	23.2
258.10049	2.2
268.03784	1.8
272.04370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.00303	2.3
53.03942	2.4
55.01862	2.9
55.05497	12.9
56.96548	19.2
57.07061	11.7
62.98247	29.9
63.87858	2.6
65.03928	2.8
67.05492	38.9
67.86010	2.6
69.07058	22.7
70.38630	2.3
71.04982	15.2
73.53156	2.3
79.05482	29.3
79.55609	2.3
81.07037	77.4
81.93497	3.1
82.07359	3.4
83.08610	2.9
85.02909	3.9
85.06544	10.8
91.05459	29.5
93.07024	41.5
95.04956	15.7
95.08583	31.1
97.06511	3.5
98.97580	4.1
99.04429	11.5
105.03384	66.7
105.07008	39.0
106.07360	3.2
107.08591	24.4
109.10149	12.7
110.10486	3.0
115.05454	3.5
117.06987	82.7
119.08591	23.6
120.08876	3.8
121.10153	6.6
128.06233	10.7
129.06990	64.2
130.07764	3.1
131.08546	100.0
133.10124	27.8
134.99673	3.7
135.11697	6.8
139.01825	5.0
141.06970	33.6
142.07787	4.9
143.08556	29.0
145.10081	20.4
147.07986	3.4
147.11674	14.5
154.07747	12.2
155.08537	43.5
157.10114	20.2
159.11670	85.2
161.13210	2.8
162.03294	2.9
167.08591	3.9
168.09325	5.5
169.10104	33.4
171.11685	46.4
173.13223	57.3
181.10144	4.9
183.11667	73.6
185.13206	12.3
197.13205	33.6
199.14662	4.0
211.14848	13.8
213.16400	3.1
221.15233	3.5
239.17879	91.0
257.11169	55.7
257.18985	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91488	2.5
53.00308	3.5
54.81292	2.8
55.01861	4.8
55.05505	18.7
55.55632	2.9
56.96558	5.5
57.03425	4.2
57.07068	3.9
59.04994	3.8
67.05492	49.6
69.03433	5.2
69.07063	26.7
71.04983	71.1
77.65561	2.9
79.05479	43.1
81.07047	75.9
82.07377	5.2
82.85812	2.6
83.04988	5.0
85.06535	13.8
91.05466	41.5
93.07041	48.6
94.07346	4.5
95.04930	5.2
95.08582	38.5
96.08939	5.5
97.06518	7.0
98.97543	3.0
99.08099	5.1
99.98431	2.9
105.07022	66.8
106.07381	5.7
107.08587	100.0
108.08926	3.1
109.06507	16.6
109.10142	30.5
115.05440	4.8
116.98589	4.5
117.07011	86.3
119.08574	39.1
120.08874	4.0
121.06489	4.2
121.10128	12.4
121.20755	2.9
123.08077	6.2
123.11684	15.1
125.09612	6.8
128.02899	2.7
128.06223	5.3
129.06996	53.5
131.08563	86.1
133.10110	51.1
134.99673	5.3
135.08113	3.1
135.11682	57.4
137.09642	14.3
139.01794	3.7
141.06963	32.1
142.07744	5.2
143.08556	24.1
145.10118	30.6
146.10474	5.0
147.11679	7.4
151.11176	4.8
154.07751	5.3
155.08553	40.3
157.10112	21.7
159.11682	73.4
161.13275	4.8
163.11116	21.5
164.11502	23.5
165.12602	3.4
168.09375	4.4
169.10149	32.4
171.11664	38.3
173.13200	44.1
175.11226	3.7
175.14833	41.0
181.12158	3.4
183.11685	58.6
185.13190	11.3
187.11275	4.5
193.15854	62.9
196.12447	3.1
197.13252	37.6
211.14842	11.7
213.16362	13.6
221.15334	41.9
222.15701	15.1
239.15923	6.1
239.18185	61.6
257.19012	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	257.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23324	1.6
53.23262	1.5
57.35129	1.6
60.23700	1.6
64.43668	1.6
67.05478	3.7
71.63007	1.7
81.07025	2.3
91.05404	2.4
103.05437	11.3
103.95398	1.7
110.36148	1.6
121.10130	2.0
131.04926	36.3
133.63313	2.2
228.30316	2.0
257.15094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46985	1.4
67.05467	2.4
69.07050	2.3
75.53605	1.5
81.07055	1.9
82.17431	1.6
83.08596	2.0
91.05437	2.9
93.07024	7.9
94.07346	1.7
95.08566	2.4
105.07014	3.9
119.08551	3.3
123.78886	1.9
133.10049	2.0
147.11719	2.1
191.35748	1.7
205.00609	2.2
257.15073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46985	1.4
67.05467	2.4
69.07050	2.3
75.53605	1.5
81.07055	1.9
82.17431	1.6
83.08596	2.0
91.05437	2.9
93.07024	7.9
94.07346	1.7
95.08566	2.4
105.07014	3.9
119.08551	3.3
123.78886	1.9
133.10049	2.0
147.11719	2.1
191.35748	1.7
205.00609	2.2
257.15073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.05510	1.6
56.96556	2.0
57.06820	1.6
57.07072	30.9
58.07394	4.5
69.07039	2.3
71.04974	1.6
71.80238	1.1
78.39277	1.0
79.05483	12.6
81.07050	8.2
85.06549	12.7
91.05450	6.8
92.05797	2.2
93.07027	45.3
94.07359	11.6
95.04939	1.6
95.08591	2.6
105.07021	13.5
106.07339	4.6
107.08568	2.4
109.10104	1.1
116.87104	1.4
117.06984	2.4
119.08577	11.1
119.77414	1.2
120.08845	4.6
121.00766	1.2
121.10124	100.0
122.10466	41.0
123.08064	1.7
143.08572	1.3
148.98143	1.2
222.19307	1.1
256.26288	1.5
257.12256	1.8
257.15060	56.2
257.19128	1.6
258.93304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87815	0.5
55.01855	4.6
55.05496	2.9
57.03424	0.8
57.07068	1.1
59.04987	1.5
67.05495	9.1
69.03397	1.2
69.07047	5.2
71.04976	5.7
73.06322	0.6
79.05472	5.9
81.03400	12.4
81.07043	8.5
83.04961	5.0
83.08585	0.8
85.06512	2.9
91.05456	5.2
92.48382	0.8
93.07024	13.8
95.04942	40.5
95.08582	15.7
97.06489	4.4
98.97534	0.7
99.04410	1.3
100.76453	0.6
105.07010	11.6
107.08584	21.8
107.09308	1.3
109.06503	4.1
109.10135	11.4
111.04390	0.8
111.08067	1.6
117.06977	2.7
119.08559	13.9
121.06481	14.1
121.10094	6.5
123.08030	5.5
123.11637	1.1
125.09635	6.6
133.10126	6.6
133.17892	0.8
135.07991	3.4
135.11682	11.5
137.09598	71.9
139.07504	5.7
143.08475	0.8
145.10118	6.2
147.11664	1.2
151.11182	0.9
151.14792	0.8
153.12668	0.9
161.09566	4.4
161.13216	3.1
163.11145	24.9
165.09099	0.8
165.12697	1.5
169.12155	3.1
175.14795	3.9
179.14301	12.7
181.12201	100.0
195.13753	0.9
203.14297	2.8
221.15302	11.7
223.96339	0.7
226.53333	0.7
230.81720	0.8
239.16371	24.1
250.46146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	3.3
55.05505	20.0
56.13001	1.6
56.96549	2.2
57.03424	2.6
57.07065	8.6
59.04992	2.3
62.05466	1.7
67.05501	26.6
69.07059	31.9
71.04982	12.2
79.05477	41.2
81.03411	2.4
81.07043	95.1
83.04972	21.5
83.08622	4.1
85.02865	2.0
85.06528	4.3
91.05459	25.2
93.07027	100.0
95.04951	7.6
95.08588	89.8
97.06525	10.7
98.97552	2.7
99.04488	7.9
105.07023	45.5
107.08585	75.0
109.06519	8.4
109.10149	20.2
111.04437	21.8
111.08072	10.7
117.07021	3.5
119.08566	93.4
121.06502	3.9
121.10127	98.3
123.08086	14.3
123.11689	10.9
127.07490	2.1
129.06990	2.7
131.08572	8.2
133.10117	61.8
133.11040	3.4
135.08125	2.9
135.11679	73.1
137.05969	2.9
137.09589	4.2
139.07526	10.1
139.11172	14.6
143.08571	4.6
145.10115	26.9
147.08075	4.2
147.11676	15.6
151.07562	2.1
151.11159	3.7
157.10112	2.9
158.26129	2.5
159.11792	3.5
161.09634	8.1
161.13225	16.5
163.11159	23.6
165.09114	7.4
175.11296	3.3
175.14799	100.0
177.16348	16.5
179.10649	3.0
179.14175	2.0
181.12204	2.7
185.13237	3.7
193.15910	13.5
203.14276	15.5
221.11868	2.7
221.15340	55.2
239.12503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01876	1.8
55.05502	6.4
64.32979	1.0
65.70108	0.9
67.05487	19.6
69.03421	5.7
69.07051	5.5
71.04978	8.2
77.03911	1.4
79.05475	84.5
81.07047	17.3
83.04961	7.2
83.08606	1.2
91.05457	17.7
93.07017	7.4
95.04951	17.9
95.08613	8.1
97.06517	5.0
99.04430	18.5
105.04539	1.5
105.07010	30.1
107.04946	36.4
107.08586	9.1
109.06505	7.1
109.09393	2.0
109.10143	57.4
111.04394	2.1
111.08083	2.3
117.07020	6.7
119.08562	33.8
121.06487	5.8
123.04408	1.2
123.08014	4.7
125.05963	1.9
128.06219	9.7
129.06966	8.1
131.08588	1.6
133.06516	1.6
133.10109	22.1
135.11641	1.1
137.05963	1.4
137.09607	49.0
143.07111	1.1
143.07462	1.5
143.08539	18.3
145.06497	1.4
145.10143	4.4
146.07248	5.1
147.08012	27.3
151.11136	1.0
161.09592	100.0
162.70479	1.2
163.11200	1.2
165.09079	47.7
174.06757	2.5
179.10625	10.4
189.09100	7.8
197.11742	2.5
207.10158	20.3
225.11147	6.3
239.16411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01846	2.0
57.03432	7.9
63.51304	0.5
69.03416	4.0
69.22485	0.5
70.25217	0.5
70.51904	0.4
75.04452	1.0
75.20707	0.4
77.94742	0.5
79.05479	6.8
81.07018	0.8
83.04974	0.5
91.05455	2.2
92.09315	0.6
93.07027	1.1
94.04143	0.6
95.04954	5.7
95.08607	0.7
99.04435	1.1
103.05478	4.0
105.02689	1.0
105.03374	23.2
105.04465	0.6
105.07016	40.1
107.04933	3.6
107.08540	0.5
109.06515	1.2
117.05490	0.9
117.06998	1.0
122.03607	4.2
123.04401	0.9
124.05145	0.8
128.06230	0.9
133.06474	38.3
135.04359	0.8
135.08109	0.5
137.05960	100.0
143.08496	0.5
145.06493	0.6
147.08073	0.7
147.11641	0.5
151.07535	0.7
162.06706	0.6
163.07523	2.6
164.50357	0.5
165.09052	13.4
175.07515	2.6
181.08553	1.1
183.10204	3.8
203.10611	0.8
221.11761	1.2
257.13840	0.9
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
52.46307	0.4
52.69098	0.5
53.03933	0.7
55.01856	2.3
55.05494	0.6
56.96572	0.8
57.03434	7.9
69.03442	0.5
75.04462	1.2
79.05466	5.2
80.72670	0.6
81.07033	1.3
91.05468	3.6
93.07019	1.1
95.04956	1.2
96.02316	0.6
97.06519	0.8
98.97553	1.0
99.04433	0.7
103.05444	3.6
105.07015	41.2
107.04938	4.3
107.08605	0.7
109.06512	1.4
115.05485	1.3
117.06978	0.8
119.08566	0.6
121.06485	0.8
121.10191	0.7
122.03603	5.6
127.58113	0.5
128.98602	0.8
133.06471	44.7
133.10072	0.6
135.07993	0.9
136.05133	0.6
137.05959	100.0
143.08514	0.6
144.28568	0.6
145.06459	0.6
147.08012	0.6
150.96994	0.6
151.07564	1.0
161.09579	0.6
163.07507	3.4
165.09067	14.5
175.07562	2.8
183.10141	4.3
203.10776	0.8
221.11710	1.2
235.41702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
53.22997	0.5
54.82447	0.7
55.05503	8.2
56.05822	0.5
56.96553	1.2
57.03424	3.2
57.07067	4.6
62.62864	0.6
67.05491	10.6
69.06712	0.9
69.07053	15.3
71.04969	3.0
72.81798	0.5
79.05470	10.0
81.07038	27.7
83.04964	1.1
83.08598	6.2
85.02884	0.8
85.06530	1.5
91.05460	14.3
92.05809	0.6
93.07023	25.7
95.04939	2.4
95.08582	37.6
96.08916	0.7
97.10121	0.8
99.04408	1.3
103.09470	0.6
105.07010	73.3
106.07314	1.4
107.08576	44.5
108.08891	0.9
109.06493	2.7
109.10146	22.6
113.09602	0.6
117.06960	0.9
119.08556	44.0
120.59216	0.7
121.10124	24.7
122.10445	3.6
123.08067	1.0
123.11660	8.0
125.09663	0.8
131.08534	4.4
133.10104	48.1
135.08003	0.8
135.11650	12.4
137.09583	7.0
143.08562	1.1
145.10100	4.2
146.10423	0.7
147.07991	0.9
147.11662	51.5
148.12149	0.9
149.13240	0.8
151.11125	1.4
157.10039	0.8
159.11630	1.5
160.12378	1.1
161.09608	5.4
161.13228	18.6
163.11159	5.1
163.14793	10.1
165.12662	1.5
175.14784	13.2
177.16338	1.1
181.23647	0.6
193.15883	1.2
195.41693	0.6
203.14297	4.1
203.17920	100.0
221.15376	13.4
221.18878	9.8
238.18506	0.6
239.16280	1.1
252.58908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79676	0.5
55.01868	1.2
57.03429	6.8
57.72431	0.4
75.04454	1.0
76.04935	0.5
77.03922	0.4
79.05478	5.5
81.78934	0.5
83.68596	0.5
91.05453	1.0
94.04182	0.6
95.04949	0.6
103.05450	4.0
105.07015	42.4
107.04931	3.6
109.06488	0.9
115.05457	1.1
117.07047	0.5
122.03629	4.7
127.78644	0.5
133.06468	37.7
136.14742	0.5
137.05956	100.0
151.94305	0.5
163.07501	3.2
163.95576	0.5
165.09077	13.1
175.07500	2.5
177.09212	0.8
183.10152	3.2
188.03647	0.6
195.81480	0.5
203.10568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82384	1.0
55.05505	6.3
57.06816	1.2
57.07070	21.0
64.36132	0.8
67.05493	17.5
69.07057	15.4
71.04983	7.6
79.05126	0.8
79.05478	14.9
81.07038	66.5
83.08607	2.1
85.06525	7.1
91.05461	9.9
93.07027	61.5
94.07365	1.3
95.04914	1.1
95.08585	39.4
97.06483	0.9
97.10141	2.2
99.08049	5.3
105.07016	22.3
105.07667	1.7
107.08578	100.0
108.08875	1.5
109.06466	1.9
109.10143	35.4
111.08047	1.0
111.11620	0.9
119.08562	23.7
121.10125	54.6
122.10471	1.9
123.08077	1.2
123.11692	13.9
133.10117	13.2
135.11670	18.9
137.13229	9.5
139.11119	1.5
147.11687	11.7
149.13242	48.7
161.13211	4.1
175.14792	3.4
193.19537	2.2
203.17924	33.2
220.17851	1.9
221.18982	19.5
256.13950	0.9
256.26285	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	256.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
57.07060	4.3
59.04984	1.6
60.85134	0.8
67.05489	15.8
69.03429	1.0
69.07057	23.6
71.04973	9.9
79.05479	25.9
81.07042	54.4
83.04963	4.7
83.08609	8.4
85.06525	10.4
85.50062	0.9
85.84942	0.7
91.05463	23.8
93.07025	47.9
95.04953	1.2
95.08588	55.4
97.06531	2.0
99.04417	3.6
99.08067	1.7
101.05988	4.0
105.07014	89.5
107.08578	100.0
109.06509	8.9
109.10143	40.1
110.33248	0.8
111.08010	1.4
117.07009	1.7
119.08561	59.0
121.10120	32.4
123.08063	3.5
123.11681	12.7
125.06033	1.2
127.11199	1.3
128.06223	1.1
131.08524	1.9
133.10107	38.4
135.08060	2.2
135.11658	12.1
137.09618	1.8
139.11215	2.1
143.08542	5.5
145.10118	4.5
147.08029	2.0
147.11673	70.4
149.09662	1.4
149.13226	3.4
151.11157	6.0
151.14819	1.7
159.11668	4.7
161.09593	12.6
161.13239	41.5
163.14790	37.7
165.08974	1.0
165.12747	1.7
175.14783	18.9
177.16353	1.1
185.13269	2.0
193.15868	8.9
203.14296	7.4
203.17918	64.7
210.31311	1.0
221.15343	29.6
221.18904	20.1
238.21671	5.2
239.16394	7.7
239.67308	0.9
256.26373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.1
53.03942	2.4
55.01856	3.9
55.05503	18.7
56.96557	10.3
57.07063	1.8
59.04986	4.9
67.05492	23.7
69.03378	1.4
69.07059	29.9
71.04985	2.4
79.05477	16.2
81.07041	55.8
83.04925	2.0
83.08601	7.6
85.06493	1.7
88.05061	1.1
91.05464	28.1
93.07025	100.0
95.04947	7.4
95.08593	30.3
97.10144	2.0
105.04439	1.5
105.07017	39.6
107.08582	36.1
109.06494	2.3
109.09414	1.1
109.10143	29.6
111.08066	15.6
119.08558	33.3
121.10117	13.3
123.08028	2.3
123.11755	7.7
123.12479	1.1
131.08521	1.3
133.10088	18.9
134.10457	1.3
135.11679	21.1
137.09654	1.1
145.10074	1.9
147.08087	1.5
147.11671	22.4
149.13260	1.8
159.03165	1.2
161.09605	4.2
161.13193	9.6
163.11172	7.6
175.14813	5.7
180.29079	1.3
186.13887	1.1
203.14328	2.3
203.17929	9.5
221.15338	8.6
221.18939	2.7
239.16408	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.8
54.81809	1.6
55.05508	8.4
56.96561	2.2
57.07065	3.2
59.04984	3.2
60.54475	1.7
67.05495	6.8
69.03413	3.4
69.07069	13.2
69.66098	1.5
71.04610	2.3
71.04979	55.0
77.28613	1.4
78.76579	1.4
79.05481	9.0
81.07040	32.5
82.07380	2.4
83.08622	1.7
91.05457	17.9
92.05785	1.8
92.09303	2.3
93.07024	62.7
94.07359	3.6
95.04945	10.5
95.08595	15.3
96.08929	2.6
97.06491	6.3
97.10131	1.4
102.36903	1.4
105.07012	31.1
106.07298	2.6
107.08580	24.9
108.08923	8.4
109.06527	8.6
109.10141	17.6
109.34405	1.9
110.10529	1.8
111.08050	16.7
117.07018	2.0
119.08573	17.4
121.10107	11.8
122.10465	2.1
123.08045	3.7
123.11727	11.5
131.08546	2.7
133.10106	54.2
134.10439	2.7
135.08046	4.0
135.11656	17.4
136.12068	2.5
137.09604	3.0
145.10162	12.8
146.10422	2.3
147.11679	6.9
149.09621	2.4
151.11163	100.0
155.08475	2.0
157.10100	2.2
159.11739	2.2
160.12051	2.4
161.09525	2.2
161.13249	13.5
163.11119	12.8
169.12219	24.7
175.14748	3.5
179.14371	2.8
203.14293	11.1
203.17886	2.5
205.15898	6.4
220.14107	1.7
220.17834	2.6
221.15367	17.4
238.18816	3.8
239.16388	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	256.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01862	0.7
55.05492	2.0
56.96555	0.3
57.07058	0.6
60.07792	0.4
66.34778	0.3
67.05484	2.5
68.58160	0.4
69.03406	2.2
69.07043	2.2
71.04980	4.6
79.05479	5.5
81.07037	5.1
82.07384	0.8
83.04970	0.8
85.06496	0.6
91.05454	4.5
92.05788	0.5
92.08849	0.6
93.07027	16.4
95.04950	5.2
95.08588	2.7
97.06518	0.7
98.97536	0.5
99.04426	1.8
103.05421	0.6
105.07018	10.7
106.07355	0.6
107.04922	0.4
107.08591	13.6
108.08936	0.5
109.06497	2.0
109.10134	2.4
116.98602	0.4
117.07007	4.3
119.08582	5.6
120.08882	1.4
121.06488	2.1
121.10139	4.8
122.10449	0.5
130.07784	4.0
131.08516	0.7
132.08830	0.6
133.10109	3.7
134.10449	1.7
135.11673	8.8
143.08549	2.0
145.10110	33.0
146.10468	0.8
147.10555	0.5
147.11658	0.6
151.11159	1.6
159.11671	0.8
161.09570	1.6
161.13283	0.7
163.11159	100.0
173.13303	0.4
175.14857	0.4
179.14404	0.4
185.13220	0.4
203.14275	2.3
220.17679	1.4
221.15323	12.7
238.18616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01868	2.3
55.05506	15.9
56.96551	8.4
57.03417	1.9
57.07060	9.9
57.17125	1.6
58.07402	1.6
59.04996	2.2
62.46642	1.5
67.05494	15.4
69.03417	3.1
69.07054	11.5
71.04977	15.7
79.05473	10.9
80.05824	2.5
81.07042	35.4
82.07375	9.4
83.04972	21.0
85.02884	4.6
85.06525	10.8
88.91872	2.0
91.05481	18.3
92.05802	3.4
93.07026	37.9
94.07346	8.9
95.04965	8.8
95.08585	27.0
96.08941	3.4
97.06502	7.4
99.04442	3.1
99.08072	3.9
105.07014	36.4
106.07320	4.0
107.04998	2.2
107.08591	35.9
108.08936	8.8
109.06509	8.9
109.10164	13.0
110.10449	2.0
111.08073	2.4
117.07005	4.4
119.08558	33.8
120.08920	8.2
121.06472	3.0
121.10151	18.2
122.10504	2.4
123.08076	3.5
123.11690	4.3
131.08531	9.8
132.95836	3.1
133.10147	22.6
134.10461	3.5
135.08086	1.9
135.11691	18.4
136.08394	3.0
136.11989	3.4
137.05997	8.6
137.09622	3.1
139.07451	1.7
143.08559	2.6
145.10121	14.5
146.10400	2.6
147.08069	2.1
147.11674	18.1
149.09583	2.0
150.96880	9.5
151.11169	11.1
153.09109	2.8
157.10092	2.3
159.11685	3.0
160.11993	3.6
161.09668	2.5
161.13297	4.1
163.11217	8.3
175.11160	100.0
175.14709	12.8
176.15195	2.3
179.10669	8.6
191.97128	2.0
192.14613	1.8
193.15860	10.5
201.16319	2.1
203.14240	3.1
220.17772	3.3
221.11725	60.0
221.15253	13.5
238.18793	7.7
239.12680	19.3
239.16470	4.2
256.15430	11.1
256.20511	3.7
256.26398	2.0
274.80249	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06093	0.3
55.01863	0.8
55.05497	2.2
57.07050	0.4
62.86481	0.3
67.05484	2.7
69.03400	2.1
69.07050	1.8
71.04958	2.1
72.00114	0.3
72.46845	0.3
76.72171	0.3
79.05466	4.2
81.07037	3.5
83.04958	0.4
91.05473	4.3
92.09332	0.3
93.07024	19.0
95.04951	4.6
95.08587	3.1
96.08911	0.4
99.04398	0.3
105.07019	9.9
107.04937	0.6
107.08584	15.8
109.06522	0.6
109.10134	1.3
111.15079	0.3
117.07022	4.5
119.08555	6.8
120.08950	0.4
121.06500	0.7
121.10130	6.3
123.07998	0.5
123.11694	0.5
130.07773	3.2
131.08569	0.7
133.10106	3.7
134.10425	0.6
135.08014	1.5
135.11676	9.0
143.08542	1.7
145.10109	32.8
146.10475	2.6
147.08052	0.4
151.11166	0.6
157.10161	0.4
159.11678	0.6
160.12027	0.5
161.09578	1.4
161.13206	1.3
163.11154	100.0
175.14706	0.4
189.16405	1.4
190.16704	1.7
202.16733	0.8
203.14291	2.0
219.17514	0.4
220.17690	0.7
221.15340	13.9
234.29120	0.4
239.16440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03907	4.2
53.64136	4.6
55.05505	55.1
56.96544	10.8
57.03418	16.8
57.07078	10.2
63.40309	4.1
64.90283	3.7
65.10506	3.8
67.05495	30.3
69.03416	22.7
69.07050	43.8
71.04977	33.8
73.76109	4.0
79.05473	28.2
81.07028	50.4
83.04976	35.5
83.08621	25.3
85.02893	53.9
85.06559	7.1
91.05461	27.7
93.07014	65.0
95.04942	11.4
95.08591	91.5
97.02887	8.1
97.06498	18.0
97.10162	5.0
98.27558	4.8
98.97572	50.8
105.07008	68.0
107.04951	5.3
107.08571	74.9
109.10191	32.3
111.04431	8.2
113.06033	5.7
116.98626	36.5
117.06982	10.0
119.08547	49.4
121.06477	19.7
121.10103	43.4
123.08119	4.9
123.11713	6.7
127.03919	9.2
128.98630	5.4
131.08572	29.7
133.10114	25.0
134.99660	10.0
135.11693	36.5
145.10098	94.3
147.11697	22.1
149.09651	8.5
149.13257	5.8
150.96913	7.5
151.11165	6.5
152.70619	5.0
155.03397	7.2
159.11679	100.0
161.13248	21.0
163.11176	28.9
163.14781	6.7
170.05762	19.4
173.07062	6.2
177.00739	27.8
177.12679	10.0
189.00700	4.6
189.83551	4.7
191.17932	21.0
201.12704	5.6
201.16449	32.7
219.13924	4.9
219.17406	67.6
237.02800	8.9
237.18523	28.4
255.08250	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	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23734	1.1
53.03938	1.6
54.81579	1.4
55.01865	18.3
56.24863	1.1
57.03430	45.1
59.04992	14.2
60.54189	1.1
61.02915	12.2
61.18227	1.1
69.03416	17.2
71.01344	16.0
71.04967	15.3
73.02892	17.9
75.04446	2.0
81.03383	7.9
83.01325	7.3
85.02891	100.0
87.00718	1.8
87.04453	22.5
89.02367	8.8
91.03930	3.2
91.60330	1.2
97.02872	23.5
99.04431	3.0
101.02357	47.2
101.06071	1.4
103.03920	6.0
103.43328	1.2
109.02853	8.3
111.00768	5.5
113.02347	2.9
115.03145	2.5
115.03914	50.6
119.03375	1.3
126.05432	1.5
127.03903	19.0
129.00902	2.6
129.01820	56.7
131.03348	1.3
133.04968	6.4
141.01799	2.8
143.03374	19.8
145.04936	28.5
147.02895	2.9
157.01306	48.0
157.90514	1.4
159.02928	1.6
161.04439	18.2
163.05981	10.4
163.56894	1.2
171.02861	13.2
172.63884	1.3
189.03906	76.2
203.05495	26.9
207.04976	7.6
221.06509	7.2
266.70477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
55.05499	18.9
57.07079	4.9
59.04984	3.5
59.82241	2.1
67.05496	33.1
69.03410	3.4
69.07057	32.4
71.04986	11.5
79.05488	32.4
80.63508	2.0
81.07040	65.7
83.04967	20.5
83.08606	10.4
85.02895	4.3
85.06544	4.3
91.05463	47.2
93.07027	85.1
95.04959	10.4
95.08582	73.0
97.06519	10.0
97.10156	2.7
99.04464	3.7
99.08081	3.3
102.17007	2.4
105.06360	4.7
105.07020	88.3
107.05005	2.1
107.08582	94.3
109.06513	9.8
109.10147	54.7
111.08092	3.8
113.09657	2.8
117.07002	24.7
119.08575	52.5
120.08899	4.3
121.06468	2.9
121.10124	54.3
123.08038	7.9
123.11702	15.2
125.09634	9.9
130.07741	2.3
131.08546	40.7
133.10117	59.9
133.11050	4.1
135.08122	3.1
135.11671	50.9
137.09592	4.4
143.08516	4.0
145.10110	65.7
147.11687	13.9
149.13245	100.0
151.11192	9.2
159.11658	42.7
161.13237	11.9
163.11165	11.0
165.32939	2.2
173.13248	28.1
175.14830	17.1
177.12729	3.3
189.16414	28.7
191.14279	3.4
191.17953	18.2
201.16379	73.9
212.88206	2.3
219.17407	88.5
221.15405	2.2
229.04054	2.3
237.18460	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	255.1952
Annotation	Canusesnol G
Peak:m/z	Relative Intensity
54.09610	1.4
55.01862	2.6
55.05514	13.3
57.07068	7.0
61.73305	1.6
67.05487	26.8
69.07058	30.0
71.04974	19.7
79.05476	16.3
81.07047	31.8
83.04976	2.1
83.08621	6.7
85.06542	15.6
89.38841	1.7
91.05446	18.3
93.07020	50.9
93.07566	2.6
95.04937	3.7
95.08589	33.0
95.82269	1.5
97.06505	11.0
102.83756	1.7
103.27283	1.5
105.07018	77.0
107.08578	64.8
109.06523	3.5
109.09385	3.0
109.10145	92.1
111.08073	9.3
114.53325	1.5
117.06995	6.8
119.07712	3.6
119.08562	99.9
121.06529	2.9
121.10117	41.8
123.08073	2.9
123.11664	2.2
125.09634	5.9
127.11217	1.9
131.08540	17.5
133.10109	98.1
135.11693	14.1
137.09578	4.0
139.07556	12.2
144.09363	2.6
145.10091	34.5
147.11665	9.3
149.09605	8.4
149.13261	18.2
151.11136	4.1
157.10031	2.5
159.11671	55.5
161.13228	100.0
163.11119	13.4
173.13255	26.0
175.14783	2.6
177.12726	12.1
177.16383	2.9
179.14275	2.0
191.14261	12.7
191.17938	2.0
201.16350	58.7
219.13879	3.3
219.17400	55.3
237.14925	2.8
237.18471	12.8
255.19266	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	255.1952
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.00298	2.7
54.81504	2.1
55.01860	4.1
55.05507	32.1
56.96561	4.0
57.03432	3.1
57.07063	5.2
59.04984	5.5
63.84959	1.9
65.03937	2.4
67.05495	36.0
69.03434	8.1
69.07056	37.0
71.04974	46.7
73.06548	2.8
77.67681	2.0
79.05477	47.7
81.07038	100.0
82.07353	2.8
83.04971	16.1
83.08607	13.0
85.06528	11.0
91.05459	40.2
93.06480	4.7
93.07024	76.8
94.07328	3.7
95.04935	15.4
95.08592	55.4
97.06525	16.5
97.10146	3.6
99.04438	3.0
99.08093	12.9
105.07015	89.9
107.08582	74.3
109.06507	18.8
109.10149	43.2
111.08060	3.7
117.07001	13.1
118.58342	2.3
119.08553	64.6
120.08850	3.8
121.06485	10.2
121.09330	3.9
121.10101	28.8
123.08008	4.8
123.11684	15.9
125.09621	10.9
127.07531	3.3
130.07770	4.0
131.08542	33.6
133.10112	77.8
134.10471	3.2
135.08038	9.9
135.11678	35.0
137.05965	13.4
137.74255	3.1
144.09401	3.1
145.10127	50.8
147.08066	2.8
147.11655	10.9
149.09598	9.7
149.13240	11.5
151.11159	10.5
157.10147	4.8
159.11661	31.9
161.13231	14.1
163.11171	15.9
165.12694	3.1
167.14326	10.3
173.13229	9.9
175.14847	11.6
177.09111	5.0
177.12706	9.6
179.14384	2.9
190.95930	2.8
191.18001	17.6
201.16406	17.0
219.13962	4.9
219.17390	44.2
237.14902	4.2
237.18465	11.1
255.15616	2.7
278.35162	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	255.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.7
54.36713	2.0
55.01868	3.0
55.05504	27.8
56.96539	2.4
57.03428	4.6
57.07058	12.9
59.04985	4.0
67.05498	43.1
69.03404	23.6
69.07052	57.9
70.07382	2.5
71.04974	29.4
79.05473	41.1
80.05791	2.0
81.07040	100.0
82.07368	5.7
82.35960	2.0
83.04965	10.1
83.08607	12.8
85.06519	12.8
89.06034	2.3
91.05458	35.2
93.07024	90.6
94.07344	3.0
95.04958	16.7
95.08585	54.4
96.08895	3.3
97.06528	17.4
97.10183	3.4
99.04427	2.9
99.08080	3.4
105.07018	81.6
106.07374	3.4
107.08577	59.2
108.08900	3.7
109.06508	21.2
109.10144	45.6
110.10501	4.2
111.08049	12.3
115.05430	2.8
117.07001	20.7
119.08559	53.2
120.08887	8.6
121.06490	10.2
121.10121	39.1
122.10384	2.9
123.08047	13.8
123.11697	11.4
125.09615	4.4
127.11176	5.3
129.07011	2.7
130.07796	2.7
131.08565	23.8
133.10106	55.1
134.10471	4.3
135.08035	5.2
135.11688	26.4
137.06015	2.9
137.09583	14.8
138.09921	2.5
139.07501	10.5
139.11168	2.6
145.10118	47.5
147.11682	17.0
149.09589	5.7
149.13231	18.8
151.11211	18.2
152.40773	2.4
155.10675	10.4
159.11638	25.3
161.09610	3.8
161.13269	11.2
162.09894	2.8
163.11159	14.2
165.12669	3.6
173.13246	10.6
175.14795	9.1
177.12732	4.2
189.16368	32.1
191.17928	11.1
201.12839	2.8
201.16365	28.6
202.16911	2.6
209.15373	2.6
219.13826	3.0
219.17398	31.0
220.62497	2.6
231.00140	2.9
237.14944	3.0
237.18396	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	255.1953
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03931	2.0
55.05506	18.9
57.03416	2.7
57.07051	1.3
59.04980	1.1
61.77624	1.5
67.05492	21.3
69.03415	17.3
69.07059	12.0
71.04978	36.5
77.03738	1.0
79.05480	21.4
80.86066	1.2
81.07038	54.2
83.04974	1.5
83.08585	4.6
85.06490	1.2
91.05460	40.1
92.08718	1.2
93.07027	37.0
95.04951	9.6
95.08588	18.1
97.06508	5.0
98.97550	1.4
99.04459	2.3
99.08060	7.0
103.05457	1.4
105.07016	100.0
107.08572	25.4
109.06503	18.0
109.10154	30.1
111.08051	1.8
117.07018	8.4
119.08572	20.1
121.10114	13.1
123.08064	5.3
123.11687	5.0
125.09588	10.1
127.11177	16.9
129.07014	2.0
130.07858	1.3
131.08525	15.0
133.10114	89.1
135.08055	2.4
135.11740	2.2
137.09599	10.3
143.08493	1.4
143.10646	2.3
143.48491	1.2
144.09393	1.4
145.10103	22.3
147.11684	8.1
149.09573	1.5
149.13239	1.9
151.11180	25.1
155.10658	8.0
156.68460	1.4
159.11673	11.9
161.13304	1.5
163.11176	1.3
173.13258	4.1
177.12706	1.7
201.16382	7.3
207.90421	1.2
219.13747	1.3
219.17368	11.9
237.18393	5.0
250.25185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1952
Annotation	[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
Peak:m/z	Relative Intensity
53.03946	3.9
55.01868	3.5
55.05499	16.8
59.04966	2.6
67.05500	53.6
67.59777	2.4
69.03419	3.0
69.07058	20.0
70.15861	2.7
71.04981	7.1
79.05469	55.8
81.07042	100.0
83.08610	4.2
85.06534	4.0
91.05460	44.8
93.07026	69.8
95.04928	14.5
95.08585	43.2
98.97549	3.3
105.07024	81.9
107.08572	52.2
109.06528	6.5
109.10131	42.0
111.08036	4.1
111.57536	2.6
115.05431	4.1
117.07005	26.0
119.08559	46.2
121.10110	22.3
123.08030	5.1
123.11673	5.4
125.09660	4.3
129.07010	3.4
130.07764	3.6
131.08545	40.3
133.10103	32.0
135.11658	3.8
144.09297	6.6
145.10107	48.3
147.11662	6.3
149.13181	3.5
157.10158	3.7
158.10713	2.7
159.11656	26.8
161.13251	5.4
173.13336	5.0
184.42012	2.9
191.14357	3.3
201.16420	12.5
232.14191	3.6
248.21707	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	255.1953
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
51.34811	1.0
53.03949	1.4
55.05513	9.5
57.03430	1.5
57.07071	100.0
65.03944	1.2
67.05490	18.2
68.17058	1.1
69.07053	17.5
71.04984	5.8
77.92452	1.5
78.90939	1.2
79.05480	25.6
80.05817	1.9
81.07043	40.2
82.07384	2.0
83.04967	2.0
83.08600	3.0
85.06537	66.5
91.05463	25.7
93.07027	61.9
94.07365	8.7
95.04961	6.8
95.08580	24.6
96.08919	5.0
97.06512	2.1
97.10197	2.3
99.04457	5.9
103.05466	2.1
104.18562	1.4
105.07013	21.2
106.07351	2.5
107.08584	68.8
108.08922	16.2
109.06483	15.7
109.10149	22.9
110.10485	5.4
111.08082	1.8
113.05956	5.5
117.06980	10.4
119.08567	68.8
120.08900	2.0
121.06500	1.6
121.10116	13.4
122.10473	3.1
123.11687	2.8
125.09624	1.4
131.08549	5.4
133.10106	11.0
134.10469	5.8
135.08044	4.9
135.11687	20.3
135.24971	1.4
136.12030	7.3
137.09607	46.4
139.07500	2.7
145.10078	11.4
146.10504	3.1
147.11687	2.2
149.13248	2.2
151.11154	15.6
155.10652	21.3
159.11688	6.4
160.11928	1.9
161.13240	2.7
173.13245	1.5
175.14841	2.3
177.12788	1.4
192.18291	2.6
201.16394	3.1
202.16736	3.2
204.63292	1.3
219.17384	20.6
220.17775	25.7
237.18558	16.3
255.13457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1953
Annotation	Isovaleroyloxylinalool
Peak:m/z	Relative Intensity
53.03937	1.5
53.45425	0.5
55.05502	3.3
57.07067	100.0
57.55036	0.6
59.71020	0.6
65.03919	0.8
67.05495	5.6
69.07052	2.8
70.44042	0.6
71.04974	3.2
74.64080	0.6
79.05479	9.3
81.07043	11.9
83.75360	0.6
85.06528	61.7
86.68468	0.6
90.16656	0.6
91.05465	18.1
93.07022	37.0
95.04934	4.7
95.08598	3.7
99.04432	4.6
105.07034	5.4
107.08577	35.6
109.06516	11.5
109.10146	6.4
111.08056	0.8
111.60609	0.6
113.05982	5.6
117.07015	3.7
119.08560	53.4
121.10072	0.9
127.11233	0.9
133.10066	0.9
135.11679	8.3
137.09598	35.6
145.10101	3.3
151.11143	13.3
155.10643	18.6
155.47440	0.7
201.16415	1.2
219.17435	3.4
237.18436	10.7
242.94937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	Isovaleroyloxylinalool
Peak:m/z	Relative Intensity
54.21134	1.0
55.05503	7.6
55.60022	1.0
57.07071	100.0
65.03938	1.5
67.05496	11.4
69.07063	3.0
71.04969	2.8
79.05477	12.6
81.07038	22.4
83.08591	1.5
85.06532	60.3
91.05457	19.5
93.07030	38.1
95.04958	5.4
95.08582	9.6
97.06533	1.4
99.04449	5.3
105.07013	9.4
107.08584	36.7
109.06516	11.9
109.10162	10.7
111.08060	2.1
113.05974	4.8
117.07024	7.6
119.08572	56.7
121.10146	2.2
123.11760	1.9
127.11125	1.2
131.08534	1.8
133.10120	5.1
135.11688	11.7
137.09593	38.0
145.10132	3.0
151.11172	13.1
155.10655	19.4
159.11716	1.9
163.11130	1.4
167.52623	1.6
173.13217	1.4
175.93333	1.4
219.17438	5.6
237.18489	14.7
238.30327	1.2
255.13403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
Peak:m/z	Relative Intensity
51.94261	1.6
53.00286	2.2
53.03929	1.6
55.05495	15.6
57.03424	11.7
57.07055	12.2
60.24199	1.9
62.48436	1.8
64.67972	1.6
67.05493	13.2
67.77790	2.0
69.03077	3.2
69.03421	55.9
69.07059	13.9
71.04978	92.7
79.05478	23.4
81.07041	100.0
83.04963	3.5
83.08608	4.7
85.06532	8.9
91.05444	19.9
93.07021	41.6
93.62816	2.0
95.04955	19.1
95.08588	19.2
95.96549	1.9
97.06488	9.3
99.08072	15.5
105.07016	54.6
107.08582	38.0
109.06507	45.5
109.10136	24.8
117.07015	4.1
119.08575	20.6
121.10100	12.5
123.08022	10.2
123.11683	27.3
125.09644	7.4
127.07517	2.2
127.11177	79.5
131.08559	9.4
133.09183	3.6
133.10110	73.1
139.11171	7.1
142.60713	2.3
143.10654	16.6
145.10132	31.5
147.11655	11.5
149.09633	2.7
149.13181	2.3
151.11166	89.3
155.10632	28.0
159.11615	14.3
159.15053	1.9
161.13222	7.3
163.11142	2.9
201.16310	8.4
219.17415	12.1
237.18483	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	255.1952
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.00305	2.7
54.36713	2.0
55.01868	3.0
55.05504	27.8
56.96539	2.4
57.03428	4.6
57.07058	12.9
59.04985	4.0
67.05498	43.1
69.03404	23.6
69.07052	57.9
70.07382	2.5
71.04974	29.4
79.05473	41.1
80.05791	2.0
81.07040	100.0
82.07368	5.7
82.35960	2.0
83.04965	10.1
83.08607	12.8
85.06519	12.8
89.06034	2.3
91.05458	35.2
93.07024	90.6
94.07344	3.0
95.04958	16.7
95.08585	54.4
96.08895	3.3
97.06528	17.4
97.10183	3.4
99.04427	2.9
99.08080	3.4
105.07018	81.6
106.07374	3.4
107.08577	59.2
108.08900	3.7
109.06508	21.2
109.10144	45.6
110.10501	4.2
111.08049	12.3
115.05430	2.8
117.07001	20.7
119.08559	53.2
120.08887	8.6
121.06490	10.2
121.10121	39.1
122.10384	2.9
123.08047	13.8
123.11697	11.4
125.09615	4.4
127.11176	5.3
129.07011	2.7
130.07796	2.7
131.08565	23.8
133.10106	55.1
134.10471	4.3
135.08035	5.2
135.11688	26.4
137.06015	2.9
137.09583	14.8
138.09921	2.5
139.07501	10.5
139.11168	2.6
145.10118	47.5
147.11682	17.0
149.09589	5.7
149.13231	18.8
151.11211	18.2
152.40773	2.4
155.10675	10.4
159.11638	25.3
161.09610	3.8
161.13269	11.2
162.09894	2.8
163.11159	14.2
165.12669	3.6
173.13246	10.6
175.14795	9.1
177.12732	4.2
189.16368	32.1
191.17928	11.1
201.12839	2.8
201.16365	28.6
202.16911	2.6
209.15373	2.6
219.13826	3.0
219.17398	31.0
220.62497	2.6
231.00140	2.9
237.14944	3.0
237.18396	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	255.1951
Annotation	[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
Peak:m/z	Relative Intensity
50.79597	1.4
53.00306	2.2
53.03944	1.9
53.75759	1.6
55.01862	2.9
55.05502	20.9
57.03419	8.3
57.07058	11.2
57.46678	1.7
60.62633	1.4
61.43856	1.6
61.71343	1.6
62.63768	1.6
67.05492	20.1
69.03413	56.8
69.07053	20.5
71.04975	95.6
77.64182	1.8
79.05470	20.1
81.07037	91.6
83.04966	2.5
83.08605	3.7
85.06532	8.1
91.05450	28.7
93.07018	47.3
95.04933	16.8
95.08595	23.2
97.06527	11.2
97.10153	1.9
99.07480	1.7
99.08047	16.5
105.07016	59.9
107.08585	39.0
109.06501	49.1
109.10143	30.3
111.07977	2.1
117.07005	3.8
119.08559	24.7
120.08904	3.1
121.10098	18.0
123.08051	10.3
123.11671	24.6
123.48552	1.8
125.09617	15.4
127.07520	2.0
127.11166	81.3
130.07732	2.5
131.08524	8.6
133.10101	71.3
133.11028	3.6
135.08006	2.5
135.11674	3.7
139.11157	9.1
143.10640	15.7
145.10097	39.1
147.11670	10.2
149.13272	3.1
151.11168	100.0
155.10638	26.9
159.11693	10.6
161.13261	3.9
175.14926	2.1
177.12706	2.3
185.66830	1.9
201.16386	12.0
219.17436	7.8
237.18449	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81739	0.8
55.01864	2.1
55.05504	10.8
57.03424	1.6
57.07065	5.8
59.04987	1.7
59.91688	0.8
61.06331	0.8
67.05488	23.2
69.03433	2.0
69.07054	29.3
71.04984	13.2
71.08627	1.0
79.05476	11.8
81.07043	34.5
83.04985	1.9
83.08610	6.2
84.69563	0.9
85.06528	13.8
91.05460	17.2
93.07024	65.3
95.04945	3.6
95.08588	33.4
97.06522	16.6
97.10158	2.1
98.50845	0.9
99.08085	2.2
105.07017	69.4
107.04971	1.1
107.08584	69.9
109.06517	5.2
109.10143	79.5
111.08087	13.6
113.09614	2.0
117.07018	6.5
119.08562	94.9
121.06500	5.8
121.10127	43.5
121.10979	1.8
121.46348	0.9
123.08047	4.3
123.11701	1.8
125.09631	5.1
127.11197	5.9
129.07037	1.7
130.07796	1.1
131.08546	12.0
132.95851	1.6
133.10112	100.0
135.08049	5.2
135.11674	15.5
139.07524	41.2
139.11192	1.2
139.19083	1.1
144.09319	1.8
145.10112	25.1
146.10857	1.3
146.29329	1.0
147.11674	3.7
149.09621	1.3
149.13261	18.6
150.96841	3.9
151.11247	1.4
153.09094	8.0
157.10092	2.1
158.10898	5.0
159.11684	30.8
161.13232	91.2
162.13466	1.1
163.07558	1.2
163.11136	11.5
163.14813	3.9
165.10306	1.0
173.13231	26.9
175.14833	3.6
177.12704	7.8
177.16275	1.9
179.14348	1.9
183.11624	1.2
191.14279	10.0
191.17938	4.4
195.13773	3.8
201.12851	1.4
201.16356	39.4
201.18173	1.5
209.15363	7.3
219.13867	6.3
219.17419	33.2
237.14888	6.3
237.18488	6.8
255.19460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	(+)-trans-C75
Peak:m/z	Relative Intensity
53.03927	0.5
55.05498	3.3
56.96555	0.4
57.07064	5.1
58.45869	0.4
59.04997	0.8
64.33972	0.4
65.03943	0.6
67.05489	2.9
69.03418	1.8
69.07059	6.2
71.04955	0.5
71.08601	0.7
72.41238	0.4
79.05469	11.8
80.05772	0.5
81.07034	7.0
83.04958	2.0
83.08600	2.0
85.06533	0.9
91.05457	10.7
92.05824	0.5
92.09287	0.5
93.07021	100.0
94.07320	1.7
95.04943	2.1
95.08578	16.5
97.06508	33.2
105.07013	11.7
107.04925	2.1
107.08575	78.8
108.08888	0.6
109.06501	3.0
109.10155	4.1
111.08048	4.8
115.05381	0.5
117.06984	2.0
119.08549	5.9
120.08916	0.7
121.06494	14.4
121.10111	15.5
121.68462	0.4
123.08036	2.4
123.11624	0.5
129.06966	0.6
131.08540	6.1
131.45819	0.4
133.10127	5.0
135.08022	7.6
135.11676	14.2
137.09575	0.5
139.07518	94.6
143.08592	0.6
144.09253	0.6
145.10109	3.7
147.07996	0.4
147.11652	3.5
149.09627	4.1
149.13237	29.7
151.11203	0.8
153.09082	21.4
155.08476	0.7
157.10074	3.4
158.10785	0.6
159.08012	2.3
159.11658	7.7
160.11949	0.8
162.13570	0.6
163.07513	3.0
163.14751	5.9
165.87822	0.4
167.10635	0.6
168.09254	0.8
173.13239	6.4
175.11165	2.6
175.14787	0.6
176.11572	0.6
177.09050	0.7
177.12714	5.0
183.11681	1.7
191.14270	12.1
195.13826	6.6
201.12723	4.0
209.15326	16.9
218.30310	0.5
219.13776	13.6
219.17093	0.5
219.98218	0.5
237.14822	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	255.1589
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
55.05508	5.1
57.07056	4.6
67.05488	8.5
69.07056	9.3
71.04984	2.2
71.08624	0.9
71.13543	1.0
71.38508	1.0
74.89997	0.9
79.05476	14.4
81.07041	14.4
83.04963	2.1
83.08607	2.1
85.06567	1.4
91.05470	9.5
93.07019	100.0
95.04924	3.9
95.08582	19.1
97.06504	35.7
99.04428	1.4
103.57011	1.1
105.07019	14.4
107.04961	2.3
107.08577	82.0
109.06512	5.8
109.10153	9.4
111.08064	6.4
117.07047	3.8
119.08533	9.9
119.83513	1.2
121.06480	14.5
121.10122	18.2
123.08039	3.9
123.11678	1.4
131.08546	10.2
133.10150	8.5
135.08031	10.8
135.11681	14.8
139.07521	98.5
145.10107	5.6
147.11671	2.4
149.09590	5.5
149.13237	29.9
153.09073	20.4
153.35393	1.2
155.08571	1.2
157.10117	1.5
159.08052	2.2
159.11658	10.3
161.13251	2.0
163.07518	2.4
163.11130	2.2
163.14774	9.0
173.13243	6.9
175.11188	1.4
177.09218	1.1
177.12689	8.9
179.14201	1.4
183.11652	1.6
191.14279	10.4
193.15929	1.2
195.13748	8.0
197.94870	1.2
201.12744	4.1
209.15353	15.8
219.13779	13.2
219.17247	1.4
236.26506	1.0
237.14778	14.5
277.02628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	C75
Peak:m/z	Relative Intensity
51.20343	1.3
53.03932	1.8
54.82016	1.5
55.01853	6.7
55.05508	15.6
57.07053	7.7
62.47897	1.4
67.05487	27.4
69.03410	7.4
69.07053	34.5
71.04962	7.6
79.05473	26.4
79.98322	1.5
81.07042	100.0
82.07379	1.7
83.04957	9.8
83.08604	7.7
85.06532	38.7
88.36317	1.5
91.05451	30.8
92.08666	1.6
93.07027	63.8
95.04930	6.5
95.08581	55.1
96.44437	1.5
97.06491	10.3
97.10121	1.9
99.04451	2.3
99.08060	2.5
103.85378	1.6
105.07011	63.9
106.07343	2.0
107.04952	2.8
107.08588	49.1
108.27153	1.5
109.06511	19.6
109.10150	19.3
111.08059	8.5
111.11680	7.3
117.07027	15.3
119.08553	38.3
121.06507	11.4
121.10137	35.0
123.08051	29.0
123.11674	10.2
125.03906	1.6
125.06017	2.6
125.09641	5.9
127.07526	14.5
128.33186	1.5
129.06973	3.3
130.07780	2.5
131.08549	39.2
132.08858	1.8
133.10120	30.5
135.08020	17.1
135.11644	15.5
137.09593	3.6
139.07571	2.7
139.11151	2.4
142.07748	1.6
143.08569	2.7
144.09305	2.5
145.10110	33.7
147.08073	1.7
147.11693	14.1
149.05969	2.4
149.09549	6.9
149.13249	19.5
151.11150	5.6
153.09103	2.4
155.08553	1.9
157.10136	8.6
157.89198	1.5
158.10797	3.0
159.08034	3.4
159.11671	55.4
161.09639	2.1
161.13231	12.0
163.07539	3.2
163.11171	6.2
165.12729	11.8
173.13243	28.7
175.11188	2.0
175.14777	11.7
177.12701	8.0
183.11646	8.5
189.16351	2.0
191.14279	21.4
191.17924	3.0
192.28296	1.8
201.12729	30.6
201.16429	8.1
209.15344	20.3
219.13785	55.0
219.17253	14.2
237.14810	19.2
237.18454	10.8
255.15863	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	255.1588
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03944	1.2
53.05301	1.0
55.01862	1.9
55.05512	8.6
57.07061	4.4
59.04988	4.3
67.05489	11.8
69.03407	2.5
69.07050	20.7
71.04969	21.2
79.05474	12.7
81.03390	1.0
81.07031	26.9
82.07369	1.1
83.04967	4.6
83.08589	1.1
85.06526	4.0
91.05447	14.4
93.07021	50.0
95.04960	11.1
95.05477	1.5
95.08578	36.9
97.06510	11.2
98.03648	0.9
99.04441	6.2
99.08037	1.1
101.30568	1.0
105.07007	32.1
107.04929	1.2
107.08578	31.6
109.06499	15.6
109.10133	20.7
110.03638	5.1
110.07279	1.2
111.04404	1.7
111.08054	1.9
117.06994	7.0
119.08553	34.3
121.06480	57.5
121.10104	16.1
123.08045	22.2
123.11658	2.0
125.09603	2.0
129.06981	1.6
131.08572	8.3
133.07582	1.2
133.10123	18.8
135.08031	17.6
135.11662	30.0
137.05957	11.2
137.09595	19.9
137.13232	1.4
138.06757	2.5
139.11169	1.7
143.08524	5.7
145.10077	18.9
147.08037	5.3
147.11644	2.0
149.09608	2.0
149.13248	4.1
151.11165	6.0
151.14786	5.8
157.10117	1.5
159.11646	12.4
161.09578	14.5
161.13162	10.3
163.11142	100.0
168.07735	1.3
173.13150	4.0
175.14783	6.8
177.09102	1.4
177.12714	4.0
177.16461	1.0
179.10686	4.6
179.14273	88.1
180.11342	1.9
191.14293	2.3
191.17879	1.8
201.16309	6.5
203.14316	7.0
219.13882	1.3
219.17426	11.9
221.15337	43.4
237.14732	1.9
237.18449	4.4
246.33690	1.0
255.15785	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	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39175	8.8
52.26761	9.4
60.34557	8.9
64.55396	10.7
76.56590	11.5
83.47334	9.9
89.12625	9.6
90.85607	11.4
102.95515	10.8
112.89597	55.7
118.77689	10.3
122.83701	11.1
124.70580	10.1
130.18690	10.4
145.55843	11.1
170.18730	10.9
189.00040	18.3
251.28215	12.4
255.06207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01860	0.7
55.05489	2.9
56.96551	0.4
57.07059	5.4
59.04992	0.7
62.46448	0.4
65.03928	0.5
67.05483	5.0
68.05823	0.6
68.99770	0.5
69.03417	2.8
69.07053	8.9
70.07426	0.5
70.35818	0.4
71.04973	2.0
71.08594	0.5
75.05879	0.4
75.12058	0.3
75.57772	0.4
79.05469	12.8
80.05750	0.4
81.06594	0.7
81.07036	11.4
83.04961	2.3
83.08585	3.0
85.02887	1.0
85.06516	2.1
86.06846	0.4
91.05457	14.9
93.07021	100.0
94.07352	2.4
95.04942	3.9
95.08582	21.1
96.08924	0.4
97.06509	33.5
99.04429	0.7
105.07003	12.1
106.07335	2.5
107.04924	2.5
107.08573	83.2
108.08877	0.9
109.06499	2.9
109.10151	7.1
111.08074	5.5
117.06991	1.8
119.08559	7.7
120.08887	2.1
121.06479	15.8
121.10116	16.3
123.08056	3.3
123.11703	1.7
125.09633	0.5
128.90028	0.4
129.06989	0.5
131.08559	8.0
132.08868	1.0
133.10089	7.0
134.10477	1.8
135.08032	6.8
135.10651	0.7
135.11668	16.0
137.09583	0.7
139.07516	91.2
142.07793	0.9
143.08553	0.6
145.10109	4.9
146.10434	1.0
147.11690	4.4
148.08772	0.5
149.09613	3.3
149.13232	29.4
153.09076	22.5
153.10338	0.5
155.08521	0.5
157.10094	3.0
158.10555	0.6
159.07991	2.2
159.11655	9.3
160.12032	2.4
161.13258	2.2
162.13570	1.9
163.07516	4.1
163.14772	5.5
167.10614	1.0
168.09279	0.9
173.13211	6.2
175.11137	3.1
175.14796	0.6
176.11475	2.3
177.09007	0.8
177.12679	6.2
183.11621	2.3
191.14275	13.5
193.15894	0.5
195.13757	7.4
201.12689	3.4
202.16708	0.8
208.81320	0.5
209.15340	18.0
209.17340	0.6
219.13770	10.6
219.17256	0.9
237.14824	12.7
237.20335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03946	1.2
55.01857	2.3
55.05501	8.3
57.07066	11.4
59.04991	1.4
61.23027	1.1
67.05504	12.1
69.03417	2.7
69.07060	17.3
71.04977	6.6
71.46288	1.1
73.00645	1.3
79.05479	17.4
81.07036	25.2
82.07397	1.5
83.04961	5.3
83.08604	5.0
85.06526	6.2
91.05466	16.2
93.07029	100.0
95.04960	5.1
95.08591	22.5
96.08939	1.4
97.06519	29.4
99.08064	2.2
105.07027	22.1
107.08590	77.7
109.06502	5.2
109.10162	12.9
111.08069	7.1
117.06963	3.9
119.08556	17.7
121.06508	11.4
121.10129	24.0
123.08068	3.2
123.11632	1.3
125.09611	1.6
131.08545	18.6
133.10098	12.0
135.08020	11.0
135.11674	13.8
137.09619	2.3
137.13165	1.2
139.07535	82.0
144.09328	1.7
145.10115	7.7
147.11667	5.6
149.09634	3.0
149.13275	25.2
151.07487	1.4
151.11197	5.6
153.09106	17.4
157.10150	5.1
159.08018	1.6
159.11720	14.5
161.09602	1.5
161.13284	2.4
163.07529	2.7
163.11200	1.4
163.14824	5.3
173.13271	9.5
175.11174	2.0
175.14760	2.0
177.09169	2.4
177.12727	10.7
181.55116	1.4
191.14334	11.5
192.15141	1.6
195.13802	5.8
201.12772	2.7
201.16446	2.7
209.15382	15.9
219.13841	11.7
219.17421	6.0
237.14803	9.6
237.18486	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	254.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25336	1.3
55.05499	8.0
57.07051	1.2
59.04987	2.9
67.05502	21.2
69.07073	10.5
71.04612	2.3
71.04979	45.4
79.05471	7.4
80.00289	1.2
81.07041	20.8
82.07364	2.5
83.08599	7.4
84.07661	1.3
84.08131	34.0
85.06529	100.0
91.05437	7.2
93.07030	26.9
94.07362	2.6
95.04981	2.0
95.08601	13.9
97.06532	2.7
105.07035	9.2
106.07343	2.2
107.08583	28.8
107.86005	1.3
109.06511	2.9
109.10133	9.8
111.08047	1.6
119.08517	9.5
120.08876	2.3
121.10082	10.5
131.08549	1.7
133.10107	3.4
134.10434	2.6
135.11693	5.2
137.09593	2.4
145.10043	6.3
149.13248	8.7
150.09932	1.6
151.11212	1.5
159.11609	5.9
164.11613	1.6
219.17447	1.5
236.17273	2.7
254.18346	1.7
255.06400	3.1
268.37064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01841	1.4
55.05506	22.1
57.03404	0.8
57.07052	1.0
59.04975	4.0
67.05490	20.7
69.03405	4.6
69.07056	16.9
70.07402	0.9
71.04977	4.6
77.64180	0.9
79.05476	29.2
80.05803	1.5
81.03420	1.1
81.07037	100.0
82.07402	1.4
83.04961	2.3
83.08605	39.7
85.06548	1.6
91.05463	18.4
92.05789	1.1
93.07024	64.2
94.07365	2.2
95.04945	8.2
95.08583	32.0
95.93152	0.9
96.08912	1.3
96.09467	1.0
96.17499	0.9
97.06499	6.8
99.08066	1.4
103.72385	0.9
105.07018	23.2
106.07349	5.3
107.08580	25.1
108.08928	1.1
109.06493	8.1
109.10141	37.6
111.08085	12.3
119.08562	31.1
120.08908	5.3
121.06499	1.5
121.10135	17.0
123.08038	4.6
123.11673	3.7
127.11190	1.4
131.08533	4.1
133.10124	7.1
135.11687	8.6
137.09601	44.2
138.10361	6.1
144.09387	0.9
145.10112	14.5
146.10500	1.7
147.11667	12.7
148.11990	1.8
149.09579	2.3
149.13261	2.0
151.11205	2.0
155.10625	14.0
157.00401	1.0
159.11713	10.2
161.13243	6.7
163.11179	9.6
173.13213	2.3
176.15248	1.3
177.12601	1.6
192.14566	2.2
201.16380	9.3
219.17429	21.9
236.17331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99470	0.5
53.03926	2.8
55.01855	1.3
55.05503	14.3
56.05835	0.6
57.03423	0.9
57.07055	4.0
59.04977	3.5
65.03910	1.1
67.05494	26.8
69.03411	4.0
69.07050	13.5
70.07375	1.5
71.04976	35.8
71.20830	0.6
79.05048	1.2
79.05472	17.3
79.60577	0.8
80.05792	1.3
81.07037	62.7
82.07394	2.5
83.04967	2.9
83.08604	26.3
84.08127	32.9
85.06526	100.0
86.35847	0.7
91.05462	14.3
91.85613	0.7
92.05783	1.0
93.07021	51.4
94.07339	1.1
95.04948	5.6
95.08583	22.4
96.08960	0.8
97.06520	7.2
103.05409	0.6
105.07002	17.2
106.07349	4.2
107.04937	0.7
107.08570	25.7
108.08936	2.7
109.06494	5.6
109.10140	25.5
110.06804	0.7
111.08047	7.3
117.06988	3.6
119.08549	22.8
120.08897	9.2
121.06444	0.8
121.10124	9.6
122.10477	1.0
123.08039	4.2
123.11674	3.7
131.08522	3.8
132.08920	1.4
133.10106	7.7
134.09503	0.7
134.10426	6.3
135.07938	0.9
135.11662	11.0
137.09598	29.0
138.10326	3.1
144.08966	0.8
145.10115	6.8
146.10396	0.9
147.11676	8.2
148.12013	4.8
149.09619	1.3
149.13226	3.4
151.11151	3.7
155.10634	7.6
157.09894	0.7
158.10442	1.3
159.11615	5.3
160.11937	1.1
161.13194	5.0
162.13522	0.9
163.11130	7.0
172.11995	2.5
173.13249	1.0
175.11215	0.8
175.14760	1.1
176.11485	7.4
177.12743	0.9
190.13034	3.2
200.11533	0.8
201.16345	5.7
218.12561	4.4
218.16249	1.2
219.17374	15.5
236.13603	1.6
236.17218	1.2
238.03827	0.7
254.14711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23116	0.3
53.03939	0.4
55.05508	4.2
57.07069	1.6
59.04991	0.7
65.03931	0.6
67.05494	11.9
69.03408	0.5
69.07059	3.2
71.04978	36.9
77.87792	0.4
79.05474	2.9
81.07048	3.5
82.07374	0.9
83.08610	6.8
84.07622	0.8
84.08130	30.5
85.06529	100.0
87.04434	0.6
91.05472	3.8
93.07017	15.8
94.07327	0.5
95.04955	0.9
95.08595	4.0
96.08955	0.5
97.06530	0.6
99.02728	0.4
101.30069	0.4
102.75813	0.3
105.07014	3.8
106.07333	0.4
107.08585	12.7
109.06516	1.7
109.10152	1.5
119.08572	2.7
120.08896	1.3
121.10108	2.7
123.11720	0.7
133.10133	0.7
134.10471	0.7
135.11668	4.9
137.09596	2.7
144.25940	0.3
145.10097	0.6
149.13257	2.4
151.11189	2.5
155.10699	0.6
159.11693	0.8
191.31310	0.4
199.64037	0.4
236.17337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04606	1.0
53.03931	1.6
54.81659	1.0
55.01859	1.6
55.05505	20.0
56.05830	1.0
57.07064	2.8
59.51416	1.1
67.05488	32.7
68.05818	2.2
69.03407	2.3
69.07053	21.0
70.07366	1.9
71.04974	36.9
77.03944	1.3
79.05476	28.6
80.05810	2.0
81.07036	100.0
81.71621	1.3
82.07355	8.7
83.04971	5.0
83.08598	5.9
84.05303	2.1
84.08132	8.4
85.06526	23.0
91.05457	23.5
92.05811	2.9
93.07021	60.8
94.07352	6.2
95.04950	8.0
95.08582	56.0
96.08910	2.9
97.06516	17.2
97.10163	3.0
98.06850	1.6
99.04482	2.2
105.07009	39.9
106.07344	5.1
107.08575	71.6
108.08922	6.3
109.06501	7.8
109.10125	32.6
110.10490	2.4
111.08083	6.5
115.05455	1.4
117.07020	5.7
119.06034	1.3
119.08559	27.7
120.08867	11.4
120.87660	1.1
121.06451	2.4
121.10128	33.5
122.10485	1.5
123.08041	6.8
123.11679	6.5
125.09601	4.9
131.08559	15.4
131.35834	1.4
132.08896	2.6
133.10109	12.1
134.10435	6.2
135.08107	1.2
135.10768	1.2
135.11629	9.7
137.09586	1.9
138.75432	1.2
143.08514	1.6
145.10095	21.4
147.11670	5.9
148.12065	1.6
149.13234	15.9
151.11200	5.0
157.10065	1.5
158.10457	3.1
159.11678	17.7
160.11993	2.9
161.13208	7.5
163.11130	1.5
173.13205	2.2
175.14763	2.3
191.55492	1.5
200.15144	2.2
201.16316	11.7
218.16273	2.9
219.17404	11.3
236.17162	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	254.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	20.5
63.86946	3.0
67.05484	23.7
69.07057	48.6
71.04979	5.1
79.05463	22.3
81.06593	6.4
81.07039	100.0
83.04969	8.9
83.08596	7.9
85.06521	3.8
87.48221	3.2
91.05459	23.7
93.07017	71.0
94.18279	3.7
95.04935	15.7
95.08590	62.5
96.06340	3.6
97.06479	16.2
99.04417	8.1
105.07015	64.6
107.08579	64.4
109.06514	5.4
109.10159	46.3
117.06998	8.6
119.08551	46.4
121.06485	5.5
121.10130	51.9
123.11677	24.5
125.09576	4.9
131.08543	23.8
133.10083	23.8
135.08051	6.3
135.11656	33.6
137.13217	5.0
144.09291	4.9
145.10062	37.9
147.11670	23.7
149.13202	6.8
159.11673	50.4
161.13181	21.4
163.11169	14.1
163.14667	5.9
165.12735	7.4
175.14824	4.9
177.12691	16.2
191.17899	17.4
201.16377	22.9
219.17461	48.8
236.20174	7.4
237.18484	17.2
237.27808	4.0
250.90370	4.2
254.21233	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	254.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	14.3
57.07048	3.2
57.53678	2.1
67.05499	17.5
69.07057	26.1
71.04971	4.1
72.73611	2.5
79.05462	14.0
80.04977	2.2
81.07032	74.1
83.08610	4.4
85.02885	5.3
91.05453	17.9
93.07006	44.2
94.07351	3.2
95.08575	48.1
97.06505	9.2
97.10126	3.6
99.91670	2.7
103.24798	2.3
105.07002	49.8
107.08581	51.7
109.06538	3.2
109.10123	26.8
111.08044	3.1
117.07003	10.0
119.08549	36.8
121.06493	3.1
121.10107	31.6
123.08086	3.5
123.11684	11.7
131.08536	23.2
133.10141	18.2
135.08025	3.3
135.11662	33.5
137.13229	12.8
144.09377	4.6
145.10114	39.1
147.11684	22.6
149.13197	3.4
153.12669	2.9
157.10121	4.3
159.11653	100.0
161.13194	5.0
163.11177	10.8
163.14803	3.3
173.95245	3.0
175.14792	22.5
177.12689	4.7
177.16420	5.1
191.17908	16.5
201.16339	30.3
219.17375	33.0
237.18445	13.2
254.21103	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	254.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05504	11.3
57.07064	3.7
65.24738	0.5
67.05182	0.7
67.05493	10.7
68.05822	0.7
69.03423	0.8
69.07056	20.1
71.04977	2.5
79.05474	23.6
80.87251	0.5
81.07039	26.8
82.07346	0.7
83.08613	5.4
83.58248	0.4
89.05997	0.5
91.05459	14.1
93.07022	44.3
94.07355	0.7
95.04931	1.1
95.08587	30.6
97.06499	3.6
97.10105	3.7
105.07012	21.4
107.08578	100.0
109.06512	3.3
109.10141	20.2
109.10855	1.0
110.10467	0.7
111.08038	1.0
111.11706	0.8
117.07012	3.2
119.08560	9.2
120.08857	0.5
121.06493	2.4
121.10122	27.2
123.08052	0.8
123.11706	5.2
131.08565	3.7
133.10115	18.4
135.08051	2.5
135.11674	30.8
137.09583	2.6
137.13214	0.6
139.11240	0.6
143.08514	0.5
145.10117	17.3
147.11717	6.1
149.13237	4.6
151.11180	0.6
152.11530	0.5
158.10353	0.6
159.11705	6.0
161.13249	2.3
163.11145	3.8
163.14816	0.7
165.12769	0.5
170.98152	0.5
173.13268	1.8
175.14789	1.0
177.12724	1.0
181.12172	2.2
190.79865	0.6
191.17903	6.7
201.16336	9.8
218.16283	0.7
219.17406	85.0
228.90573	0.6
236.17249	0.6
237.18538	3.7
258.29129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.0
55.01851	3.1
55.05504	16.2
57.07053	10.3
59.04979	3.0
66.14614	1.6
67.05489	36.1
68.05817	3.2
69.03413	17.0
69.06781	1.6
69.07059	27.2
70.03739	2.2
70.07356	2.9
71.04977	20.6
79.05468	37.4
80.04472	1.6
80.05805	2.2
81.07034	100.0
82.07369	19.1
83.04948	8.5
83.08591	8.2
85.06523	20.0
90.75187	1.6
91.05462	42.0
92.05797	7.2
93.07021	78.6
94.07352	11.6
95.04927	8.8
95.08583	64.2
96.08926	8.4
97.06502	13.6
103.35950	1.6
105.07011	77.4
106.07331	13.4
107.08582	87.3
108.08894	13.6
109.06497	12.8
109.10141	37.1
110.06832	3.4
110.10475	7.5
111.08073	3.2
111.11723	2.0
117.07005	20.4
119.08563	70.3
120.08874	18.8
121.06451	2.7
121.10117	35.8
122.10442	6.8
123.08051	7.0
123.11649	6.9
124.08369	2.6
124.12021	1.9
125.09611	9.4
126.09921	2.3
127.11095	2.4
130.07726	3.1
131.08533	28.1
132.08853	3.6
133.10107	56.9
134.10429	13.1
135.08090	2.9
135.11679	32.6
137.09615	3.5
138.09930	2.2
143.08409	3.0
144.09230	2.6
145.10097	59.5
146.10440	3.3
147.11655	23.2
148.11986	7.4
149.09578	10.5
149.13228	19.5
150.09959	7.4
150.13536	2.9
151.11159	10.1
152.11501	7.4
157.10120	2.0
158.10582	3.0
159.11658	62.3
160.11960	3.2
161.13193	36.4
162.13536	4.3
163.11131	4.3
163.14757	12.1
171.11649	2.8
173.13232	12.3
174.13593	2.1
175.14778	8.0
176.11432	2.4
176.15117	4.3
177.12689	4.0
177.16322	2.3
180.14632	2.0
189.16356	48.0
190.16736	12.6
191.17867	4.3
194.16173	2.5
201.16348	47.1
207.17401	31.0
208.17741	8.3
218.16136	4.2
219.17401	27.9
236.17148	13.3
237.18460	27.4
254.18289	3.2
254.20926	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60133	1.6
54.81975	2.0
55.05508	19.3
56.05832	5.0
57.07051	4.4
59.04972	4.1
65.78243	2.9
67.05492	26.7
68.05819	3.6
69.03437	1.9
69.06712	3.3
69.07055	57.1
70.07370	9.6
71.04989	7.9
79.05473	20.8
80.05820	4.3
81.07043	49.0
82.07362	11.4
82.65453	2.1
83.04977	5.1
83.08599	3.8
85.06504	9.0
85.17895	2.3
91.05476	20.1
92.05796	9.4
92.09303	2.8
93.07018	36.9
94.07357	15.4
95.04959	9.3
95.08589	100.0
96.08922	18.8
97.06499	10.0
99.04447	2.6
100.11132	2.1
105.07011	55.1
105.07672	3.7
106.07364	27.7
107.08585	34.2
108.08920	13.9
109.06513	11.8
109.10143	22.6
110.10489	5.0
111.08030	3.8
111.11702	16.1
117.06988	3.7
119.08571	41.7
120.08894	29.0
121.06496	4.4
121.10117	14.5
122.10426	11.9
123.08067	10.1
123.11703	8.4
124.08394	2.5
127.07574	3.0
131.08545	9.0
132.08925	3.6
133.10097	22.2
134.10454	17.1
135.08025	3.6
135.11673	11.8
136.08372	2.6
137.09604	3.5
145.10115	14.3
146.10493	2.8
147.11629	9.5
148.12019	5.1
149.09694	2.6
149.13222	4.0
150.09947	3.8
158.10519	3.9
159.11670	16.3
160.12000	2.6
161.13208	8.9
163.11122	2.8
174.13634	4.2
175.14766	5.6
176.15129	29.5
176.99356	2.6
190.16708	4.0
191.14371	3.1
191.17943	3.8
193.54825	2.3
201.16389	12.4
218.16225	11.2
219.17436	10.6
236.17270	26.5
237.18552	4.8
254.18213	3.0
256.32959	2.2
273.45007	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	254.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61044	0.7
53.03920	1.9
55.01865	1.7
55.05503	17.1
56.05828	3.7
56.96551	2.0
57.03421	1.7
57.07058	3.7
57.42590	0.8
59.04979	4.8
63.50010	0.9
65.03902	1.0
67.05493	54.0
68.05810	1.4
69.03408	6.1
69.07050	22.4
70.03735	1.0
70.07392	1.1
71.04974	7.5
72.05334	1.5
79.05473	33.6
80.05791	2.0
81.07040	62.1
82.07372	7.6
83.04965	29.1
83.08605	6.2
84.05301	14.5
85.06527	5.7
91.05458	31.0
92.05786	1.8
92.08766	1.6
93.07024	46.1
94.07334	10.2
95.04947	8.0
95.08590	31.0
96.05262	1.3
96.08923	4.3
97.06502	6.3
99.04436	3.8
100.04765	1.4
100.07595	1.2
105.07012	44.4
106.07332	7.9
107.04917	1.0
107.08575	46.0
108.08902	8.1
109.06499	6.2
109.10141	100.0
110.06797	2.3
110.08138	0.8
110.10452	1.1
111.08031	3.8
112.08366	1.8
117.07001	12.3
119.08565	40.1
120.08882	7.5
121.06500	3.8
121.10133	21.0
122.10475	4.1
123.08032	3.5
123.11675	4.6
125.09604	1.5
129.06976	1.0
130.07784	1.2
131.08549	17.2
132.08861	2.0
133.10098	17.1
134.10443	7.0
135.08022	6.0
135.11673	25.3
136.11995	1.9
137.09596	2.3
138.10036	1.8
140.11421	1.0
141.03891	1.1
143.08481	1.6
145.10103	31.6
146.10442	1.1
147.11685	13.5
148.12036	2.2
149.09602	3.8
149.13275	5.0
150.09918	2.2
150.13568	1.2
151.11162	4.1
152.11551	1.0
153.09088	1.3
154.09323	1.5
157.10046	1.9
158.10590	1.6
159.11681	22.8
160.11967	1.3
161.13229	8.7
163.11145	13.7
165.12776	1.2
173.13243	8.1
175.14819	5.9
176.15167	2.3
177.12755	2.1
177.16354	2.0
188.15034	1.2
190.16637	1.7
191.17882	1.8
200.15157	1.4
201.16354	27.0
218.16205	4.7
219.17409	32.6
236.17142	8.6
237.18431	4.1
254.18221	3.8
254.24690	1.9
255.13498	5.8
262.59241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
54.82126	1.1
55.01861	1.5
55.05500	23.9
56.05825	3.1
56.96563	3.0
57.03436	1.8
57.07063	11.4
57.07285	1.1
59.04989	2.3
67.05488	36.3
68.05833	2.0
69.03416	28.5
69.07047	16.4
70.07387	3.0
71.04965	18.5
72.05290	2.2
79.05460	31.9
80.05784	4.7
81.07035	100.0
82.07365	16.3
83.04953	6.1
83.08577	3.0
85.06535	12.9
86.06834	1.8
91.05453	35.2
91.77480	1.3
92.05788	7.8
93.07021	70.3
94.07346	16.3
95.04961	12.4
95.08584	55.3
96.08915	10.1
97.06516	14.5
97.10125	1.9
98.06818	2.0
105.07008	64.9
106.07341	16.9
107.08568	77.5
108.08894	16.3
109.06507	16.0
109.10140	42.0
110.06810	5.5
110.10468	7.7
111.08044	7.1
112.08322	1.4
117.06992	14.1
118.07307	1.7
119.08543	46.2
120.08878	15.0
121.06470	4.9
121.10113	20.5
122.06843	1.4
122.10445	6.3
123.08050	7.5
123.11645	7.3
124.12012	6.2
125.09574	8.8
126.09966	1.5
127.11148	2.8
128.11488	1.6
129.07010	2.3
130.07765	3.0
131.08537	26.1
132.08897	6.6
133.10095	29.8
133.42435	1.4
134.10425	15.2
135.08006	2.9
135.11655	35.5
136.08362	3.2
136.12000	6.8
137.09567	2.0
138.09912	1.7
140.07780	1.6
143.08517	1.4
144.09230	5.6
145.10097	49.3
146.10439	5.3
147.11659	11.1
148.12001	9.8
149.09627	6.9
149.13216	9.3
150.09933	6.5
150.13605	1.8
151.11111	5.1
152.11511	8.3
158.10535	6.7
159.11693	31.4
160.12044	2.7
161.13229	21.2
162.10016	1.6
162.13544	2.3
163.11174	2.9
163.14674	1.8
171.11568	1.3
173.13237	14.5
174.13548	2.9
175.14760	6.0
176.11482	3.0
176.15054	9.7
177.16353	2.0
178.13033	3.1
179.14349	1.7
189.16336	13.2
190.16682	16.0
191.17909	2.7
194.16232	1.8
200.15175	2.8
201.16331	25.1
207.17387	6.1
208.17775	8.9
218.16190	6.8
219.17424	12.7
236.17278	14.0
237.18376	8.4
254.18234	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	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.5
55.01849	7.0
55.05495	7.1
56.96560	1.2
57.03427	4.6
57.07038	1.4
59.04985	5.0
61.02906	7.8
67.05472	1.4
68.99776	2.0
69.03413	13.4
69.07040	1.5
70.06594	1.2
71.01335	75.8
71.04963	4.7
72.93779	1.6
73.02906	3.0
73.06541	6.2
74.06879	2.1
74.09694	8.0
75.04455	16.1
76.34679	1.1
79.05482	2.5
81.03416	2.5
81.07022	5.0
83.04961	2.6
85.02892	25.5
86.03220	2.7
86.06796	1.1
87.04475	4.6
91.05451	2.7
91.07560	1.2
92.49162	1.2
93.07013	2.8
95.04959	4.7
95.08562	2.8
97.02853	8.7
97.06487	1.2
98.03206	1.3
98.97608	1.4
99.00809	4.8
99.04424	5.5
101.02362	6.3
102.52745	1.3
103.03918	30.8
105.07014	2.3
109.02836	1.4
109.10163	1.5
110.07213	1.1
111.00781	5.7
111.04453	1.3
113.02367	5.1
113.96383	3.0
117.01840	7.7
119.03323	1.4
119.04907	2.0
119.08539	1.8
122.17272	1.3
123.04348	2.0
127.00249	5.1
127.03902	5.6
128.04156	1.5
129.01813	2.9
131.03377	61.2
131.97411	2.4
133.04930	6.8
136.07562	2.2
141.01793	6.7
143.03401	1.9
145.01285	7.2
145.04939	15.3
145.10077	1.3
151.23807	1.3
155.97552	1.4
157.04912	18.6
159.02856	100.0
163.06017	1.9
170.91420	1.5
173.04466	5.1
176.05551	1.3
176.10637	1.5
176.55377	1.3
177.04008	1.9
188.92409	14.2
191.05490	11.1
201.03967	2.2
219.04948	66.4
230.93481	2.8
237.06032	14.4
254.10204	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	253.1797
Annotation	(+)-Epitodomatuic acid
Peak:m/z	Relative Intensity
52.55101	1.1
53.03941	2.9
55.01861	5.4
55.05508	10.4
57.07069	100.0
58.66211	0.9
59.04991	1.7
61.43883	1.1
67.05502	11.4
68.78226	1.0
69.03413	12.3
69.07062	12.4
70.72804	1.2
71.01347	10.7
71.04977	11.4
74.48331	1.1
77.86419	1.0
79.05478	20.0
81.07039	50.1
83.04968	1.7
83.08588	1.5
83.11324	1.2
85.06531	46.9
91.05466	29.1
93.07024	64.5
94.78086	1.1
95.04948	15.0
95.08607	10.7
96.88318	1.2
97.06515	12.7
99.04497	1.4
105.04490	1.5
105.07021	27.5
107.08584	29.6
109.06514	13.0
109.10175	9.9
111.08076	5.4
117.07001	5.6
119.08579	12.6
121.06521	1.6
121.10132	7.8
123.08086	2.4
123.11682	2.7
125.09608	2.2
127.07561	13.1
129.06915	1.9
131.08488	4.0
133.10114	19.1
135.08034	15.9
135.11668	1.7
139.11176	6.0
143.10617	1.7
145.10031	1.9
149.09625	1.6
151.11168	9.0
157.10152	1.5
159.11714	2.6
161.09616	1.9
162.90402	1.2
167.10699	2.0
175.14781	2.8
189.16370	2.8
217.15851	7.7
235.16937	10.8
236.91437	1.2
253.17905	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	253.1796
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
53.03939	5.3
55.01852	12.4
55.05507	27.0
57.07063	2.9
59.04978	10.0
64.33291	2.2
67.05492	24.1
69.03413	18.7
69.07062	18.1
70.73812	2.4
71.04980	40.8
79.05470	47.2
81.07040	84.0
83.04959	14.4
83.08597	4.1
85.06519	5.4
87.44551	2.2
91.05455	57.5
93.07023	100.0
95.04935	16.6
95.08593	27.7
97.06482	9.0
99.04399	9.4
99.08040	8.5
105.07018	56.2
107.04943	3.8
107.08588	48.7
109.06509	23.5
109.10134	23.2
111.08049	11.7
117.06976	10.9
119.08565	51.3
121.06505	11.0
121.10114	45.1
123.08028	11.6
123.11681	3.4
125.09588	3.7
127.11163	21.4
128.06235	3.9
129.06985	8.7
131.08543	48.1
133.10100	23.8
135.08078	3.2
137.09572	14.1
137.13177	4.9
142.07709	4.3
143.08517	9.8
145.10075	13.4
147.08028	14.9
147.11627	23.9
149.09599	76.9
151.11145	5.2
155.10669	4.2
157.10091	12.1
159.11644	14.0
161.09601	4.3
161.13272	3.0
165.09001	2.8
165.12714	25.8
175.11185	3.4
177.12726	3.1
179.14227	3.0
189.12679	9.1
189.16345	3.4
190.03853	2.4
199.14905	8.5
207.13797	43.0
216.86613	2.4
217.15900	10.5
235.16866	20.6
253.14267	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	253.1795
Annotation	Cyperusol D
Peak:m/z	Relative Intensity
51.84005	1.1
53.03944	1.2
55.05502	8.5
57.07059	1.3
59.04995	13.1
60.29811	1.2
67.05495	43.4
69.03421	1.5
69.07069	6.2
71.04978	1.6
79.05475	28.2
81.07040	100.0
83.04966	2.5
91.05467	10.3
93.07033	12.0
95.04948	3.0
95.08578	5.7
97.06535	3.0
105.07022	18.1
107.08560	11.3
109.06534	7.3
109.10146	60.7
114.37091	1.7
115.45506	1.4
117.07032	1.7
119.08535	10.5
121.10088	2.8
125.09652	3.1
131.07678	1.5
131.08601	6.3
133.10088	13.3
135.11696	2.1
143.08499	2.3
145.10121	2.7
147.11656	3.2
149.09570	1.6
149.13200	1.5
157.10132	2.6
159.11711	3.3
161.09601	1.6
175.11244	1.7
199.14749	1.6
217.15869	6.2
235.16946	3.1
253.18008	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	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03930	2.4
54.55470	1.3
54.81733	1.3
55.01850	7.2
55.05507	15.9
56.86414	1.2
57.03417	6.6
65.03925	1.7
67.05493	33.9
69.03400	6.5
69.07054	10.7
71.04959	10.2
73.02890	1.3
79.05479	35.5
81.07041	100.0
82.07808	2.1
83.04960	7.3
83.08591	3.8
85.06522	3.8
91.05465	34.2
93.07023	53.5
95.04948	10.1
95.08588	18.3
97.06510	24.6
98.07285	1.6
99.04442	3.4
99.68188	1.3
105.07011	31.2
107.03551	1.4
107.08583	24.2
107.47583	1.4
108.09357	6.7
109.06510	11.0
109.10139	41.4
111.08083	11.2
115.05443	1.8
117.07007	13.7
119.08543	28.2
121.06450	2.9
121.10111	10.5
123.08038	7.5
123.11677	3.5
125.09612	2.4
129.06987	2.2
131.08524	16.1
133.10109	14.9
135.08011	2.6
135.11627	6.1
137.09616	3.0
141.09102	9.8
142.07715	3.1
143.08534	7.9
145.10083	9.3
147.11647	5.9
149.09639	2.9
151.11148	3.2
157.10115	9.8
159.11670	14.6
161.13202	2.0
173.13219	1.9
177.12703	3.6
198.46895	1.8
201.16360	2.4
217.15860	3.8
219.17451	2.7
231.90886	1.6
235.16908	3.5
253.17924	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	253.1796
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
54.81092	3.3
55.01861	4.3
55.05506	26.7
57.07049	4.1
59.04988	7.5
67.05492	59.7
69.03410	4.7
69.07060	31.3
79.05478	31.5
81.06599	4.8
81.07043	100.0
83.04964	16.7
83.08582	4.6
85.06520	5.4
91.05450	26.4
91.28560	2.8
92.09392	3.3
93.07028	63.1
95.04948	7.2
95.08590	38.2
97.06499	17.6
101.05996	6.8
104.01350	2.9
105.06390	4.7
105.07032	65.7
107.08583	63.1
109.06506	13.7
109.10134	77.9
115.07520	3.7
115.62156	3.7
115.62914	3.0
117.07031	3.9
119.08569	41.3
121.10136	22.1
123.08051	15.8
123.11668	5.4
129.07013	3.6
131.08562	19.5
133.10112	44.6
135.11650	12.8
137.09601	13.2
142.07771	4.8
143.06964	5.1
145.10114	6.6
147.11649	18.9
149.13275	30.1
151.11136	6.4
157.10085	12.5
159.11649	6.6
161.09528	11.9
161.13263	5.9
163.11153	3.4
169.08617	4.3
175.14841	4.3
177.28198	3.7
178.93529	2.8
179.10701	4.0
189.16304	6.8
197.11684	6.4
217.15826	6.0
235.16882	15.0
253.17908	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	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03928	3.2
54.81295	1.4
55.01849	2.1
55.05504	17.5
57.03433	14.1
57.07066	13.9
59.04979	2.1
62.09109	1.2
65.03922	1.3
65.16527	1.3
67.05493	31.6
67.35211	1.1
69.03404	8.5
69.07055	16.5
71.04969	6.7
79.05474	32.9
81.07040	100.0
81.67379	1.4
83.04964	6.9
83.08608	2.6
85.06524	10.0
91.05462	24.9
93.06486	1.9
93.07033	31.2
95.04942	11.3
95.08570	19.1
97.06494	11.6
99.04414	2.3
105.07014	40.1
107.08578	27.8
109.06497	19.3
109.10141	24.0
111.08080	2.8
117.06992	7.5
119.08572	27.3
121.10114	16.9
123.08055	8.8
123.08860	1.5
123.11704	2.2
125.09622	1.7
129.06958	2.8
131.08557	12.2
133.10107	18.7
135.08046	1.8
135.11684	7.2
135.95006	1.4
137.09570	2.4
144.09303	2.5
145.10126	13.2
147.11667	9.6
149.09566	1.7
149.13232	1.9
151.11171	8.5
157.10101	2.1
159.11670	9.3
161.09610	2.2
161.13261	2.0
163.11113	2.1
168.33952	1.4
173.13255	1.5
175.11145	1.5
175.14821	2.6
189.16388	1.9
199.14807	2.6
201.16315	2.6
217.15793	5.4
235.16920	7.4
253.17914	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	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.99721	1.7
53.03929	2.4
54.51688	1.8
55.01844	2.4
55.05512	19.5
55.43336	2.0
57.07044	2.8
59.05007	3.0
67.05503	18.7
69.03423	3.9
69.07056	12.7
71.04972	13.6
73.06550	5.5
76.90552	2.2
78.62688	2.0
79.05479	23.5
81.07045	57.8
81.65277	2.3
83.04970	22.9
83.08601	3.9
85.06560	2.2
91.05461	43.4
92.09013	5.7
93.07018	37.4
95.04943	22.1
95.08600	20.8
97.06487	3.3
99.04433	5.6
105.07027	44.2
107.08572	37.7
109.06501	12.1
109.10137	21.2
111.08075	2.9
117.07015	14.4
119.08565	100.0
120.32396	2.3
121.06445	2.7
121.10132	18.5
123.08046	3.8
125.09601	5.3
128.06255	2.8
129.06956	3.7
131.08522	18.7
133.10120	45.5
137.09618	3.8
142.07724	3.1
143.08557	5.6
145.10104	18.2
147.08029	4.9
147.11693	10.7
151.11139	10.0
155.10666	2.8
157.10138	14.7
159.11670	3.9
161.09610	3.1
161.13225	4.6
163.11185	3.9
163.14735	2.7
167.10532	2.5
171.11693	3.5
173.13159	3.9
175.11140	2.5
175.14786	3.0
189.16348	4.4
199.14781	4.6
207.17365	2.9
217.15865	16.5
235.17017	18.2
248.20593	2.3
253.17946	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	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.61954	1.9
54.16204	2.1
55.05497	14.4
57.07050	2.1
59.04976	3.9
67.05493	28.9
69.07055	17.4
71.04970	5.2
79.05484	30.2
81.07040	91.8
83.04933	4.5
83.08604	3.2
85.06531	100.0
91.05450	16.0
93.07018	49.3
95.04965	5.0
95.08594	37.9
97.06512	10.1
99.04434	13.1
105.07000	31.6
107.08594	35.5
109.06503	38.3
109.10146	47.3
111.08057	3.6
117.07010	5.1
119.08556	67.6
121.10125	70.3
123.08040	12.8
127.07533	28.2
127.11130	2.7
131.08525	9.5
133.10135	29.9
135.08080	3.6
135.11691	23.8
137.09586	13.7
143.08554	4.0
144.09372	2.6
145.10106	3.5
147.11655	13.3
149.13260	4.2
157.10109	19.3
159.11700	31.1
161.09642	3.2
173.13248	4.0
175.11148	5.2
175.14751	16.9
177.12781	10.5
179.10692	5.5
189.16354	5.5
199.14795	12.8
212.97589	2.8
217.15784	13.1
235.16866	31.0
241.05963	2.3
249.77544	2.3
253.17844	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	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.85681	1.2
53.03948	2.4
55.05504	14.0
57.07067	1.6
57.26448	1.4
57.90924	1.9
59.05013	1.6
67.05515	14.2
67.68905	1.6
69.03423	3.7
69.07060	10.4
71.04984	8.3
73.06549	2.4
79.05479	14.7
81.07047	33.1
83.04974	24.5
85.06527	2.2
91.05457	28.9
92.09043	2.3
93.07024	24.4
95.04966	9.0
95.08593	14.6
98.04484	1.6
105.07029	31.4
107.08564	20.3
109.06523	7.3
109.10165	10.6
115.05463	2.0
117.07037	15.1
119.08569	100.0
121.10143	8.0
123.08060	3.0
125.09614	2.3
128.06206	3.2
129.06981	2.1
131.08551	3.8
133.10112	32.5
135.08058	2.4
135.14679	1.8
142.07779	3.5
143.08578	6.7
145.10161	13.2
147.11700	8.3
157.10123	11.6
159.11694	2.1
161.09602	2.9
163.11211	3.8
167.10797	2.7
173.13208	2.1
175.11140	1.7
199.14827	3.0
217.15887	6.9
235.16942	9.2
253.17949	10.6
272.30002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05490	23.8
55.05722	2.9
56.09700	3.1
57.03417	3.3
57.07059	23.6
59.04992	4.4
61.93281	3.7
65.43567	3.1
67.05482	19.7
67.85501	3.2
69.03406	23.3
69.07059	34.0
71.04973	21.5
71.85647	3.7
71.93404	3.5
76.56199	3.7
79.05472	30.4
81.07042	75.5
83.04937	5.9
83.08595	7.2
85.06519	16.7
91.05463	36.2
92.63995	4.5
93.07024	100.0
95.04936	8.2
95.08598	51.3
97.06511	18.0
102.04648	4.1
105.07024	73.2
107.08578	58.5
109.06492	24.5
109.10135	25.4
111.08076	4.9
114.57037	3.6
117.07013	5.8
119.08549	65.7
121.06522	7.1
121.10092	29.2
123.08054	8.5
123.11633	7.7
125.09557	4.6
129.06976	5.1
131.08559	24.7
133.10112	59.8
135.07016	3.8
135.08011	25.7
135.11681	29.6
137.09570	6.0
139.07527	35.6
143.08556	4.9
145.10072	5.3
147.08049	4.1
147.11647	25.4
149.09595	17.6
149.13293	5.7
151.11205	27.7
157.10057	4.8
159.11671	16.0
161.09599	7.6
161.13242	5.1
173.13208	8.6
175.14789	37.0
177.12688	15.5
179.10741	12.2
180.92404	4.3
189.16331	35.8
193.15881	29.7
199.14835	5.8
207.17421	4.5
217.15834	20.5
235.16896	45.2
253.17957	4.0
256.60214	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	253.1798
Annotation	12-Hydroxy-4-cadinen-15-oic acid
Peak:m/z	Relative Intensity
55.05499	8.6
59.04980	1.8
67.05511	3.3
69.07060	10.4
69.52295	1.5
70.46394	1.5
71.04965	2.9
79.05475	9.5
81.07040	17.1
83.04973	18.4
83.08621	2.3
91.05480	13.9
93.07027	100.0
95.04951	3.3
95.08581	24.1
97.06506	17.6
105.07018	50.4
107.08580	40.1
109.06538	4.1
109.10130	8.4
117.06998	3.2
118.98818	1.6
119.08562	43.2
121.06464	8.9
121.10100	17.4
123.08067	2.2
131.08583	8.2
133.10109	36.6
135.08061	3.1
135.11673	38.4
137.09612	3.3
139.07529	49.3
147.11710	18.9
149.09590	2.6
149.13249	8.6
151.11209	2.2
153.09064	2.6
159.11705	3.4
161.09659	1.9
173.13260	10.7
175.14795	51.7
177.12724	12.8
179.10620	13.7
179.14632	2.0
189.16389	29.1
193.15836	4.3
199.14804	2.7
206.63922	1.8
207.17439	3.1
217.15900	9.4
230.58678	1.7
235.16870	37.7
253.17976	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	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.49893	1.1
52.87683	1.0
53.03936	0.9
55.01863	1.2
55.05505	13.2
57.07071	2.3
59.04974	1.5
67.05488	9.9
69.03417	4.7
69.07058	18.2
71.04972	2.7
79.05465	12.0
81.07043	24.4
83.04960	21.2
83.08615	7.1
84.32133	1.2
85.02888	5.9
85.06529	2.2
91.05476	19.3
93.07025	100.0
95.04961	2.7
95.08587	31.0
97.06506	22.1
99.04472	1.5
105.07018	53.4
107.08584	46.7
109.06505	5.0
109.10146	12.0
111.08024	1.8
117.06992	1.7
119.08558	49.2
119.26690	1.3
121.06484	9.9
121.10126	19.7
123.08089	2.3
123.11627	8.8
131.08545	9.1
133.10110	49.8
135.08023	4.7
135.11678	44.8
137.09590	10.5
139.07523	56.6
144.09325	1.3
145.10109	2.5
147.11667	20.2
149.09584	2.3
149.13246	12.4
151.11192	5.1
153.09076	2.5
157.10094	2.9
159.11678	8.4
161.09576	6.8
173.13239	14.8
175.11259	1.5
175.14783	56.8
177.12727	20.1
179.10680	18.6
189.16370	32.2
193.15871	39.1
195.13782	6.0
199.14763	1.7
207.17464	7.0
217.15891	15.1
235.16873	30.6
253.17926	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	253.1796
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
53.03932	7.2
54.59609	1.3
55.01869	12.3
55.05505	16.5
57.03422	2.2
59.04986	2.1
67.05489	16.3
69.03417	11.7
69.07054	12.2
71.04980	31.5
77.03927	1.6
79.05467	36.5
81.06601	2.6
81.07043	58.2
83.04964	7.0
83.08604	6.8
88.02790	1.5
91.05463	48.1
93.07024	100.0
95.04960	15.3
95.08584	20.3
97.06522	9.3
97.10149	1.8
99.08049	3.7
103.05444	2.0
105.07014	33.2
107.08567	24.7
109.06511	12.5
109.10137	9.6
111.08057	17.5
113.09639	1.9
116.06161	2.0
117.06995	3.6
119.08556	23.5
121.06480	3.7
121.10117	12.9
123.08042	2.2
123.11701	2.5
125.09592	3.6
125.15530	1.7
127.11155	21.3
128.06293	2.6
129.06995	6.1
131.08554	24.7
133.06418	1.9
133.10127	15.4
135.07997	1.8
135.11630	2.3
137.09592	8.9
141.09108	1.8
142.07776	1.9
143.08553	6.2
145.10103	3.6
147.08009	1.7
147.11678	6.8
149.09622	47.6
151.11143	2.9
153.09061	2.7
155.10622	3.7
157.10083	8.6
159.11626	4.0
161.09557	3.8
161.13206	2.3
162.05402	1.7
173.13367	2.0
199.14751	3.5
217.15907	8.9
235.16866	17.0
253.17882	3.1
257.50381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03946	3.1
55.05505	32.1
56.97242	1.9
57.03434	3.1
57.07064	1.8
59.04990	8.3
67.05497	33.2
69.03418	19.3
69.07047	22.5
71.04972	20.2
73.06535	2.3
79.05470	39.1
81.07043	100.0
83.04951	23.0
83.08613	4.9
84.37978	2.4
85.06515	3.9
91.04958	2.5
91.05474	37.4
92.09216	2.9
93.07020	49.1
95.04925	20.5
95.08590	34.7
97.06503	20.1
97.10161	2.4
98.30947	2.0
99.04457	5.2
105.07011	58.3
107.04894	2.0
107.08573	50.8
109.06500	22.1
109.10142	32.7
111.08071	9.7
115.05343	2.1
117.06998	11.6
119.08569	66.6
121.06487	4.1
121.10105	20.9
123.08039	14.7
123.11653	4.1
125.09615	13.0
129.06989	10.0
130.07863	2.6
131.08533	18.1
133.10094	34.2
135.08075	7.6
135.11700	9.2
137.09602	11.9
142.07790	3.3
143.08553	5.3
145.10126	16.0
146.10568	2.3
147.08090	3.6
147.11642	16.5
149.09621	14.2
151.11186	11.2
157.10110	13.2
159.11693	10.7
161.09633	4.3
163.11148	10.7
165.12726	4.3
175.11159	4.5
175.14832	4.8
177.12772	2.7
179.10773	2.2
189.16386	4.4
192.45222	2.2
193.12262	4.0
199.14784	3.4
217.15810	12.6
235.16826	16.6
253.17929	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	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.90056	2.1
55.01865	2.4
55.05503	16.9
57.03429	15.5
57.07063	10.9
58.71503	1.7
59.04994	4.1
62.79916	1.8
62.91274	1.7
67.05492	34.2
69.03414	7.9
69.07058	20.0
71.04663	1.8
71.04972	17.2
73.40688	1.8
79.05480	40.3
81.07044	100.0
83.04972	11.0
83.08601	4.3
85.06543	10.4
91.05473	27.1
93.07033	43.7
95.04941	10.9
95.08580	29.7
97.06530	15.0
99.04441	24.5
105.07023	48.5
107.08578	40.7
109.06530	17.6
109.10168	20.9
111.08085	8.0
117.07001	4.1
119.08559	33.2
121.10126	18.0
123.08050	8.7
128.06224	2.1
131.08554	15.7
133.10127	22.5
135.11697	4.8
137.09662	3.1
143.08571	2.8
145.10120	14.9
147.11673	4.8
149.09625	2.8
151.11162	9.6
157.10115	8.8
159.11688	9.3
161.09537	2.9
161.13161	2.4
173.13313	3.5
175.14801	14.5
199.14661	4.0
217.15941	8.2
235.16980	13.0
253.17833	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	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
54.50944	1.9
55.01860	6.7
55.05509	22.7
57.03431	2.4
57.07060	2.6
59.04991	11.7
65.93907	1.7
67.05492	24.6
69.03425	13.3
69.07050	14.7
71.04961	12.4
77.65598	1.4
79.05474	39.1
81.07033	100.0
83.04958	10.3
83.08611	1.8
85.06555	2.5
91.05458	44.5
92.08710	2.3
93.07024	54.2
95.04952	26.1
95.08575	31.3
95.09129	2.3
97.06509	18.3
99.38461	1.8
103.05426	1.6
105.07012	71.3
107.04955	2.3
107.08584	45.4
109.06503	19.9
109.10143	15.7
111.08072	3.5
117.06995	12.6
119.08563	55.4
121.06489	2.3
121.10091	13.2
123.08051	3.7
125.09616	7.3
128.06250	2.5
129.06987	2.9
130.07701	2.0
131.08545	14.2
133.10107	29.6
135.08023	4.0
135.11720	4.2
137.09605	6.4
142.07790	4.0
143.08543	10.1
145.10112	14.7
147.08044	2.5
147.11713	6.7
149.09612	3.2
151.11206	4.0
157.10112	9.7
159.11662	6.8
161.09572	2.4
163.11136	9.8
171.11652	2.3
173.13158	2.6
175.11125	3.0
175.14767	2.2
176.88321	1.8
177.12686	2.6
189.16350	3.1
199.14833	3.4
217.15866	3.1
235.16931	21.6
253.17973	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	252.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46334	1.0
53.03946	1.0
55.01870	2.5
57.03424	8.0
59.37716	0.9
60.35719	0.9
61.02897	11.8
63.15347	0.9
67.05496	1.9
67.37441	1.0
68.84908	0.9
69.03422	22.7
69.07061	1.4
70.11514	0.9
71.04977	2.3
73.02906	5.0
73.30495	0.9
79.05486	1.4
81.03387	11.1
81.07060	1.7
83.04982	6.3
85.02889	100.0
85.06554	1.5
87.04466	4.2
91.03958	4.4
93.07047	2.2
95.08590	1.6
97.02873	22.7
97.06483	1.1
98.97556	1.2
99.04442	5.8
105.07016	2.3
107.08554	1.3
109.02872	6.5
113.05976	1.2
115.77225	1.0
122.09692	4.1
127.03886	16.8
129.05434	4.4
145.04936	23.6
145.10071	1.0
157.05013	1.2
159.63152	1.1
163.06029	6.7
163.97685	2.0
167.97466	1.2
180.08644	1.3
205.98761	1.9
229.00201	2.4
252.12096	1.2
252.19606	2.1
264.25430	1.3
265.86630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01855	1.9
55.05497	0.9
56.96561	1.3
57.03423	7.6
59.75558	0.9
61.02914	10.7
66.91769	0.8
67.05477	1.2
69.03411	23.4
69.07039	3.6
71.04958	1.7
72.93783	0.8
73.02900	6.1
74.24911	0.8
79.05475	1.2
81.03404	8.1
81.07035	3.6
83.04957	1.7
85.02888	100.0
85.06508	1.2
87.04452	4.7
91.03929	5.2
91.05448	3.3
93.07015	2.1
94.07410	1.1
95.04977	1.6
95.08590	1.1
97.02862	18.7
97.06506	0.8
98.97546	1.3
99.04454	5.0
104.26849	0.9
105.07035	2.2
106.07304	1.2
107.08601	2.2
109.02850	8.6
109.06499	1.2
119.08511	1.1
122.09631	9.7
127.03874	18.4
129.65590	0.9
131.00159	1.0
131.08560	1.1
145.04929	24.0
146.10490	1.2
151.69102	0.9
161.40674	0.9
163.06026	4.2
163.97728	1.7
187.23065	0.9
196.97321	1.4
199.09521	1.1
205.98766	5.1
214.98508	1.7
229.00072	3.6
246.78459	0.9
252.12192	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01855	2.9
55.05505	13.8
57.03227	0.4
57.03433	8.0
61.02914	12.0
66.55056	0.5
66.96019	0.5
69.03068	1.0
69.03414	20.8
71.01348	0.6
71.04958	1.2
73.02885	4.2
73.06535	55.2
81.03397	8.5
82.37098	0.5
83.01292	0.6
85.02889	100.0
87.04462	2.6
87.71709	0.5
91.03936	3.0
92.09245	0.7
97.02872	21.2
99.04447	5.2
101.02342	0.6
103.03900	0.7
107.08555	0.6
109.02865	8.7
115.03905	0.9
115.39702	0.5
120.08138	0.9
121.24542	0.6
127.03894	13.7
145.04926	14.9
163.05992	1.4
172.23801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.03938	2.0
54.81603	1.9
55.05503	16.5
57.03417	2.2
57.07064	7.8
58.55195	1.5
61.08510	1.6
62.70131	1.7
67.05492	26.9
69.03426	8.4
69.07053	30.3
71.04993	4.5
75.66561	1.8
79.05473	20.5
81.07037	49.2
83.04959	10.6
83.08596	4.5
85.06500	1.9
91.05460	31.1
93.07023	100.0
95.04939	4.7
95.08580	51.7
97.06488	4.0
99.08034	8.5
101.06012	18.3
105.07008	65.2
107.08576	73.6
109.06529	9.8
109.10146	50.3
111.04393	1.8
111.05658	2.0
113.05991	3.2
115.07566	4.9
117.06969	4.8
119.08565	43.6
121.06503	2.4
121.10125	31.6
123.08016	19.6
123.11694	11.2
125.05981	2.6
125.07072	2.3
129.05429	3.5
131.08551	10.8
131.10046	2.4
133.10106	64.5
135.07988	2.4
135.11659	18.0
137.09570	3.0
137.13203	2.0
141.09047	2.7
142.07722	5.0
143.07010	2.2
143.08549	4.8
145.10110	2.7
147.11665	28.3
149.13239	58.0
151.11160	9.8
157.10088	3.6
159.11742	3.7
161.09546	10.9
161.13245	21.4
162.76956	2.4
169.08572	12.5
171.11729	2.6
175.11148	4.2
175.14763	3.0
179.10646	14.6
189.16339	27.1
197.11717	15.5
199.14879	2.8
207.17345	4.1
217.15878	7.6
235.16862	10.3
253.10416	4.9
253.17879	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	252.1088
Annotation	Deoxyadenosine
Peak:m/z	Relative Intensity
55.01849	0.2
55.05507	0.2
57.03414	0.2
60.39550	0.2
67.05502	0.3
69.03429	1.3
71.04977	1.8
73.02897	2.2
73.06530	0.2
76.90421	0.1
79.05456	0.2
81.03387	0.4
83.04974	0.8
85.02878	1.0
85.06538	1.9
92.08659	0.2
93.07001	0.2
94.04025	0.3
95.04967	0.4
97.02869	0.3
97.06502	0.2
99.04430	2.5
105.09209	0.2
107.04906	0.2
107.08577	0.3
109.06528	0.2
117.05482	3.3
119.03507	0.9
122.06008	0.7
124.07529	0.4
131.07005	1.0
136.06166	100.0
137.04550	0.4
146.06029	0.2
160.07558	0.3
199.09755	0.3
205.98804	0.2
206.08113	1.3
217.06961	0.2
234.07581	0.4
252.08392	0.3
252.10748	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	251.1639
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
53.03941	4.1
55.01862	12.1
55.05501	27.9
56.94699	3.4
57.07066	86.7
57.62114	2.3
59.04988	4.8
65.03918	4.4
67.05489	51.0
67.67744	2.7
69.03413	70.7
69.07059	29.8
70.55113	2.8
70.56631	2.8
71.04965	32.9
79.05470	55.9
80.03353	3.0
81.07035	100.0
83.04960	16.7
85.02906	4.0
85.06528	28.4
91.05456	73.5
92.64451	3.4
93.07027	78.2
95.04957	33.8
95.08583	51.5
97.02867	3.8
97.06506	18.7
99.04418	36.4
103.59167	3.4
105.07015	56.7
107.04910	4.6
107.08566	41.1
109.06502	30.5
109.10139	35.6
111.04418	3.4
111.08046	6.9
113.09650	6.0
117.06979	6.3
119.08529	34.3
119.50816	3.6
121.06496	18.8
121.10085	19.3
123.08045	23.6
125.05936	3.6
125.09576	3.9
129.06975	4.5
131.08543	36.1
132.30536	3.2
133.10095	18.2
135.08015	5.5
137.09604	6.1
142.07780	7.0
143.08531	6.4
144.09285	3.1
145.10124	27.8
147.08031	3.9
147.11618	21.6
149.09584	23.8
157.10103	7.0
159.11627	6.5
161.09648	3.7
163.11162	3.4
165.08989	6.5
171.11662	5.2
173.13251	12.3
175.11194	5.5
187.14787	6.7
191.14279	4.5
197.13322	3.2
200.72058	2.8
205.15866	12.7
215.14224	13.8
225.12502	3.4
233.15279	20.5
234.77148	3.0
251.16336	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	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.00304	1.4
53.03942	6.6
55.01867	3.7
55.05510	19.0
65.03917	6.6
67.05492	26.3
69.03426	6.0
69.07053	11.7
71.04973	3.1
79.05474	58.1
81.07038	100.0
83.04985	6.4
83.08617	2.0
91.05458	45.3
91.06013	2.6
92.06270	1.9
92.08692	3.4
92.63887	1.4
93.07033	38.7
94.07832	1.8
95.04949	19.6
95.08576	24.0
96.05708	2.2
97.06530	2.0
97.10163	1.8
105.07014	57.0
105.07657	2.8
107.04916	2.3
107.08577	37.5
109.06511	24.8
109.10131	7.7
110.07310	1.8
111.08128	1.8
115.05427	1.6
116.06255	2.0
117.07000	11.3
118.07764	1.5
119.04938	8.2
119.08547	36.5
120.09374	3.3
121.06472	3.1
121.10083	11.5
123.08044	10.2
128.06265	3.3
129.07008	7.3
131.08519	11.0
133.10103	13.3
135.08058	6.7
135.11690	2.8
137.09645	2.7
138.10426	2.0
141.07004	2.5
142.07808	3.1
143.08585	8.4
145.10110	12.4
147.08051	2.0
147.11682	6.6
147.89548	1.5
149.09677	5.1
151.07602	1.8
157.10103	7.6
159.11655	12.0
161.09666	2.8
161.13264	7.1
162.13922	2.2
173.13196	2.7
175.14783	3.3
177.12831	1.6
191.17964	5.5
196.52679	1.6
199.14790	2.0
217.15805	1.7
225.80354	1.6
251.16382	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	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03933	3.7
55.01858	4.8
55.05500	19.8
57.03424	2.5
57.07069	3.4
58.43386	2.6
59.04974	4.8
65.03907	8.8
66.10809	1.9
67.05492	32.4
69.03400	5.0
69.07054	16.5
71.04988	7.5
74.11756	1.9
75.24197	2.3
79.05480	64.4
81.07038	100.0
83.04959	23.7
83.08586	2.8
85.06522	2.2
87.19511	2.2
89.89847	2.3
91.05458	65.6
93.03398	15.7
93.07019	54.4
95.04923	22.5
95.08575	35.9
97.06479	5.4
99.04420	11.0
105.04412	2.5
105.06370	4.1
105.07018	94.5
107.04928	3.7
107.08586	68.2
108.58006	2.1
109.06500	28.6
109.10135	12.9
111.08043	3.4
115.05405	3.3
117.07003	17.4
117.14034	2.0
119.04907	3.1
119.08571	55.0
121.06448	4.9
121.10116	24.3
123.08027	11.2
126.38943	2.6
128.06209	8.6
129.06984	16.2
130.07718	2.4
131.08539	31.5
133.06451	3.9
133.10086	36.7
134.07272	2.1
135.08041	40.7
137.09612	4.3
141.06993	3.9
141.09111	2.6
142.07761	13.5
143.08546	19.0
145.10091	23.2
147.08041	15.5
147.11691	14.6
149.09586	12.9
151.11143	2.1
156.09375	3.5
157.10135	19.5
159.11662	12.1
161.09581	23.6
162.10416	3.0
163.11116	2.8
165.09076	3.5
173.09598	3.4
173.13150	3.1
175.11105	3.7
175.14818	2.9
187.14825	2.7
189.16316	2.3
199.14784	3.3
205.15907	2.3
217.15836	17.3
233.15332	10.5
251.16389	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	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05508	25.1
57.03423	4.2
59.05002	4.4
60.36317	3.2
60.93986	3.3
65.62868	3.2
67.05490	27.3
69.03434	7.7
69.07049	21.3
71.04977	56.8
74.02433	3.0
75.58405	2.7
79.05470	26.3
81.07030	54.4
83.04974	8.0
85.06523	5.9
91.05460	31.6
93.07030	48.9
95.04963	15.8
95.08573	37.1
97.06519	13.6
99.04436	100.0
103.05453	3.4
103.25886	3.0
105.07018	76.9
107.08570	41.6
109.06508	29.2
109.10158	17.8
111.04400	3.8
114.50340	3.4
117.07025	17.5
119.08577	32.8
121.06488	32.4
121.10127	20.8
123.08028	23.9
129.06967	6.9
131.08548	28.2
133.06528	3.6
133.10100	23.9
135.07050	3.3
135.08015	6.8
135.11693	3.5
142.07776	3.3
145.06442	3.5
145.10112	34.7
147.08018	4.9
147.11678	35.4
148.08870	3.5
149.09579	6.6
155.08528	4.4
156.09358	3.2
157.10094	5.8
159.11703	7.8
161.09593	6.5
161.13269	3.8
163.11209	23.3
164.30348	3.1
165.12718	3.5
171.11758	3.2
173.13290	18.3
175.11121	6.2
177.09184	3.8
183.97557	3.7
187.14809	7.9
191.14343	6.6
191.86942	3.3
197.13045	4.5
205.15942	17.2
215.14296	7.7
233.15282	28.7
251.16376	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
53.35278	2.7
55.01841	4.0
55.05507	27.8
57.03421	3.0
57.07090	3.0
59.05002	5.1
64.33926	3.5
65.03932	3.7
67.05501	25.1
69.03404	5.9
69.07050	23.7
70.24813	3.7
71.04979	21.1
79.05479	57.0
81.07041	76.0
83.04971	20.9
85.06525	8.3
91.05459	47.0
93.07024	54.2
94.22506	3.2
95.04965	32.6
95.08597	37.3
97.06467	4.4
99.04442	6.0
105.07013	81.6
107.04922	6.5
107.08594	44.0
109.06506	21.1
109.10128	8.7
111.08110	4.1
114.38053	4.9
117.07001	17.9
119.08565	58.0
121.06483	7.9
121.10125	25.4
123.08054	22.2
123.11706	6.7
129.07025	7.9
131.08582	34.7
133.06506	3.5
133.10124	25.4
135.04399	43.1
135.08031	21.6
135.11667	8.7
137.09627	5.2
142.07767	5.1
143.08617	4.9
144.09340	4.0
144.76132	4.8
145.10088	43.9
147.07965	6.4
147.11671	72.5
149.09579	15.9
151.11111	5.7
151.81306	3.8
153.05455	22.4
155.08505	6.7
157.10117	33.6
159.11720	5.6
163.11180	19.7
173.09636	4.6
173.13257	22.1
175.11153	92.0
187.14778	16.4
189.12639	4.8
191.14313	6.1
193.12198	4.7
197.13225	17.1
205.15855	22.2
215.14313	15.3
233.15321	29.0
251.16382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	3beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
Peak:m/z	Relative Intensity
51.27251	1.4
52.92453	1.1
53.03931	1.4
55.01879	1.3
55.05491	3.7
59.04993	1.4
59.68086	1.2
67.05482	3.8
69.03394	2.6
69.07041	7.9
71.04979	2.3
79.05473	19.9
81.03416	1.4
81.07045	17.2
83.08625	1.9
90.02494	1.3
91.05449	23.4
93.07020	30.0
95.04929	6.0
95.08588	13.3
98.17582	1.5
103.05439	2.8
105.07011	62.8
107.04933	3.3
107.08572	40.3
109.06508	6.6
109.10144	2.5
116.06171	1.6
117.07005	9.2
119.08562	24.8
121.06506	22.6
121.10125	13.1
122.07243	1.7
123.08054	7.5
129.06950	3.2
130.07707	1.4
131.08554	16.7
133.06491	2.4
133.10094	11.4
135.08020	100.0
135.11658	5.8
136.08806	30.0
137.09592	1.6
141.06949	1.8
142.07713	19.2
142.08606	1.4
143.08546	10.1
144.09319	2.9
145.10124	19.2
147.08015	6.5
147.11676	25.4
149.05905	1.9
149.09579	9.4
151.07526	8.2
155.08595	1.9
157.10115	22.4
159.11598	11.3
160.08650	1.7
161.09579	5.7
161.13232	2.2
163.07440	12.3
163.11119	12.8
163.14795	3.3
164.08286	59.9
173.09598	2.0
175.11095	12.2
177.12785	2.0
187.14810	6.9
191.10664	3.2
191.14264	8.6
199.14847	2.5
205.15854	13.0
206.13013	24.4
216.14937	2.6
233.15366	2.6
251.16402	8.6
263.49417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03932	7.9
53.11539	1.6
53.89427	1.4
54.28490	1.5
54.58328	1.5
55.01865	8.1
55.05504	20.3
65.03947	1.8
67.05502	25.7
67.11317	1.7
69.03418	64.4
69.07055	11.2
69.63230	1.7
71.04993	7.3
79.05477	44.9
81.07045	55.5
83.04967	31.2
83.08603	1.9
91.05473	54.8
93.07022	53.4
95.04944	17.0
95.08595	24.3
97.06525	23.0
99.04401	3.4
103.05476	2.2
105.07015	100.0
107.04968	2.2
107.08584	35.7
109.06493	15.2
109.10161	7.7
111.08069	4.5
115.05508	3.3
116.06215	2.6
117.07014	15.0
119.08560	47.6
121.06495	12.9
121.10141	22.4
123.08050	20.6
123.15153	2.1
125.09637	3.2
128.06233	2.8
129.06996	9.6
130.07800	3.9
131.08546	32.2
133.10106	75.1
135.08038	9.8
135.09747	1.9
137.05989	2.6
137.09641	4.9
142.07758	4.3
143.08582	8.2
145.10107	26.7
147.08023	2.6
147.11670	44.8
149.09586	17.1
153.09047	2.5
155.08559	3.2
156.09325	8.0
157.10121	9.4
159.11722	10.9
161.09634	3.7
163.11160	3.7
164.36937	2.0
170.07005	2.3
171.11639	2.8
173.13234	4.8
187.14792	11.0
191.00841	2.1
191.14320	3.9
199.14853	7.5
205.12347	2.1
205.15787	4.3
215.14304	2.5
217.15851	12.1
233.15480	6.7
234.16075	4.8
251.16470	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	249.1484
Annotation	Hypochaerin
Peak:m/z	Relative Intensity
50.69450	1.8
53.03926	2.7
55.01883	2.0
55.05504	10.6
59.05001	3.2
67.05505	26.3
69.03432	17.5
71.04985	3.5
74.81699	1.9
75.23126	1.9
79.05479	34.1
81.07048	100.0
81.07529	3.5
83.04968	30.1
91.05467	25.1
92.08739	2.2
93.07035	29.9
95.04951	40.9
95.08621	3.4
97.02870	17.3
99.04471	4.4
105.06352	3.0
105.07018	38.4
107.04905	1.8
107.08588	20.2
109.02867	2.6
109.06519	9.8
111.04436	32.2
115.05461	3.1
116.06191	3.5
117.07044	16.0
119.08570	12.0
121.06469	6.9
121.10130	12.8
123.04428	20.8
129.06998	8.7
130.07764	12.4
131.08557	15.5
133.10106	4.7
135.08063	9.0
135.11687	3.6
137.05962	3.1
145.10115	30.2
147.08020	2.1
149.09621	10.6
158.07239	3.7
159.08075	3.1
161.09534	2.6
163.11134	7.3
166.70070	2.2
173.09599	11.2
175.07619	2.1
177.09055	3.6
191.10620	38.0
229.12024	2.2
231.13829	2.9
249.14682	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	250.18
Annotation	Nupharidine
Peak:m/z	Relative Intensity
52.14983	0.3
52.35254	0.3
53.03940	0.3
53.84257	0.2
55.05502	2.1
56.94386	0.2
57.03409	0.4
57.07059	0.3
67.05484	0.7
69.03407	2.9
69.07059	2.1
70.06561	1.2
71.04969	0.4
74.00445	0.3
79.05473	1.3
81.03426	0.3
81.07040	2.8
82.06537	1.6
83.04958	1.4
91.05430	1.7
93.07030	3.4
95.04932	1.2
95.08575	1.9
97.06503	0.5
98.06023	4.7
98.97555	0.6
99.08075	1.4
105.07029	2.6
107.04923	0.6
107.08589	3.6
109.06488	4.3
109.10142	0.7
110.06058	2.4
111.08038	0.5
112.07574	1.9
119.08544	1.6
121.06458	0.6
121.10115	3.4
121.83523	0.3
123.08052	2.3
124.07569	0.3
125.09586	1.3
127.07532	4.1
127.31669	0.3
129.77232	0.3
131.08537	1.9
133.06549	0.3
133.10078	2.5
135.07993	1.4
135.11688	3.2
136.11217	0.3
137.09581	1.2
138.09094	0.5
143.08559	0.4
145.10112	3.3
147.11652	0.4
148.11078	0.3
149.09575	1.4
151.11182	0.4
153.84155	0.3
155.06993	1.2
159.08046	0.4
161.09659	0.4
163.11110	1.1
164.10675	0.6
169.08575	5.2
173.09575	1.2
173.13240	2.4
175.11142	1.4
176.10597	0.4
177.00742	0.3
177.09077	0.5
177.11505	0.4
179.10603	1.3
180.10283	0.3
181.10927	0.3
182.11717	0.6
187.09674	0.5
187.14877	0.5
191.10562	1.1
197.08038	0.7
203.14252	0.3
205.15790	0.5
215.09109	4.5
215.14311	3.3
223.76572	0.3
232.16879	3.8
233.10161	0.3
233.15263	2.1
250.17963	100.0
251.18248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
50.30390	2.7
50.32483	2.3
52.90804	2.4
53.03941	7.7
53.95221	2.5
55.01857	5.0
55.05507	29.6
57.03429	6.0
59.04990	8.1
61.47304	3.5
67.05496	30.9
69.03431	24.0
69.07059	6.2
71.04993	4.8
79.05469	65.4
81.07050	43.9
83.04972	28.1
85.02908	13.7
91.05464	67.5
93.07027	82.7
95.04953	40.6
95.08601	24.2
97.06510	5.6
99.04421	4.2
103.05445	5.2
105.07018	100.0
107.04958	26.7
107.08607	31.3
108.05699	3.9
109.06531	23.3
111.04421	5.1
112.97205	3.6
114.35362	3.3
115.05436	7.2
116.06235	5.1
117.07024	23.7
119.08562	56.1
121.06486	37.4
121.10126	22.2
122.12218	3.4
123.04387	14.8
123.08043	11.6
128.06195	12.7
129.06996	15.0
130.07761	5.5
131.08534	36.4
133.06473	14.2
133.10106	18.0
135.08063	25.9
135.11670	5.1
136.08835	4.1
137.06010	16.6
142.07697	5.0
143.08546	22.1
145.06526	4.5
145.10097	59.2
147.08011	18.4
147.11693	14.2
149.05969	4.1
149.09618	15.1
156.09282	3.9
157.10124	6.7
158.07256	3.9
159.11684	6.5
161.09613	6.1
161.13223	4.7
163.07570	3.9
163.11172	23.2
171.11659	14.7
173.09589	26.0
176.08340	5.6
185.13315	5.3
189.12750	12.3
191.10637	20.7
203.14302	19.0
213.12704	13.5
231.13792	15.8
249.12453	5.5
249.14798	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	1-Deoxy-11-oxopentalenate
Peak:m/z	Relative Intensity
55.05505	0.7
57.07060	3.1
59.04982	2.6
65.93153	0.4
67.05496	0.6
69.03400	0.7
79.05469	1.2
81.07038	2.2
83.04956	0.6
91.05471	3.6
93.07030	3.0
95.04940	0.9
95.08578	2.1
97.02782	0.4
97.06474	0.8
98.20158	0.5
99.35783	0.5
105.07011	13.7
107.08584	1.2
107.71671	0.5
111.04435	0.8
115.05420	0.5
117.06995	3.3
118.99316	0.5
119.08584	5.4
121.10123	1.1
128.06183	4.5
129.06973	4.6
130.07733	1.8
131.08527	5.1
133.10146	3.6
141.06993	1.0
142.07741	5.3
143.08551	29.8
145.10109	23.1
147.08054	5.3
147.11661	3.2
155.08533	6.1
156.09323	37.4
157.10123	10.4
159.08162	0.7
159.11659	2.0
161.09584	3.1
168.84552	0.5
170.10881	43.4
171.08040	11.3
171.11661	50.2
173.09525	2.5
185.13223	37.9
187.14798	1.9
189.09122	13.6
189.12715	100.0
203.14334	1.3
213.12718	1.3
223.53339	0.6
224.11295	0.6
231.13766	19.9
249.14841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01867	3.1
55.05506	5.1
57.03426	2.4
57.07074	10.4
66.33687	1.1
67.05488	6.5
69.03415	9.8
69.07052	18.4
71.04961	6.3
79.05477	16.5
81.03407	27.7
81.07040	23.5
83.04948	6.2
83.08623	2.0
85.02888	13.4
85.06532	2.9
91.05456	17.8
93.07026	43.6
95.04951	92.0
95.08598	6.7
97.02859	5.7
97.06528	12.1
99.04439	6.7
101.02347	2.7
105.07024	11.8
107.04922	3.1
107.08578	14.6
109.06541	2.0
111.04398	6.9
111.08064	11.5
113.05985	1.8
115.03918	4.7
117.07003	11.5
119.08543	6.7
121.06490	2.0
121.10113	8.6
123.08053	2.3
125.06033	1.6
127.03890	6.7
131.08548	31.8
135.08035	13.5
139.03894	8.0
141.05452	100.0
147.08086	2.0
149.09570	11.9
153.09100	2.1
157.04922	10.4
159.08092	2.6
165.09167	1.6
167.10524	1.4
177.09074	15.9
195.10139	21.4
209.82118	1.3
213.11214	32.3
248.14938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16643	5.9
59.18238	6.3
59.96295	6.4
65.81180	6.0
67.83813	6.9
81.14602	7.7
92.09367	11.6
113.94087	7.6
119.01912	7.9
229.76558	7.3
249.03618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99856	0.9
63.91505	0.4
74.61951	0.5
77.00894	0.6
80.55271	0.5
82.99825	0.8
89.00828	0.6
98.97572	2.6
101.00862	28.7
102.00934	0.5
103.02441	1.9
113.00819	1.1
119.01904	100.0
121.02324	0.5
131.01903	9.0
133.03459	0.6
134.99614	0.6
137.02939	22.3
143.01880	10.8
145.03455	7.8
149.02957	2.2
157.03453	2.6
159.01357	8.6
161.02928	43.7
163.04514	0.9
165.02377	0.6
171.01370	1.1
173.02963	2.8
177.02412	14.5
179.04053	2.2
189.02411	18.0
191.03992	3.0
201.02420	2.6
207.01843	0.7
207.03519	6.4
219.03522	2.4
225.04935	0.5
249.04466	10.9
267.05597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03934	6.4
55.01863	5.9
55.05513	13.1
65.03922	6.2
65.37941	1.2
67.05493	27.0
69.03411	15.7
69.07062	2.7
71.04973	3.2
72.32971	1.4
79.05476	45.7
81.07039	100.0
83.04969	28.6
85.02882	1.7
91.05462	32.9
93.07025	27.4
95.04949	44.8
95.08595	2.9
97.02879	14.1
103.05469	2.2
105.07015	49.6
107.04929	1.9
107.08575	27.9
109.02869	1.4
109.06475	10.9
111.04423	25.3
111.08067	2.6
113.02352	1.7
115.05455	7.0
116.06244	5.6
117.07004	16.9
119.08560	20.7
121.06458	16.5
121.10130	14.2
121.10878	1.6
123.04392	23.2
123.08036	2.4
128.06189	3.6
129.07010	9.0
130.07758	14.0
131.08549	23.4
133.06419	2.7
133.10155	8.6
135.08052	8.7
135.11639	2.4
137.05943	6.4
137.94641	1.8
143.08549	9.3
145.06470	2.7
145.10098	34.3
147.08005	7.7
147.11702	2.8
149.09637	12.0
155.08582	2.5
156.65590	1.5
157.10106	1.7
158.07237	6.8
158.72548	1.5
159.08037	6.6
161.09579	8.8
161.13193	2.0
163.07422	2.2
163.11171	8.2
167.98645	1.8
173.09601	8.3
175.14839	1.7
177.09085	3.0
185.13310	2.5
187.11151	1.4
189.12776	1.7
191.10637	38.3
203.14246	3.1
221.15501	1.8
231.13728	6.3
249.14761	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	247.1328
Annotation	1-epimenverin B
Peak:m/z	Relative Intensity
63.64014	0.7
65.26479	0.7
67.05486	1.4
69.03407	1.9
69.07024	0.8
69.72954	0.8
70.64668	0.8
79.05477	1.3
81.07022	5.5
82.07337	1.9
91.05457	4.3
92.05782	1.4
93.07003	5.3
94.07324	1.9
95.04926	0.9
96.05299	1.1
105.06998	4.7
106.07341	1.3
107.08593	6.4
108.08905	4.0
109.06538	1.0
109.10103	1.3
128.06195	7.4
129.06966	1.6
131.08551	1.2
132.95796	0.8
133.06441	3.6
136.11954	1.0
136.17201	0.9
141.06969	5.4
142.07771	3.4
143.08542	7.6
145.10129	6.2
153.06993	1.8
154.07761	10.4
155.08556	6.9
157.10156	1.9
159.08043	9.2
159.11647	3.6
161.09703	1.0
167.08553	4.2
168.09314	17.2
169.10101	100.0
170.10834	3.3
171.08018	60.9
172.08716	1.9
178.07700	1.2
179.06973	7.6
181.06435	6.8
183.11665	38.1
185.13191	1.2
187.11148	15.8
187.14722	1.2
189.09106	7.2
193.10107	14.6
196.08791	12.1
201.12794	1.3
211.11159	76.9
223.98428	1.1
229.12209	19.2
247.13242	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
53.03938	6.7
55.05497	4.1
57.07067	1.1
58.50354	0.8
65.03934	5.2
67.05495	5.3
69.03416	21.4
79.05475	12.8
80.03690	0.9
81.07043	11.4
83.04964	16.6
84.07357	0.9
91.05454	20.6
91.05998	1.1
93.03378	6.1
93.07021	18.3
93.39668	0.9
95.04958	7.9
95.08602	1.3
97.02875	5.4
103.05402	0.9
105.07005	23.1
105.88559	0.9
107.04942	2.1
107.08566	19.8
109.02859	23.7
109.06499	13.9
111.04439	5.5
115.05440	4.4
115.88048	0.9
116.06233	1.1
117.07001	13.8
119.06119	1.0
119.08557	24.6
119.82446	0.9
121.02834	2.0
121.06490	22.5
121.10127	8.2
122.07256	0.9
123.04436	0.9
128.06177	4.8
129.06982	9.4
130.07779	3.6
131.08536	24.6
132.05635	1.7
133.10101	14.6
135.08031	31.3
137.05957	5.9
137.09630	2.1
141.06976	3.6
142.07739	4.5
143.08565	17.8
144.05701	1.2
144.09322	17.8
145.06453	10.3
145.10103	15.3
146.07225	1.4
147.08049	3.5
149.05977	1.3
149.09598	21.3
150.10408	4.0
151.11160	3.3
153.06989	3.9
155.08553	6.2
156.09238	1.5
157.06499	1.3
157.10135	5.1
158.07280	2.2
158.10883	21.2
159.08022	14.1
159.11659	35.7
160.08820	1.9
161.09613	3.8
163.07520	16.3
163.11205	1.3
165.09140	1.3
167.08609	1.2
168.09334	4.8
169.10120	2.0
170.10915	5.0
171.08008	12.5
172.08784	20.5
173.09589	27.8
173.13214	43.6
175.07570	1.5
181.06444	1.4
183.11685	9.7
185.09625	1.4
185.13298	1.7
186.10361	29.5
187.11142	100.0
189.09131	2.0
191.07013	15.6
193.10083	1.5
196.08736	7.0
199.07594	2.3
201.12712	48.9
205.12250	6.0
211.11122	10.3
214.09872	2.1
219.13628	1.1
229.12199	39.5
247.13246	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09025	0.6
53.00319	0.9
53.03943	5.8
55.01858	6.8
55.05494	3.8
56.96561	2.8
57.03429	14.3
57.07059	4.3
61.02922	16.1
65.03928	1.5
67.05489	10.0
69.03418	44.7
69.07053	1.6
70.38716	0.6
71.01329	1.8
71.04976	5.3
72.08144	3.4
73.02898	7.6
74.36247	0.7
79.05479	5.9
81.03400	17.0
81.07049	6.9
83.01312	1.0
83.04966	6.2
84.04485	1.5
85.02892	100.0
85.06533	53.3
85.06957	1.1
87.04449	3.9
91.03944	4.5
91.05457	6.6
92.08691	1.3
92.41632	0.9
93.07011	5.7
95.04947	11.5
95.08585	1.5
97.02872	24.7
97.06535	6.1
98.97565	1.3
98.98460	1.3
99.04417	7.5
101.02377	0.8
102.05505	0.9
103.03907	1.9
105.07017	5.2
107.04963	1.9
109.02855	10.1
109.06511	5.3
111.04420	3.4
113.05991	1.1
115.03895	1.0
116.72068	0.7
116.98627	0.9
117.07056	0.7
118.95750	0.8
119.08562	1.8
121.06489	3.4
123.04417	0.9
123.08039	2.9
125.05958	1.7
127.03880	19.1
130.07771	0.9
133.06429	1.9
135.08032	1.6
139.07587	0.7
142.66435	0.8
145.04951	15.4
145.06174	1.0
145.06541	0.9
145.10130	0.9
147.08044	3.1
151.07483	1.2
163.06071	1.4
163.07494	3.4
181.08745	0.8
187.07503	0.8
211.09517	0.8
224.46243	0.8
245.03847	0.9
250.68710	0.8
266.88037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0576
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.38310	0.2
51.74247	0.2
55.05485	0.2
57.03431	3.9
69.03411	0.4
70.06572	0.3
72.08148	1.9
75.04462	2.7
84.04492	0.2
84.08076	0.2
85.02879	1.1
86.09692	0.3
91.69819	0.2
95.04936	0.2
98.98446	100.0
103.67696	0.2
116.99494	2.3
130.12201	0.2
137.34529	0.2
155.01050	0.5
173.02072	14.2
208.42140	0.2
229.03181	1.0
247.03831	5.4
247.06181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91802	2.8
55.01867	30.1
61.02909	4.9
65.23678	2.6
67.05489	7.9
69.03416	7.1
77.55809	2.9
79.05470	14.4
81.03411	43.4
81.07028	7.3
83.04979	5.2
85.02885	12.5
91.05457	30.1
93.07026	5.3
95.04939	7.6
95.08585	23.2
98.97566	5.2
103.05486	6.3
105.07005	47.0
107.04910	7.8
109.06492	4.8
115.05447	30.5
116.98617	3.9
117.06987	21.1
121.06493	30.3
128.06209	95.3
129.06982	52.2
130.07771	4.5
131.04892	6.9
131.08551	29.6
133.06462	26.6
141.06960	38.6
143.08534	24.8
144.05713	13.6
145.06496	27.6
145.10072	7.6
147.08022	15.0
147.63889	3.4
151.07530	100.0
153.06979	17.4
154.07751	5.7
155.08537	28.1
157.06476	96.6
158.07263	19.2
159.08041	41.0
165.07007	8.1
168.05600	5.7
169.06483	15.4
171.08023	92.1
173.09636	5.8
175.07536	27.0
179.06979	36.6
183.08052	31.6
185.05887	24.9
187.07481	13.5
189.03404	3.6
189.09033	28.7
194.97758	3.6
199.07465	5.2
201.09079	27.8
211.07542	4.1
217.08580	6.2
217.63536	4.4
229.08548	34.2
247.09491	25.6
247.13248	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	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59534	0.4
53.82602	0.4
57.07069	12.0
58.06570	0.6
58.78082	0.4
60.17183	0.5
65.67779	0.5
66.72234	0.4
70.06580	19.2
71.08620	2.2
76.56525	0.5
78.45274	0.4
85.10153	0.8
88.07621	24.7
102.09152	5.7
106.08662	12.1
160.86320	0.5
184.20596	0.8
202.21735	1.7
228.23190	9.7
246.24255	100.0
262.93784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08163	1.9
66.13200	2.0
67.97511	1.9
72.08128	18.3
98.29542	2.3
98.98448	10.8
136.65224	2.2
176.11598	2.1
187.02081	3.2
229.03201	25.2
247.04196	100.0
257.66348	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	246.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.53508	0.4
55.05501	2.5
55.56005	0.5
57.03403	0.6
57.07069	4.0
59.04974	0.6
62.05566	0.5
67.05502	5.9
71.04977	1.4
79.05473	4.6
81.07037	31.2
83.08619	1.2
91.05462	7.3
93.06429	0.8
93.07023	21.5
95.04962	5.3
95.08586	7.0
103.24588	0.5
105.07030	8.7
105.26385	0.5
107.08580	100.0
109.06520	4.2
109.10149	11.6
111.08071	2.2
116.52717	0.6
118.93661	0.5
119.06021	0.8
121.10111	1.3
123.11687	93.5
131.08572	0.6
133.10094	6.3
151.11165	11.0
169.12215	9.9
180.02254	0.6
224.13104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31005	1.7
53.03937	4.4
54.81983	2.0
55.01863	10.4
55.05500	15.5
57.07071	3.6
59.04973	2.6
60.75596	1.9
64.02079	1.8
65.03929	3.7
67.05150	2.8
67.05495	69.7
67.87910	2.0
69.07048	11.5
71.04967	3.8
79.05054	3.8
79.05478	64.1
81.03396	3.9
81.07042	90.9
83.04976	3.6
88.07585	2.3
91.05458	55.3
93.07027	100.0
95.04944	38.2
95.08584	13.3
97.06485	2.6
99.30211	2.2
103.05455	2.3
105.04494	2.6
105.07010	31.6
105.31494	2.3
107.08578	41.7
109.06497	13.1
109.10140	24.7
130.09415	2.3
133.10153	4.5
135.11679	30.8
151.11157	12.3
175.32028	2.4
246.24197	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	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92438	1.0
53.03947	7.0
54.05824	0.8
55.01881	1.0
55.05498	4.2
57.07065	4.2
59.04990	1.4
65.03922	5.4
67.05493	20.4
69.07071	2.5
71.04972	5.4
71.23954	1.0
77.03986	1.1
79.05073	0.9
79.05474	31.8
81.07042	61.2
83.08620	1.0
85.06551	1.2
86.28635	0.9
91.05466	57.3
92.08587	1.2
93.07024	78.4
95.04946	43.1
95.08583	8.2
96.28748	1.1
105.04533	1.4
105.07017	31.4
107.08582	100.0
107.45485	0.8
108.05727	5.9
109.06508	20.3
109.10153	22.2
110.10915	1.1
111.08028	1.1
114.90046	0.9
119.06068	4.6
119.08527	1.4
121.10748	1.0
123.11702	2.5
133.10115	5.3
135.11674	21.0
144.08844	1.1
151.11147	15.1
154.50792	1.0
189.85258	1.0
225.90121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00704	1.1
53.00276	1.3
53.03925	1.5
54.81665	1.2
54.88324	1.2
55.01855	3.1
55.05503	39.7
57.03430	2.9
57.07058	10.1
57.59786	1.1
59.04986	8.5
60.88591	1.1
67.05482	24.5
69.07037	8.5
71.04974	18.5
73.38227	1.5
79.05473	33.0
81.06549	1.5
81.07029	45.1
83.04964	19.2
83.08584	6.9
85.06522	97.9
91.05461	13.2
93.07011	18.2
95.04937	7.8
95.08555	14.3
97.06505	31.1
99.04429	82.6
101.05994	38.5
105.07004	48.0
107.08574	8.0
109.06500	5.7
109.10117	2.8
111.08028	2.9
113.05986	38.3
117.06947	1.6
119.04956	1.5
119.08559	30.6
119.91156	1.5
120.65742	1.3
121.06483	2.2
121.10137	7.5
123.08073	2.4
123.11668	1.7
125.05956	57.6
129.05449	12.5
129.06926	2.4
131.08487	4.9
133.10100	100.0
134.13383	1.5
135.08023	5.8
137.09570	1.9
142.07751	10.3
147.11652	18.8
149.09610	3.0
151.11169	8.6
157.10104	15.4
165.12770	8.0
175.11130	28.2
193.12187	52.6
211.13252	77.3
236.63809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03722	1.3
53.03939	16.5
55.01859	11.6
55.05505	98.6
56.96561	2.4
57.03407	3.6
59.04984	13.2
62.87054	1.4
65.03907	7.0
67.05492	46.9
69.03404	9.1
69.07056	20.6
71.04615	2.3
71.04978	58.7
76.10207	1.6
77.03927	2.0
79.05474	70.2
81.03393	2.8
81.07040	77.4
82.04218	1.9
83.04964	100.0
83.08591	3.3
85.02850	3.3
85.06522	16.4
90.79301	1.7
91.04884	2.9
91.05460	86.9
92.09298	2.0
93.07021	81.7
95.04944	49.2
95.08578	15.1
97.06500	16.1
99.08064	2.2
101.05999	46.7
104.51669	1.6
105.04501	10.1
105.07014	47.9
107.07864	2.9
107.08575	68.9
108.05724	2.4
109.06499	10.6
109.10133	9.6
111.08064	3.9
115.05437	1.8
117.06969	11.7
119.08585	14.8
121.10115	3.6
123.08063	2.0
123.11676	3.8
125.09612	9.2
131.08528	7.1
133.10103	8.2
135.08014	7.1
142.07689	2.8
151.11179	9.4
158.58099	1.7
159.11694	2.1
176.14345	2.9
182.97517	1.6
194.15352	3.3
211.13388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33340	1.1
53.03937	1.2
55.05505	8.9
56.81668	0.9
57.03423	5.4
57.07066	4.6
59.04969	1.0
63.02355	1.0
65.03926	1.3
67.05492	16.9
69.03412	1.4
69.07069	8.2
70.10309	0.9
71.04968	2.1
71.38520	1.0
73.11402	1.0
79.05471	7.7
81.07043	70.6
83.04974	1.5
85.06532	1.8
91.05473	15.2
93.07026	21.3
94.65490	1.3
95.04936	5.0
95.08599	12.7
97.06516	23.2
105.01409	1.2
105.07024	15.1
107.08582	100.0
109.06499	21.5
109.10148	43.3
119.06046	1.5
121.10140	2.1
123.08025	1.6
123.11688	53.4
133.10114	16.9
151.11165	52.1
169.12241	5.6
186.14861	8.1
246.16885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	17.3
55.01862	11.5
55.05505	93.9
56.58875	2.4
59.04975	16.9
62.59739	2.6
63.50685	2.3
65.03951	2.7
65.76618	2.5
67.00022	2.5
67.05489	59.4
69.03397	12.3
69.07061	20.0
71.04980	48.1
74.70803	2.4
79.05478	71.1
81.07040	63.6
83.04967	95.0
83.08620	2.8
85.06531	3.2
85.28200	2.4
87.86282	2.8
91.05467	100.0
93.06486	4.9
93.07029	92.6
95.04952	52.5
95.08589	21.9
97.06496	12.2
97.93233	2.6
101.06003	49.7
105.04489	14.2
105.06997	40.0
105.07664	3.7
107.08578	93.7
109.06514	11.6
109.10137	4.4
110.64880	3.6
111.08033	7.0
117.06977	17.7
119.08561	19.3
123.11660	19.4
125.09567	11.0
131.08522	4.2
133.10100	10.9
142.07713	3.7
235.29727	2.9
236.33331	3.2
253.35364	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	245.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.7
57.07058	1.9
57.20861	2.0
62.06053	1.6
80.09171	1.6
88.14265	1.8
90.38568	1.8
92.63788	2.4
95.08617	1.9
105.07018	3.0
107.08593	2.9
129.25778	1.9
145.10123	2.3
157.10150	2.3
175.79054	1.7
188.03587	2.1
244.26183	3.6
245.15085	100.0
245.26611	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	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79490	0.9
52.24813	1.0
52.54248	1.1
53.00294	1.1
53.03939	2.8
55.01863	5.0
55.05507	43.4
57.03420	4.7
57.07063	6.9
59.04990	8.3
62.13727	1.0
64.39082	1.2
65.03916	5.1
67.05495	74.3
69.03414	10.4
69.07043	8.5
70.45207	1.2
71.04980	22.0
72.05752	1.7
75.04466	1.2
79.05480	48.6
81.03410	1.6
81.07040	45.6
83.04522	2.0
83.04971	34.3
83.08594	7.1
85.06532	100.0
91.05454	14.4
93.07016	18.3
95.04951	83.3
95.08576	13.4
97.02879	89.6
97.06510	34.4
99.04439	67.3
99.24868	1.2
99.87572	1.3
101.06000	41.0
105.07016	52.2
107.04949	10.9
107.08578	10.7
109.06523	10.6
109.10136	5.5
111.04379	1.8
111.08044	2.9
113.05991	44.4
115.00668	1.3
117.07014	2.7
119.04933	2.3
119.08569	24.5
121.02863	2.6
121.06495	1.9
121.10117	6.2
123.04439	1.3
123.08050	7.4
123.11685	5.2
125.05977	76.5
129.05478	8.5
129.06985	1.5
131.08534	7.5
133.06502	2.0
133.10112	83.1
135.04333	4.8
135.08020	2.5
137.09608	2.4
137.13246	1.5
137.99696	1.3
139.07552	1.3
141.05458	9.1
141.06949	1.1
142.07762	9.2
145.10107	1.5
147.08008	5.8
147.11671	24.2
149.09560	4.9
151.11200	9.9
157.05060	1.2
157.10156	12.2
165.12772	9.7
175.11143	30.9
186.56012	1.4
193.12202	43.8
211.13261	60.5
212.58948	1.1
246.13391	2.7
263.60849	1.2
263.63705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1382
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.03944	1.1
55.01867	42.8
55.05496	9.0
57.03419	2.6
57.07056	2.2
67.05486	18.4
69.03419	11.9
69.07059	30.6
70.48483	0.9
71.04975	12.7
79.05480	23.7
81.06593	2.0
81.07036	29.2
83.04988	1.7
83.08620	2.1
85.06051	1.8
85.06524	22.0
91.05469	9.0
91.05976	1.1
93.07023	52.6
95.04967	7.2
95.08582	31.4
97.06513	22.4
99.04433	12.1
101.05975	1.1
105.07011	31.0
107.04935	4.3
107.08578	88.7
109.06512	20.0
111.08059	6.8
111.11690	1.5
113.05999	4.4
117.07007	6.6
119.08560	11.2
121.06503	15.4
121.10116	33.9
123.08018	15.5
125.05970	2.4
127.07525	1.6
130.07748	1.5
131.08545	4.6
135.08005	5.2
135.11653	15.6
139.11124	1.7
145.10091	24.3
149.09621	16.6
151.07520	12.0
163.11153	47.5
167.10663	21.3
169.08565	100.0
173.09586	2.0
181.12206	15.5
185.11722	6.5
191.10645	18.0
198.80360	1.1
209.11719	6.9
217.91216	1.1
227.12782	24.1
262.41040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84199	2.5
54.81320	2.3
55.18383	2.4
65.33327	2.5
79.05521	3.4
81.07055	3.4
91.05472	5.3
93.07038	11.4
105.07018	6.8
119.08559	3.3
120.15321	2.8
129.07027	3.5
142.07722	3.1
143.08548	4.8
145.10164	5.3
157.10161	3.7
175.07581	3.1
217.41165	3.1
225.48854	3.1
240.50937	3.0
245.15106	100.0
245.18938	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	245.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.7
56.61576	2.6
57.07073	4.1
57.09633	2.4
62.06108	4.1
67.05495	4.5
69.07050	4.6
75.65758	2.6
75.92749	3.0
79.05479	4.7
81.07033	5.2
87.99636	3.2
91.05455	3.7
95.04964	3.7
102.33097	3.0
104.46040	3.0
105.07024	6.0
110.65765	3.3
122.42238	3.5
130.30269	3.2
142.07770	3.4
143.08463	4.0
172.91859	3.6
207.20892	3.1
245.15088	100.0
245.26779	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	245.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.38576	0.6
55.05502	17.5
55.93512	3.5
56.96550	1.6
57.03420	3.8
61.02915	1.5
65.03924	3.0
65.95483	0.6
67.05480	1.6
68.99774	0.8
69.03422	7.1
71.04956	0.9
71.93002	1.0
72.93765	15.4
73.94558	1.0
79.05468	1.5
81.03391	1.8
81.07040	3.1
83.04961	100.0
85.02889	3.8
89.94023	1.4
90.94807	16.7
91.05464	3.1
92.10323	0.7
93.07014	4.0
95.04937	4.2
95.08597	1.3
97.02865	4.0
97.06541	0.8
98.97548	0.9
101.05991	3.9
105.07004	1.4
107.08566	1.5
107.95066	1.2
108.95844	3.9
109.02847	0.8
109.06483	1.2
109.10076	0.9
109.54383	0.8
111.04427	11.5
111.08041	0.7
112.56397	0.8
113.03433	0.8
113.96389	3.4
116.59637	0.7
117.03293	1.0
119.01887	1.3
119.08547	0.9
120.97912	1.0
121.06462	3.2
123.04395	0.9
127.03916	1.5
131.93297	0.7
131.97412	3.5
132.95810	0.8
133.10045	0.8
135.04396	1.4
139.03877	17.5
141.01816	1.5
144.26900	0.8
149.05951	2.8
149.96082	7.9
151.28447	0.8
154.02730	0.8
156.04137	7.3
163.03844	3.5
165.05423	1.2
167.18338	0.7
167.97101	12.3
169.04916	3.0
170.05708	3.1
171.06499	4.9
172.97636	3.6
177.05334	1.1
186.11476	1.0
190.98689	4.0
195.06554	1.2
197.08249	0.8
199.12425	1.3
209.08058	1.1
213.07689	1.2
245.04427	13.5
245.10132	8.1
245.12723	3.9
246.04768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.23663	1.1
55.01874	2.1
55.05507	12.7
57.07076	2.4
65.03947	1.5
67.05495	22.3
69.07057	100.0
71.04980	43.5
73.02903	1.5
77.81525	1.4
78.77386	1.3
79.05470	20.8
81.07037	21.8
83.04964	7.2
85.06537	13.5
91.05478	10.2
93.07044	18.9
95.04949	23.9
95.08635	1.6
97.05891	2.7
97.06519	71.7
98.97571	1.6
99.04441	36.9
101.06017	13.0
105.07014	25.6
107.08582	17.5
109.06512	6.1
109.10087	1.6
113.05994	34.1
117.07012	9.2
118.34004	1.5
119.08572	15.7
121.06543	3.0
121.10115	17.0
123.04401	2.2
129.05475	1.7
130.06879	1.6
130.07787	3.5
131.08548	21.4
141.05470	13.0
143.08543	1.8
145.10115	26.8
147.08003	1.7
149.09627	9.0
162.09874	1.4
162.74446	1.3
163.11179	9.8
173.09639	6.0
191.10614	12.7
209.11732	9.6
244.15475	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40542	1.3
53.52264	1.5
55.04863	1.7
56.61670	1.8
57.73509	1.6
64.33511	1.9
69.03410	2.9
72.93768	13.0
76.14323	1.8
80.79903	1.9
90.94810	8.2
94.05693	2.0
107.04877	2.9
108.95860	2.1
135.36909	1.8
149.96109	7.7
167.97061	2.9
177.80141	1.8
245.09912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36828	1.2
52.55614	1.0
53.03914	1.6
54.81938	1.2
55.01859	3.3
55.05049	1.4
55.05511	12.9
55.56322	1.2
56.96555	1.6
57.07064	1.4
58.86287	1.2
59.04990	2.5
67.05489	18.0
69.03408	2.3
69.07053	100.0
71.04606	2.4
71.04974	43.1
75.51908	1.3
79.05470	23.6
81.07036	16.8
83.04965	8.3
85.02863	2.0
85.06533	10.6
87.30873	1.3
91.05462	12.0
93.07004	17.9
95.04945	24.3
97.05883	3.1
97.06504	74.4
99.04436	42.3
101.05999	9.8
105.07011	20.4
107.04928	2.1
107.08574	12.7
109.06519	1.9
109.10183	2.4
111.08003	1.8
113.05991	30.3
117.06965	3.3
119.08548	15.3
121.06534	1.7
121.10115	17.1
123.04401	2.5
126.59064	1.4
130.07817	2.3
131.08517	20.3
135.11691	1.6
141.05434	11.9
145.10106	26.4
149.09573	11.3
163.11145	8.0
173.09531	5.7
179.10709	1.7
191.10664	11.2
209.11682	10.3
244.15401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01867	1.5
55.05504	18.3
56.96554	2.3
57.03428	2.2
59.04981	1.5
61.02905	0.9
61.49566	0.9
65.03929	1.3
67.05495	17.6
69.03426	7.0
69.07053	5.2
70.06586	2.2
71.04980	4.3
76.34640	1.0
79.05474	16.9
81.07037	23.5
83.04961	8.0
84.04492	1.5
85.02890	2.6
85.06515	1.6
86.09664	1.7
91.05462	29.8
91.36735	1.0
93.07030	16.0
95.04947	14.1
95.08589	15.0
97.02875	1.8
97.06516	5.5
98.97566	6.1
99.04447	4.4
103.05450	1.2
105.07017	76.4
107.04973	1.5
107.08579	18.0
109.06519	19.0
109.10143	48.9
111.04427	2.5
115.05379	1.1
116.07074	1.7
116.15675	1.2
116.98612	1.5
117.07016	5.0
119.04954	4.2
119.08562	100.0
121.06503	4.4
121.10119	9.4
123.04420	2.2
123.08061	9.9
125.09594	1.6
128.06203	2.3
131.08585	5.9
133.06468	4.9
133.10107	60.3
135.08035	2.6
137.09604	23.5
141.05547	1.5
143.08577	1.5
144.09062	1.3
145.10114	1.4
147.04378	8.5
147.08015	8.6
149.09578	1.3
151.07532	17.0
151.11111	1.0
155.10728	1.4
160.11676	1.0
161.09592	21.6
161.72679	1.1
163.11182	6.7
165.09103	18.7
169.08534	2.1
179.10628	21.2
179.92773	1.1
183.10168	10.6
189.09111	7.0
197.11652	8.5
207.10146	6.2
225.11269	2.2
233.05081	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61826	0.2
55.08403	0.2
58.99858	0.2
66.69750	0.2
77.08166	0.2
82.01438	1.2
82.99837	0.3
92.09325	0.2
98.97575	1.2
99.91025	0.2
100.02450	5.6
101.00855	11.8
102.00922	0.4
113.70788	0.2
116.98598	0.9
118.03493	2.9
119.01894	100.0
120.01954	4.4
121.01636	0.7
121.02423	0.2
124.02447	0.9
127.00868	0.2
134.99684	0.4
137.02930	46.3
138.03023	1.6
139.02614	0.2
142.03476	15.5
143.01875	0.4
143.03642	0.8
144.03194	0.2
157.48959	0.2
160.00052	0.4
160.04521	5.8
161.02921	13.0
161.04501	0.6
166.49641	0.2
166.98653	1.3
167.48724	0.8
169.48975	0.3
175.99277	0.4
177.00917	2.8
177.04337	0.2
178.01004	10.1
178.05557	0.3
178.48029	0.2
178.49501	5.0
178.99374	1.6
179.00734	1.1
179.03970	28.7
179.49516	0.3
179.98088	1.2
180.99606	0.2
184.04507	1.6
184.87714	0.2
185.95932	0.2
187.50044	1.5
188.00079	0.3
190.00305	2.2
190.50372	0.7
194.04092	0.2
196.94412	0.3
197.46642	0.3
197.97084	0.3
197.99136	3.9
202.01015	0.4
202.05566	1.8
203.04004	0.3
203.97173	0.2
206.47429	0.4
206.97375	0.3
214.95506	4.6
215.95604	1.9
216.95218	0.3
218.04291	1.5
219.01930	1.0
220.02092	11.2
221.01918	1.9
221.05006	2.4
226.00972	0.3
229.98477	0.4
232.96576	4.4
233.96663	2.0
234.96309	0.2
237.97078	0.9
238.97284	0.4
244.02161	1.3
255.98073	0.3
256.96362	2.3
257.96609	0.4
258.96304	0.4
260.00195	0.2
262.03119	32.6
263.02771	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03933	2.6
54.82047	1.0
55.01859	6.1
55.05506	1.6
55.93512	1.0
56.96553	8.6
57.03422	2.0
61.02907	10.3
65.03922	8.4
67.05475	4.9
69.03419	9.2
69.07030	1.3
71.04961	1.4
73.02895	2.1
79.05466	7.5
81.03365	1.5
81.07030	8.5
82.04174	2.8
83.04932	1.6
85.02892	8.6
88.95292	1.4
91.05460	19.0
93.07028	5.5
95.04964	19.0
95.08550	1.8
97.02876	8.0
97.06516	1.7
98.03194	1.2
98.97572	9.7
99.04459	1.3
105.03370	2.7
105.07013	2.6
107.04958	15.7
107.08594	1.4
109.06522	14.8
110.03663	1.7
111.04412	1.7
111.08103	2.7
116.98611	9.4
119.01762	2.0
119.04910	2.5
119.08562	2.7
121.06496	1.9
121.10096	1.6
123.04379	13.4
123.07949	1.2
125.02337	6.1
125.05943	2.8
129.07037	1.4
133.02798	9.3
133.10107	2.9
134.99631	2.0
135.04361	4.3
137.05959	22.6
137.09576	1.4
140.04663	93.9
145.06425	1.7
146.06033	1.5
147.04378	5.8
151.07501	1.4
152.04698	2.0
153.05440	5.8
155.07010	38.4
160.07562	6.9
161.09598	1.4
163.03873	5.8
165.05437	10.9
165.09148	1.6
165.97551	1.4
167.07002	1.6
171.06488	9.4
173.08116	1.9
177.00629	1.5
179.06996	3.0
180.04173	18.9
181.04921	59.5
183.06516	1.6
186.09106	8.1
193.04953	12.1
195.06516	10.2
197.08047	5.2
201.00635	1.3
207.06537	15.6
208.52136	1.3
214.08598	100.0
219.01768	2.3
225.07492	12.3
237.02667	1.9
243.04785	1.6
243.08549	11.1
243.11594	2.7
257.48642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	0.9
58.56947	0.2
64.70451	0.2
68.97581	0.2
83.25723	0.2
98.97553	3.0
100.97157	0.4
100.97932	0.2
101.00858	4.0
116.98599	3.1
118.03448	0.3
118.98228	0.3
119.01901	26.5
130.34053	0.2
132.47945	0.2
134.99690	2.6
136.99191	0.3
137.00105	0.3
137.02936	10.9
142.03453	2.6
153.00865	1.5
158.99792	2.0
160.04521	4.2
161.02965	0.2
165.97603	0.2
177.00923	45.6
178.01036	1.1
178.05568	2.6
179.03935	0.5
179.49551	0.2
193.04137	0.4
195.02014	1.2
200.02487	0.3
201.00891	1.4
217.04042	4.9
219.01981	47.9
220.02116	2.7
221.62782	0.2
225.00725	2.0
242.03564	0.4
243.01901	5.3
243.04329	0.2
261.03021	100.0
262.03256	1.8
263.03439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.8
57.07064	1.7
59.05001	7.5
67.05511	9.3
68.72622	1.0
69.03416	4.3
69.07059	100.0
71.01338	20.7
71.04976	5.4
71.08631	0.9
79.05475	8.1
81.07041	30.8
83.08626	1.6
85.02888	8.4
85.06560	1.9
87.04455	7.0
91.05458	6.0
93.07027	14.3
95.04967	6.0
95.08587	19.3
97.02871	4.2
97.06509	9.2
97.10146	2.0
97.38152	1.1
99.04440	4.3
105.07018	20.1
107.08578	21.0
109.06499	10.2
109.10146	26.2
111.08076	4.5
111.11708	51.9
111.94180	0.8
113.05983	1.2
114.95889	1.0
116.98567	1.5
117.98914	1.1
119.08556	13.9
121.10133	15.7
122.38196	1.0
123.08064	4.0
123.11699	32.9
125.09605	1.4
129.05486	5.0
131.08536	1.2
133.10129	11.2
135.11682	1.0
137.13278	4.2
139.07553	1.0
139.11192	4.6
145.10123	4.4
147.11676	18.0
149.09610	4.7
151.11172	25.1
156.09344	5.0
161.13268	4.7
165.12747	10.5
171.11642	2.2
183.13820	6.0
189.12784	5.2
196.21074	0.9
207.13783	18.3
210.93509	1.0
225.14842	11.5
242.17500	1.5
242.28487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Phomapentenone A
Peak:m/z	Relative Intensity
50.80361	0.4
51.10198	0.4
55.01863	2.8
55.05506	6.0
56.96565	3.4
57.07073	5.2
67.05495	10.9
69.03407	2.1
69.07057	11.4
71.04967	3.1
79.05479	6.4
81.07041	10.8
83.04955	6.0
83.08605	4.3
85.06530	100.0
87.52002	0.4
91.05479	4.0
93.07021	13.1
93.07566	0.7
95.04947	3.8
95.08587	13.1
97.06511	7.5
98.97562	34.7
99.04429	0.7
99.08092	0.6
105.07010	7.7
107.04932	2.1
107.08575	10.8
109.06500	1.8
109.10126	6.7
111.08070	7.7
116.98601	33.1
117.06992	1.1
119.08567	6.7
121.06483	2.4
121.10107	11.9
123.08046	2.9
123.11694	3.4
125.05978	0.5
125.09615	2.5
127.58801	0.4
131.08571	3.2
133.10144	2.0
134.99638	19.7
135.08061	2.8
135.11664	3.4
137.09647	3.7
139.07550	2.6
139.11176	0.8
140.00171	0.7
145.10129	4.9
147.11632	3.3
149.09642	3.4
149.13248	1.0
153.00676	3.6
153.09068	0.8
153.12700	0.5
158.01251	4.1
159.11736	0.8
161.13240	1.7
163.11195	2.9
163.14861	0.7
165.12773	2.8
167.10692	1.1
176.02301	0.7
177.00679	5.7
177.12752	0.9
177.16437	0.4
178.08696	0.4
181.12309	0.7
187.14833	2.4
195.01788	4.4
195.13776	0.9
205.15903	2.9
223.16898	43.3
235.67461	0.5
241.17834	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	241.1796
Annotation	Phomapentenone A
Peak:m/z	Relative Intensity
53.00277	0.8
53.03923	1.3
55.01853	3.4
55.05498	12.2
56.96549	1.5
57.03428	3.8
57.07058	7.2
59.04993	8.2
67.05487	14.0
69.03410	1.6
69.06673	1.3
69.07051	49.5
71.04974	74.3
79.05470	20.7
81.07037	57.2
81.94576	0.8
83.04962	4.6
83.08616	8.4
85.06030	1.0
85.06522	29.8
85.89405	0.8
91.05461	12.9
92.08638	1.0
93.07017	31.9
94.42758	0.8
95.04943	6.9
95.08580	55.5
97.06503	14.8
97.10138	1.4
98.97568	21.2
99.04433	9.3
99.08066	7.5
105.07011	51.5
107.04914	1.0
107.08570	89.4
109.06505	11.8
109.10134	22.9
111.08082	4.1
113.05955	3.3
113.09636	7.1
116.98595	14.5
117.07003	4.8
119.08550	44.3
121.06481	1.8
121.10121	37.2
123.08043	9.4
123.11670	10.3
125.09602	10.6
130.07703	0.8
131.08539	11.2
133.10066	6.0
134.99634	4.5
135.08028	4.4
135.11679	10.5
137.09610	3.8
137.13239	15.8
139.11150	3.2
145.10097	26.8
147.11662	100.0
149.09557	7.6
149.32076	1.0
151.11194	1.1
153.09084	2.0
153.12735	7.0
159.11679	4.9
161.13214	11.6
163.11177	8.2
163.14789	9.0
165.12715	29.3
167.10655	3.4
177.00656	1.6
177.16348	9.6
177.43993	0.9
187.14754	15.9
205.15843	34.3
218.84923	1.0
223.16876	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.86683	0.3
55.05497	0.3
58.06587	23.5
64.09827	0.3
70.06584	3.3
71.04973	0.4
72.08131	0.3
73.17651	0.2
81.03374	0.3
82.17071	0.2
84.08125	12.0
85.06519	0.3
98.06042	0.3
98.09655	1.6
98.97551	1.3
100.11224	0.6
113.17733	0.2
113.41175	0.2
114.05451	0.4
116.07072	0.5
116.10718	0.3
116.98579	0.5
118.11305	0.2
123.04382	0.5
126.05444	0.3
126.09155	0.3
128.10690	4.1
134.99623	0.3
144.10179	1.5
148.55280	0.2
152.10652	0.3
168.10173	1.4
177.11018	0.3
195.12032	0.3
196.09662	7.6
199.83028	0.2
207.53790	0.3
213.16016	0.5
237.61473	0.3
241.15408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03419	0.5
58.06590	26.2
69.03403	0.5
70.06578	3.9
71.04961	0.3
72.08150	0.4
73.02885	0.3
75.21701	0.2
81.03416	0.5
84.08128	13.0
85.02889	0.4
85.06527	2.5
98.09673	2.5
101.02343	0.4
114.05522	0.4
115.03887	1.1
116.07078	0.3
126.05523	0.4
127.49236	0.3
128.10698	5.4
129.01787	0.7
144.10162	2.3
148.98882	0.4
152.07066	0.4
157.01299	0.6
164.07033	0.5
167.76726	0.3
168.10150	1.5
189.03932	1.3
196.09642	8.5
211.91824	0.3
213.15987	0.4
241.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.17298	1.5
54.67744	1.6
55.05506	26.4
57.07077	15.1
57.48361	1.7
58.05004	1.8
64.40869	1.7
67.05501	28.1
69.07059	39.0
71.04984	13.8
79.05474	17.6
81.07044	70.3
83.04977	2.8
83.08607	17.5
83.49990	1.6
85.06528	10.6
91.05450	18.9
93.07028	71.9
94.07332	1.6
95.04985	2.5
95.08592	100.0
97.10143	9.0
105.07024	62.9
107.07858	3.5
107.08583	77.1
109.06493	3.2
109.10149	50.2
111.08042	3.0
119.07723	2.5
119.08573	71.0
119.68337	1.7
120.89169	1.8
121.10137	54.6
123.08031	6.5
123.11675	26.7
127.22642	1.7
131.08595	6.2
133.10117	41.8
135.11691	29.7
137.09567	8.0
137.13242	9.7
145.10104	6.6
147.08188	1.6
147.11668	56.9
149.13281	10.2
151.11154	8.9
159.11707	2.6
161.13258	32.3
163.14816	16.4
165.12767	2.7
175.14729	3.8
177.16382	3.6
185.86555	1.9
191.17915	12.6
196.62331	2.2
198.18495	12.0
203.00313	1.8
203.17931	48.2
209.18993	2.5
221.15422	2.0
221.18958	19.7
239.08841	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05506	29.6
57.07075	21.4
67.05495	32.2
69.07057	49.3
71.04965	11.7
72.99814	1.8
79.05473	21.2
81.07040	83.9
83.04939	2.1
83.08604	15.0
85.06526	12.5
86.67532	2.2
91.05460	25.7
92.08640	4.5
93.07024	84.5
95.04947	4.2
95.08588	100.0
97.10152	3.9
99.08070	2.4
105.05939	2.2
105.07018	72.2
107.08588	85.4
107.09655	2.7
109.06493	3.0
109.10149	47.9
117.06966	3.3
119.08556	71.4
121.10120	61.7
123.08076	3.8
123.11687	29.7
125.09585	2.7
131.08549	4.5
133.10126	51.2
135.11667	31.1
137.09578	5.0
137.13206	15.6
146.61232	2.2
147.11678	56.3
149.13225	10.7
151.11162	13.2
159.11690	2.4
161.13251	25.2
163.11154	3.0
163.14841	21.0
165.12732	3.7
175.14810	3.7
177.16362	9.3
191.17897	11.6
198.18524	11.9
203.17957	53.1
209.19070	2.8
221.19008	35.0
225.27420	2.0
239.08810	8.9
239.21944	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.48766	0.9
54.30459	1.3
55.05507	16.8
57.03429	1.5
57.07069	7.7
59.04985	2.9
67.05495	31.6
69.03423	2.3
69.07056	30.2
71.04980	8.9
79.05469	19.7
81.07040	55.2
83.08613	7.9
85.06521	10.0
89.22988	1.2
91.05459	24.8
93.07026	36.3
95.04961	5.8
95.08588	100.0
95.79526	1.2
97.06530	6.5
97.10167	6.2
98.97591	1.6
99.04429	5.3
99.08102	2.6
101.40071	1.4
105.07019	74.0
107.08586	56.3
108.09026	1.2
109.06522	7.0
109.10146	53.0
111.08089	5.3
116.98560	1.6
119.07714	3.1
119.08561	60.5
119.21395	1.3
121.06596	1.5
121.10137	40.0
123.08047	1.8
123.11700	20.8
125.09607	2.5
127.07554	1.3
131.08586	2.3
133.10112	28.6
135.08018	2.4
135.11665	17.8
137.09573	6.4
137.13272	2.5
139.11147	1.4
143.08661	1.5
145.10112	8.0
147.11681	69.1
149.13255	7.3
151.11180	5.5
159.11678	2.8
161.09642	1.8
161.13255	23.6
163.11159	1.9
163.14792	16.4
165.12756	2.8
175.14844	7.5
177.16350	20.4
198.18559	2.5
203.14334	2.8
203.17926	64.4
221.11801	2.1
221.15695	1.8
221.18993	28.4
239.08936	7.3
239.16296	2.3
239.20049	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.84211	1.0
53.03925	2.5
54.81935	1.3
55.05507	24.4
57.07068	13.4
59.04984	2.7
67.05495	27.0
69.07056	40.4
71.04983	12.7
71.08611	2.4
79.05467	21.4
81.07040	72.0
83.08591	14.0
85.02887	2.6
85.06530	7.8
91.01450	1.4
91.05461	19.6
93.07024	91.4
95.04960	2.5
95.08588	100.0
95.90735	1.5
97.06554	2.3
97.10142	5.1
99.08051	2.3
102.40321	1.4
103.05416	1.5
105.07012	57.0
105.07659	2.6
107.08578	95.3
109.06485	9.8
109.10146	52.6
109.10862	2.6
111.04417	2.0
111.08089	2.8
117.07001	1.7
119.08561	73.0
121.10116	48.2
123.08064	2.9
123.11694	24.5
125.09619	3.3
131.08563	2.5
133.10106	51.7
135.11676	44.3
137.09601	29.8
137.13243	10.1
145.10110	7.9
147.08020	3.5
147.11682	57.4
149.13261	12.7
151.11104	11.6
151.14772	2.9
153.12723	1.5
160.12433	1.8
161.13242	36.3
163.11197	1.9
163.14806	21.0
165.09154	2.8
165.12755	7.0
175.14850	11.5
177.16376	8.7
191.17915	21.2
193.15938	6.4
198.18515	18.2
203.17921	57.7
218.23253	1.3
221.15422	10.4
221.18985	17.0
239.08768	15.9
239.20073	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.42150	1.3
53.00301	1.4
55.05497	25.0
57.03431	1.8
57.07065	13.1
57.81068	1.7
67.05490	34.1
69.07054	41.5
71.04991	13.9
79.05476	21.0
81.07036	80.5
82.04089	1.6
82.07396	2.3
83.08594	13.8
85.06507	3.2
85.49887	1.6
91.05447	22.0
93.06115	2.6
93.07021	83.1
95.04957	3.3
95.08585	100.0
96.49357	1.7
97.10148	7.6
99.08086	2.3
105.06296	2.0
105.07006	65.8
107.08577	81.9
109.06498	4.4
109.10145	51.1
119.08555	68.2
120.08908	1.7
120.70164	1.7
121.10114	55.7
123.08013	3.4
123.11692	23.8
124.48569	1.9
125.09547	2.8
131.08539	4.2
133.10104	56.5
135.11649	37.9
137.09596	7.6
137.13249	10.9
145.10155	7.4
147.11665	68.2
149.13225	3.2
151.11189	12.4
159.11639	2.0
161.13228	41.7
163.14818	26.4
165.12740	3.7
175.14780	3.5
177.16380	11.8
191.17905	17.9
198.18582	9.6
203.17923	68.2
221.18951	26.0
239.08852	10.5
239.20029	3.0
244.97212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.20261	0.5
53.00297	0.9
53.03941	1.1
53.99760	0.5
55.01854	1.3
55.05507	15.4
56.12849	0.4
56.82628	0.4
56.96553	1.0
57.03432	0.5
57.07063	3.5
59.04993	7.1
65.03947	0.7
67.05495	15.8
68.05477	0.5
69.03415	2.0
69.07056	47.0
71.04967	4.2
72.33219	0.6
79.05479	23.1
81.07041	100.0
83.04972	1.3
83.08613	7.3
85.06536	1.1
91.05454	9.6
93.07024	24.8
93.10463	0.5
94.07310	0.5
94.56750	0.5
95.04957	2.9
95.08588	29.8
97.06512	4.9
97.10154	1.1
105.07014	25.6
107.04886	0.5
107.08577	26.0
109.06487	7.1
109.10142	18.1
111.08076	0.8
111.11705	3.1
116.55371	0.6
116.97227	0.9
117.06991	2.3
119.06084	0.6
119.08564	20.1
121.06525	0.6
121.10127	16.1
122.35202	0.6
123.08078	2.3
123.11675	11.0
125.09583	2.6
131.08522	1.2
133.10112	10.6
135.07990	0.6
135.11639	6.5
137.09619	3.7
137.13274	0.7
139.11171	1.2
145.10112	3.3
147.08018	1.0
147.10612	0.5
147.11661	15.7
149.13258	7.1
150.96927	0.7
151.11163	2.1
153.12779	1.0
159.11659	2.1
161.09575	1.0
161.13239	5.5
163.11186	0.9
163.14772	1.0
165.09129	0.6
165.12756	4.4
174.98576	0.6
175.11189	8.7
175.14815	3.2
179.10718	1.0
193.15741	1.0
198.18526	5.9
203.14389	0.7
203.17958	6.8
207.69934	0.6
221.11646	3.6
221.15350	2.8
221.18994	6.0
239.08826	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.00309	0.2
53.03951	0.2
55.05502	1.7
57.07067	41.8
58.07399	0.8
62.12388	0.2
62.28339	0.2
64.46256	0.2
67.05492	1.1
68.39424	0.2
69.07048	1.7
71.04992	0.2
77.03912	0.2
78.74348	0.2
79.05474	7.6
80.05798	0.2
81.03389	0.3
81.07040	3.8
83.04950	0.2
85.06527	18.8
91.05462	4.6
93.07023	34.8
94.07364	1.1
95.04941	1.2
95.08581	2.0
97.06554	0.2
98.65884	0.2
103.05412	0.2
105.04498	0.3
105.07014	11.2
107.08585	1.9
109.10146	1.2
117.07014	0.4
119.08559	8.8
120.08894	0.4
121.10122	100.0
122.10448	3.2
123.08062	2.0
123.11667	0.3
133.07626	0.8
133.10104	1.0
135.11661	0.5
139.11163	1.7
145.10153	0.2
147.11688	2.4
149.13275	0.2
159.11693	0.2
161.13211	0.8
163.14778	0.2
188.57674	0.2
198.18530	0.7
203.17934	2.4
221.15556	0.3
221.18977	7.5
239.08838	0.9
239.20203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.94900	0.6
53.00289	0.8
53.03930	1.8
54.22679	0.7
55.01842	0.9
55.05505	39.5
56.96559	1.7
57.03415	1.0
57.07063	11.5
59.04991	15.1
60.69165	0.7
63.54640	0.7
67.05192	1.2
67.05493	20.9
69.03399	2.1
69.07056	31.0
71.04983	12.7
71.08592	1.1
79.05469	17.6
81.07037	70.6
83.04964	1.9
83.08604	22.5
85.02894	1.3
85.06525	5.4
87.04425	1.0
87.55360	0.9
91.05467	19.3
93.07024	52.3
95.04935	5.9
95.08582	61.0
96.08942	1.0
97.06514	6.0
97.10145	6.2
98.97567	1.1
99.04426	2.0
99.08064	5.0
105.07015	35.3
107.08578	94.1
109.06480	5.9
109.10138	32.4
111.08053	4.5
111.11706	7.9
113.09614	1.3
117.06971	3.3
119.08559	39.4
121.06471	1.2
121.10122	19.0
123.08038	6.1
123.11685	30.7
125.09606	5.7
127.11172	3.4
131.08598	3.2
133.06511	0.9
133.10110	37.5
135.08020	1.5
135.11670	100.0
137.09593	3.8
137.13225	29.3
139.11168	8.7
143.08540	3.5
143.10645	7.0
145.10040	7.1
147.11662	19.0
149.09491	1.1
149.13203	6.1
151.11137	5.5
157.10132	1.0
159.11647	3.5
160.12421	1.2
161.08401	0.9
161.09520	6.4
161.13251	14.1
163.11154	5.2
163.14793	8.5
165.12683	3.6
175.14799	4.0
177.16342	1.8
179.14229	1.9
193.15749	1.0
193.19464	1.7
198.18488	3.9
203.14296	3.1
203.17932	27.3
206.42244	0.9
221.15521	6.9
221.18973	21.5
239.08813	5.2
239.20012	8.1
244.49272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01891	0.7
55.05505	10.1
55.46663	0.8
57.07061	5.5
57.21395	0.8
59.04974	1.1
59.91887	0.7
67.05498	15.6
69.03419	1.5
69.07061	18.7
71.04967	10.8
71.08616	0.9
79.05477	13.3
81.07043	41.8
82.07352	1.1
83.04971	1.6
83.08183	0.8
83.08619	5.6
83.87667	0.8
85.02879	1.5
85.06532	3.9
91.05467	10.7
93.07030	29.7
94.07330	0.8
95.04952	1.5
95.08590	41.9
96.08929	0.9
97.06494	3.2
97.10140	1.1
99.04446	1.5
105.07022	58.4
107.08585	38.1
109.06519	5.4
109.10146	23.9
111.08070	4.0
117.06977	1.8
119.08566	33.5
121.06484	1.3
121.10130	20.9
123.08051	3.6
123.11691	18.9
125.09611	1.2
131.08557	4.0
133.10106	20.0
135.08018	1.6
135.11650	13.4
137.09618	4.4
137.13283	1.3
139.07539	1.3
141.09122	0.9
145.10118	4.6
147.07999	0.9
147.11676	41.5
149.09648	1.2
149.13242	5.1
151.11151	3.1
151.14865	1.4
159.11679	6.4
160.12479	1.3
161.13248	16.5
163.11150	3.8
163.14809	11.2
165.09004	1.0
165.12738	3.6
175.14763	5.8
175.98546	1.4
177.12714	1.5
179.14322	1.3
193.15842	0.9
198.18549	8.0
203.14340	1.0
203.17935	22.3
221.15419	4.7
221.18979	100.0
239.08910	9.3
239.16330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.29148	0.5
55.01860	0.6
55.05262	0.6
55.05503	7.8
56.96543	0.6
57.03435	1.1
57.05042	0.4
57.07074	3.9
59.04985	2.8
65.03937	0.4
67.05489	13.3
69.03410	1.1
69.07054	16.7
71.04973	9.0
71.08604	0.9
79.05476	10.9
79.27809	0.5
80.48778	0.6
81.03381	0.6
81.07040	36.6
82.07367	0.7
83.04974	1.2
83.08621	4.2
85.02894	1.2
85.06527	2.4
88.56634	0.5
91.05447	9.2
93.07025	23.8
94.07342	0.9
95.04947	2.5
95.08581	33.4
96.08929	0.6
97.06516	3.0
97.10128	1.3
98.97547	0.8
99.08063	0.8
99.90469	0.5
105.07014	49.0
107.08573	33.5
109.06490	3.5
109.10140	20.4
111.04408	0.6
111.08044	2.5
116.97230	0.9
117.06988	2.1
119.08557	28.6
121.06502	0.6
121.10115	16.5
123.08027	2.8
123.11674	13.3
125.09600	2.3
127.95094	0.6
131.08536	2.2
133.09174	1.1
133.10104	18.5
135.07973	0.8
135.11667	12.7
137.06010	2.7
137.09570	2.3
137.13197	2.6
145.10104	4.3
147.11668	36.9
149.13232	4.1
151.11169	3.2
153.12790	0.5
159.11662	4.4
160.12476	0.8
161.09534	0.7
161.13235	17.4
163.11148	2.8
163.14786	11.0
165.12686	4.9
175.14795	5.0
175.98433	0.7
177.12744	2.9
177.16292	1.2
177.94518	0.6
179.14253	2.8
198.18440	5.5
203.17920	22.1
203.19708	1.1
205.15820	0.9
221.15387	3.6
221.18971	100.0
239.08859	9.4
239.16370	0.8
239.19618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.48875	0.4
55.05510	3.6
56.96548	0.9
57.07062	1.0
59.04988	2.2
67.05499	5.7
67.52839	0.5
69.03408	0.8
69.07060	4.5
71.04977	7.5
79.05478	6.2
81.06601	0.6
81.07044	11.7
83.04969	2.0
83.08615	1.0
85.06525	3.1
91.05470	6.1
92.13359	0.4
93.07030	17.5
94.96731	0.5
95.04932	1.8
95.08593	7.9
97.06511	1.1
100.42852	0.5
101.69008	0.5
105.07011	15.2
107.08580	18.4
109.06516	2.1
109.10150	10.2
112.70126	0.5
117.06995	1.0
118.54893	0.5
119.08561	22.7
121.06464	0.9
121.10127	16.2
123.08038	2.5
123.11680	5.0
133.06535	0.6
133.10121	11.1
135.11671	15.6
139.11134	0.6
145.10124	2.2
147.11679	19.3
149.13300	0.7
151.11140	2.7
157.10112	1.0
159.11691	0.6
161.09605	2.3
163.11174	1.0
167.10718	0.5
175.11159	100.0
175.14738	11.1
179.10646	5.3
185.12907	0.6
193.12247	0.7
193.15860	1.2
198.18520	0.7
203.10637	1.0
203.14290	1.1
221.11705	41.3
221.15263	2.4
239.08839	0.7
239.12735	2.7
239.16409	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
51.54100	1.1
54.82156	2.0
55.05502	8.2
57.03432	1.2
59.04987	5.3
67.05492	8.4
69.07055	15.9
69.27665	1.1
71.04984	18.1
72.60443	1.2
79.05482	11.4
81.07047	18.8
83.04975	2.3
91.05471	11.7
93.07026	35.2
94.07372	1.5
95.04948	8.3
95.08585	29.6
97.06493	13.0
99.04398	1.2
105.07011	26.9
107.04880	1.6
107.08578	27.0
109.06465	12.0
109.10148	16.0
111.04449	1.9
111.08071	1.5
117.06944	4.4
118.76172	1.2
119.08555	27.5
120.58083	1.1
121.06486	53.2
121.10122	13.4
122.57530	1.2
123.08029	23.7
123.11691	2.1
123.75707	1.4
133.10106	15.6
135.08040	19.1
135.10637	1.9
135.11664	27.9
137.05995	1.7
137.09607	24.5
137.13240	2.3
143.08574	2.8
145.10124	7.2
147.08000	2.9
149.13216	1.5
151.11150	1.5
151.14835	3.0
159.11719	2.4
161.09595	13.5
161.13237	8.1
163.11156	97.4
175.14815	5.3
179.10745	2.1
179.14272	100.0
185.13222	1.7
203.10475	1.3
203.14230	9.5
221.15329	35.8
239.08951	2.0
253.93445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.81662	1.1
55.01855	0.8
55.05506	12.7
57.03434	1.2
57.06850	0.8
57.07068	13.1
59.04981	4.8
65.03931	1.1
67.05491	15.7
69.03409	2.1
69.07058	17.7
71.04971	6.0
79.05471	13.6
81.07040	30.7
82.07346	0.9
83.04972	3.7
83.08597	4.9
85.02891	11.5
85.06543	7.1
91.05456	14.1
93.07027	67.0
94.07342	1.4
95.04940	9.3
95.08588	60.1
96.08937	0.7
97.02894	1.1
97.06503	1.5
97.10117	1.4
99.04449	1.7
105.07020	24.1
106.07353	1.6
107.04937	1.3
107.08579	42.3
108.08842	1.3
109.06508	17.0
109.10143	24.5
111.04450	9.6
111.08061	4.4
117.07016	3.5
119.08562	39.8
121.06504	4.4
121.10107	18.6
122.10490	1.0
123.04427	1.5
123.08051	6.4
123.11688	11.3
125.05930	1.4
125.09620	1.2
129.06944	1.2
131.08521	4.6
133.10112	26.3
135.08032	3.5
135.11678	33.5
137.05942	4.3
137.09596	100.0
137.13229	4.0
143.08537	1.5
145.10117	5.7
147.08034	17.3
147.11665	11.0
149.13258	6.0
151.07542	1.6
151.11159	3.6
151.14763	1.3
159.11650	1.7
161.09587	4.8
161.13272	6.2
163.11177	6.9
163.14790	2.0
165.09111	7.7
175.14771	21.1
179.14282	1.6
181.12473	1.0
191.17990	1.3
193.15845	24.7
198.18512	14.9
203.14272	9.2
203.17876	7.3
221.15331	45.6
221.18764	2.1
239.08827	11.1
239.16379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03927	0.7
54.25408	0.6
55.01858	1.0
55.05304	0.7
55.05507	11.6
57.03434	0.9
57.07067	12.5
59.04987	1.5
67.05492	14.2
69.03401	0.9
69.06759	0.9
69.07062	12.3
70.07390	0.9
71.04971	5.4
71.58012	0.7
79.05474	11.5
81.07039	25.0
82.07362	4.7
83.04949	2.9
83.08613	3.2
85.02895	12.4
85.06540	6.4
91.04944	1.2
91.05454	13.4
93.07026	59.4
94.07329	3.1
95.04948	11.0
95.08584	45.3
95.09201	1.3
96.08919	1.9
97.06522	3.1
99.04416	1.3
99.08102	1.1
105.07026	13.9
106.07353	1.8
107.08580	35.5
107.09296	1.5
108.08881	1.5
109.06508	16.8
109.10138	19.3
110.10493	1.4
111.04442	11.6
111.08054	6.2
111.11729	0.8
111.48921	0.8
112.08395	1.3
113.33083	1.0
117.06985	4.5
119.08567	34.1
121.06518	3.3
121.10122	17.2
122.10429	1.1
123.04395	3.4
123.08050	6.5
123.11687	9.5
125.05944	1.2
125.09632	1.2
129.06963	1.0
131.08562	2.0
133.10106	25.3
135.08046	1.1
135.11674	29.0
136.12047	1.1
137.05965	3.9
137.09599	100.0
137.13229	1.8
139.07520	1.1
143.08574	1.6
145.10071	4.9
147.08034	15.8
147.11691	4.9
149.09698	0.9
149.13237	5.5
151.07562	1.0
151.11171	3.6
157.10127	0.9
159.11690	1.5
161.09607	4.3
161.13242	4.6
163.11165	12.7
165.09070	10.0
175.14784	16.2
179.10629	1.6
179.14281	3.6
193.15825	18.5
203.14285	7.4
203.17891	1.2
221.15352	40.2
239.08914	1.1
239.16452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.00303	0.8
53.03927	0.7
54.25408	0.6
55.01858	1.0
55.05304	0.7
55.05507	11.6
57.03434	0.9
57.07067	12.5
59.04987	1.5
67.05492	14.2
69.03401	0.9
69.06759	0.9
69.07062	12.3
70.07390	0.9
71.04971	5.4
71.58012	0.7
79.05474	11.5
81.07039	25.0
82.07362	4.7
83.04949	2.9
83.08613	3.2
85.02895	12.4
85.06540	6.4
91.04944	1.2
91.05454	13.4
93.07026	59.4
94.07329	3.1
95.04948	11.0
95.08584	45.3
95.09201	1.3
96.08919	1.9
97.06522	3.1
99.04416	1.3
99.08102	1.1
105.07026	13.9
106.07353	1.8
107.08580	35.5
107.09296	1.5
108.08881	1.5
109.06508	16.8
109.10138	19.3
110.10493	1.4
111.04442	11.6
111.08054	6.2
111.11729	0.8
111.48921	0.8
112.08395	1.3
113.33083	1.0
117.06985	4.5
119.08567	34.1
121.06518	3.3
121.10122	17.2
122.10429	1.1
123.04395	3.4
123.08050	6.5
123.11687	9.5
125.05944	1.2
125.09632	1.2
129.06963	1.0
131.08562	2.0
133.10106	25.3
135.08046	1.1
135.11674	29.0
136.12047	1.1
137.05965	3.9
137.09599	100.0
137.13229	1.8
139.07520	1.1
143.08574	1.6
145.10071	4.9
147.08034	15.8
147.11691	4.9
149.09698	0.9
149.13237	5.5
151.07562	1.0
151.11171	3.6
157.10127	0.9
159.11690	1.5
161.09607	4.3
161.13242	4.6
163.11165	12.7
165.09070	10.0
175.14784	16.2
179.10629	1.6
179.14281	3.6
193.15825	18.5
203.14285	7.4
203.17891	1.2
221.15352	40.2
239.08914	1.1
239.16452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
53.03924	0.6
54.81598	0.4
55.01864	0.7
55.05506	4.0
56.96550	0.4
57.07069	4.4
59.04997	0.6
67.05491	4.6
69.03405	1.1
69.07053	5.3
70.03729	0.5
71.04975	5.9
73.57722	0.5
76.50992	0.4
79.05470	6.7
80.05793	0.8
81.07037	56.3
82.07378	4.6
83.04972	4.4
83.08592	2.1
85.02888	100.0
85.06533	2.7
91.05462	4.9
92.09323	0.4
93.06485	0.6
93.07029	10.4
94.07357	2.2
95.04967	1.9
95.08582	13.5
96.08921	0.4
97.06518	2.4
98.97569	0.4
99.04429	5.1
99.08089	0.6
105.07014	11.1
106.07323	0.8
107.04933	0.7
107.08575	11.0
108.08891	1.1
109.02885	0.8
109.06503	2.6
109.10155	4.9
110.10484	1.0
111.08046	0.9
113.61262	0.6
119.08563	7.3
121.06495	0.6
121.10108	7.0
122.10490	0.6
122.70439	0.4
123.08037	2.8
123.11674	4.4
125.09631	0.7
127.07558	0.5
128.11514	0.5
131.08539	2.2
132.08870	0.6
133.10104	7.0
134.10471	0.5
135.08055	0.6
135.11678	8.9
137.09616	0.8
137.12283	0.5
137.13229	12.3
142.98598	0.5
143.08531	1.0
145.10138	3.0
146.10431	0.6
147.08072	0.9
147.11662	4.4
151.11165	0.7
157.10143	0.8
159.11664	1.9
160.12004	0.6
161.09457	0.9
161.13268	2.6
162.13544	0.5
163.11168	2.8
163.14917	0.9
165.09093	3.6
165.12727	0.5
175.11111	3.2
175.14841	2.0
181.39172	0.4
188.28427	0.5
193.15849	1.8
198.18556	2.2
203.14310	2.0
203.18004	1.1
221.11946	0.8
221.15314	21.9
221.18797	0.7
239.08836	4.6
239.16370	12.5
239.18625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.03937	1.1
55.01860	1.0
55.05496	5.3
57.03421	0.8
57.07047	1.0
59.04987	1.9
67.05497	7.2
69.03410	1.7
69.07059	13.8
71.04984	9.3
76.70750	0.8
79.05479	10.2
81.07037	18.0
83.04950	4.2
85.06532	100.0
91.05450	8.8
93.07020	28.8
95.04936	5.0
95.08595	15.0
97.06488	4.9
99.04430	2.2
105.07011	23.7
107.04934	5.9
107.08582	32.8
109.06493	5.0
109.10168	9.8
111.08050	2.0
113.05990	29.7
113.06752	1.5
117.07027	3.8
119.08549	20.6
121.06509	10.6
121.10136	10.3
123.08038	6.8
123.11721	2.0
127.11214	1.0
129.07008	1.2
130.07806	1.4
131.08534	1.4
133.10112	16.1
135.08025	6.4
135.11673	37.2
137.09595	4.2
143.08519	4.6
145.10109	29.1
147.08060	3.3
147.11642	1.9
151.07491	1.2
151.11134	6.2
157.10094	1.4
159.11691	1.6
160.12434	1.0
161.09550	6.1
161.13213	12.3
163.11156	31.8
163.12479	1.2
170.10844	1.0
175.11090	3.6
175.14816	12.2
177.12827	1.1
179.10672	1.1
179.14340	3.7
181.12215	5.9
185.13162	1.7
195.80157	0.8
198.18425	1.3
203.14270	12.5
221.11807	1.9
221.15344	57.3
238.57495	0.9
239.08832	3.7
239.12590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.30535	1.7
51.84259	1.6
53.03945	3.5
55.01867	8.7
55.05510	21.7
57.03439	13.8
57.07069	9.1
59.04990	12.8
60.17173	1.6
67.05493	37.2
69.03426	7.5
69.07057	41.3
71.04977	80.8
79.05474	42.7
81.03409	2.7
81.07040	100.0
81.07534	3.3
83.04973	9.5
83.08592	4.7
85.06541	9.0
91.05460	54.0
91.05994	2.8
93.07025	67.0
94.95764	2.3
95.04956	16.7
95.08589	63.7
97.06510	32.2
98.97571	4.1
99.04430	23.7
99.08090	3.3
103.05460	3.2
104.13085	2.0
105.04481	2.0
105.07008	83.1
106.07375	1.8
107.04930	3.2
107.08584	70.6
109.06503	32.1
109.10150	34.1
111.04444	2.0
111.08078	9.3
115.05376	2.4
117.07001	14.5
119.08559	80.8
121.06468	19.5
121.10118	30.7
123.08045	32.8
123.11657	21.9
125.09590	3.5
126.21581	1.9
127.54942	1.9
128.06186	2.7
129.07007	4.4
131.08553	18.7
133.10107	55.5
135.08055	11.3
135.11668	38.9
137.09593	17.9
137.13257	3.4
142.07748	3.2
143.08530	14.0
145.10091	27.0
147.08025	10.1
147.11693	18.6
149.09589	11.2
151.11169	44.3
151.14772	3.8
155.42021	2.0
157.10138	3.7
159.11707	10.4
161.09572	20.2
161.13234	26.1
163.11145	33.1
165.09044	3.5
165.12677	2.5
167.10680	2.1
175.11127	3.9
175.14830	14.5
177.00677	3.2
179.10704	3.3
179.14276	67.1
185.13283	10.8
187.88339	1.8
189.50330	1.8
193.12303	2.5
193.15800	3.0
198.18527	10.3
203.10635	2.9
203.14301	27.0
203.17941	7.3
221.15323	83.4
221.18906	4.5
230.27141	2.3
239.08936	16.3
239.16293	23.1
243.81526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89736	0.8
55.01873	1.0
55.05489	0.7
55.40297	0.7
67.05500	1.6
69.03399	1.6
71.04971	5.8
79.05466	1.5
81.07048	3.8
83.58446	0.7
86.27219	0.8
87.04471	0.9
91.05464	6.4
93.07012	4.2
95.04991	1.0
95.08565	1.8
96.01613	0.8
102.35845	0.8
104.84418	0.9
105.07010	13.8
107.04958	1.9
107.08600	4.6
109.06510	5.8
109.10153	1.0
111.08060	1.2
114.57767	0.9
115.05438	1.4
117.07025	3.4
119.08572	13.8
121.06486	1.9
121.10146	1.2
123.08070	1.7
129.06978	6.2
131.08553	11.5
133.06453	3.3
133.10104	13.0
135.08020	3.8
137.09685	1.2
140.27924	0.9
141.06984	4.8
142.07758	57.0
145.10127	6.0
147.08076	1.5
147.11684	5.5
149.09602	3.5
153.05533	0.8
155.10507	1.0
157.10098	100.0
159.07986	1.7
159.11633	3.7
160.08768	4.4
161.09514	1.1
175.11156	65.0
193.12212	41.3
217.12169	1.0
221.11699	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	239.1277
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03940	0.5
54.70522	0.3
55.01860	0.5
55.05511	4.6
56.96552	0.7
57.03429	0.4
57.07060	2.4
59.04985	2.1
67.05499	5.8
69.03397	0.5
69.07058	5.0
71.01324	0.7
71.04974	7.6
75.09345	0.3
79.05484	6.8
80.05796	0.6
81.07039	12.7
82.07367	0.6
83.04983	3.3
83.08582	0.8
85.06515	2.4
89.33053	0.4
91.05453	6.1
93.07021	16.1
94.07328	0.4
95.04948	0.9
95.08588	8.2
97.06512	1.7
97.10202	0.5
99.04427	0.9
105.07012	18.2
106.07339	0.6
107.04975	0.5
107.08579	18.4
108.76470	0.4
109.06496	2.5
109.10136	10.1
111.04424	0.5
111.08096	0.4
116.92274	0.4
117.07022	0.8
119.08559	19.9
121.06478	1.6
121.10123	14.5
122.10472	0.4
123.08054	2.0
123.11686	4.1
131.08525	1.6
131.28871	0.4
133.06531	0.5
133.10107	10.5
133.11058	0.7
135.08012	0.7
135.11674	13.8
137.09595	0.8
139.11201	0.5
143.08559	0.9
145.10091	2.4
147.10609	0.7
147.11679	15.7
151.11143	2.9
157.10103	1.9
159.11678	0.6
161.09598	2.0
161.13216	1.8
163.11108	2.0
175.11153	100.0
175.14688	9.6
179.10637	5.3
179.14209	0.5
192.93108	0.4
193.12219	1.7
193.15880	0.8
198.18457	0.7
203.10609	0.9
203.14296	2.2
221.11703	42.8
221.15309	2.9
239.08852	0.9
239.12756	3.1
239.16451	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58477	0.3
52.87811	0.3
53.03924	1.8
53.57390	0.4
55.01866	4.7
57.03427	12.0
59.04986	6.4
61.02915	11.0
62.64190	0.4
64.57982	0.4
66.95406	0.4
69.03416	23.4
71.01329	2.9
71.04973	2.5
73.02905	5.8
75.25047	0.4
81.03400	9.1
83.01334	1.6
85.02888	100.0
86.03236	0.5
87.04456	4.4
91.03925	3.8
97.02867	20.4
99.04437	3.2
101.02357	3.9
103.03910	1.7
109.02855	8.8
115.03917	5.5
118.26267	0.4
127.03897	14.3
127.04815	0.8
129.01837	2.4
142.91911	0.5
143.03342	0.7
145.04945	13.7
150.05476	0.4
157.01292	4.4
163.05968	3.1
171.02907	0.6
189.03958	2.9
203.05557	2.0
213.68646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.7
55.05503	23.3
55.18383	3.6
56.05856	8.1
57.07068	6.9
58.07423	3.7
59.04996	6.8
61.34449	3.7
67.05501	47.0
68.05820	6.5
69.07063	37.6
70.07399	22.1
71.04987	84.5
72.05317	27.1
79.05476	33.1
80.05791	6.7
81.07042	68.6
82.07373	25.4
83.04977	7.3
83.08620	21.5
84.08943	6.0
85.06535	42.8
86.06861	10.1
86.49373	4.3
91.05468	35.5
92.05790	16.3
92.09277	6.4
93.07033	58.1
94.07368	28.1
95.04928	6.5
95.08606	66.3
96.08940	40.5
97.06539	17.8
98.06847	4.2
105.07023	100.0
106.07358	50.7
107.08588	69.1
108.08923	39.0
109.10165	41.8
110.10493	31.0
111.08083	34.5
112.08430	7.1
117.07005	5.9
119.08566	90.7
120.08891	74.1
121.10149	42.5
122.10420	30.8
123.08055	5.6
123.11703	9.1
124.11985	5.3
127.11208	18.0
128.11494	5.1
131.08546	17.6
132.08923	8.9
133.10115	48.0
134.10419	46.0
135.11691	26.5
136.12045	27.9
137.09599	29.8
138.09950	19.9
145.10107	26.7
146.10411	29.0
147.11711	6.1
147.66748	3.9
150.96938	4.7
152.45189	4.1
159.11694	19.9
160.11990	44.0
161.13226	40.4
162.13585	64.8
164.11546	5.5
174.13585	6.1
175.14784	7.6
176.15175	22.4
178.13211	4.0
178.16672	9.4
180.14610	5.5
192.14636	8.4
192.18344	8.8
201.16437	9.5
202.16740	55.0
218.52893	4.8
219.17361	7.3
220.17760	27.0
238.18810	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.42544	1.8
55.01837	2.0
55.05502	28.9
55.49419	1.9
57.06811	2.0
57.07057	17.6
59.04932	2.1
67.05496	31.5
67.84866	2.1
69.07050	83.5
71.04964	11.4
79.05473	34.0
81.07034	94.9
83.04972	15.4
83.08595	12.9
85.06523	3.7
85.82816	2.3
91.05450	31.3
92.16555	2.2
93.07020	100.0
95.04945	17.4
95.08586	74.6
97.06509	25.3
97.10168	4.8
99.08078	5.1
105.07016	46.2
107.08581	96.9
109.06516	13.2
109.10146	56.0
111.08054	5.0
111.11674	3.5
117.07008	10.2
119.08548	40.4
121.06480	10.7
121.10118	38.6
123.08053	4.4
123.11695	24.5
125.09605	2.7
131.08519	15.2
133.10094	25.0
135.07999	2.8
135.11673	71.3
137.09579	3.8
137.13306	2.7
145.10120	31.4
147.11694	4.9
149.09581	2.9
149.13260	5.0
153.12755	10.2
157.10086	2.5
159.11685	29.6
161.13252	14.5
163.11124	9.8
175.14766	20.9
177.12769	5.2
177.72513	2.7
191.17914	42.6
201.16306	23.8
219.17398	39.1
237.18384	20.5
243.78030	2.4
256.36304	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.71568	2.0
55.01858	2.8
55.05506	24.0
57.03433	4.7
57.07068	4.6
59.04978	3.4
59.70751	1.7
60.94509	1.9
64.66160	2.0
67.05494	21.8
69.03411	32.2
69.07048	20.3
71.04971	70.6
72.49088	2.1
79.05473	28.2
81.07037	100.0
82.82893	2.6
83.04940	3.9
83.08602	4.3
85.06519	5.0
91.05466	30.6
92.09359	4.5
93.07023	49.4
95.04949	12.9
95.08585	34.4
97.06519	13.0
98.10815	2.2
99.08090	12.5
105.07015	76.9
107.08575	46.6
109.06481	39.3
109.10132	29.2
111.08073	3.9
116.72071	2.3
117.07005	15.5
119.08556	21.5
121.06494	11.2
121.10114	23.6
123.08058	12.4
123.11683	24.4
125.09541	2.9
127.07507	3.2
127.11156	46.7
131.08531	20.9
133.10118	54.5
135.08076	4.4
135.11700	14.7
139.11171	3.9
143.08490	2.8
143.10667	3.3
145.10100	38.6
147.11667	11.9
149.09512	2.9
149.13326	3.0
151.11156	56.0
155.10655	13.2
159.11656	15.6
161.13274	9.7
163.11160	2.6
173.13315	4.0
201.16359	12.7
219.13786	3.9
219.17386	19.3
237.14967	2.4
237.18346	20.8
241.90703	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	237.1848
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
50.54866	2.6
51.61579	2.6
55.05498	21.5
56.49195	2.8
67.05506	31.7
69.03423	29.2
69.07048	15.9
71.04976	57.3
77.56865	3.5
78.26131	3.0
79.05471	30.7
81.07037	86.3
83.04956	4.4
84.69052	3.3
85.06528	5.2
87.69521	2.9
91.05460	46.4
93.07017	50.8
95.04946	14.6
95.08594	30.5
95.88866	3.3
97.06474	4.4
99.08094	6.9
100.14055	4.0
105.07014	98.7
107.08591	47.0
109.06484	31.9
109.10143	56.6
111.08079	3.4
117.06989	13.0
119.08558	23.3
121.10132	24.4
123.11638	7.3
125.09624	15.7
127.11142	30.0
127.48953	3.3
131.08563	21.2
133.10117	100.0
135.11684	13.4
137.09593	32.0
143.08620	3.5
145.10120	24.0
147.11674	7.0
151.11163	57.8
155.10675	6.8
159.11607	7.9
163.11186	5.1
173.47853	3.5
175.14804	6.4
177.16367	4.6
201.16345	16.5
219.17407	24.3
237.18459	19.8
238.50894	3.7
240.18564	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	237.1848
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
52.76677	1.0
53.03931	1.7
53.37379	1.1
54.73673	1.0
55.05510	19.8
57.03438	1.5
57.07054	6.0
57.69381	1.0
67.05490	17.2
69.03414	1.8
69.07057	50.6
71.04968	2.6
72.40438	1.0
79.05481	19.0
80.65148	1.4
81.07040	40.9
83.04961	6.9
83.08611	5.4
85.06525	2.4
87.49887	1.4
91.05460	19.9
92.06167	2.0
93.07024	100.0
95.04951	2.5
95.08590	30.7
97.06512	6.0
97.10144	1.8
98.05408	1.3
105.07010	53.4
107.08578	72.8
108.09368	6.1
109.06484	10.6
109.10154	20.5
109.22887	1.4
111.04390	1.7
111.08089	2.9
117.07028	5.4
119.08558	57.2
121.06493	15.6
121.10133	39.8
123.08046	1.6
123.11678	9.6
131.08553	8.6
133.10103	25.3
134.10892	8.8
135.08046	8.7
135.11670	57.0
136.08781	2.1
136.12460	1.8
137.09612	2.1
142.86409	1.4
145.10092	14.6
147.11708	10.3
149.09615	2.3
149.13246	54.2
150.10388	1.5
150.14037	1.6
159.11673	17.8
161.13243	7.4
163.11153	7.8
163.14842	2.3
175.14799	6.0
176.11966	2.7
177.12735	33.4
177.16318	9.1
178.13615	1.4
178.17137	7.2
191.17953	7.9
201.16342	5.4
203.17921	5.6
204.15335	1.4
205.15762	1.6
219.17416	8.8
220.18199	8.3
231.70950	1.4
237.18483	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05507	27.2
57.03423	4.7
57.07065	5.4
67.05488	17.3
69.07059	100.0
79.05466	16.2
81.07040	48.8
83.04962	14.8
83.08586	12.5
84.40093	2.6
85.06548	3.8
86.26908	2.9
91.05456	16.8
92.06241	2.9
93.07029	79.4
95.04984	3.4
95.08601	32.1
97.06488	10.2
105.07019	48.0
107.08585	62.3
108.09335	4.9
109.06501	30.0
109.10178	22.2
111.04412	4.9
111.11680	5.0
117.06977	3.7
119.08564	46.8
121.06495	24.5
121.10128	37.5
123.07993	3.0
123.11720	18.0
131.08543	5.9
133.10124	20.4
134.10883	5.1
135.08012	10.4
135.11673	43.3
136.12387	3.9
145.10109	11.4
147.11668	19.0
149.09579	3.9
149.13235	35.2
159.11664	16.5
161.13206	5.4
163.11104	5.8
165.12581	2.4
175.14917	3.1
177.12701	23.3
177.16299	3.0
178.16995	3.0
191.17912	6.1
196.41844	2.8
201.16359	12.1
203.17941	5.5
207.48433	2.7
219.17421	13.0
237.18439	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
54.84938	2.1
55.05506	30.9
57.07055	11.0
59.04977	3.9
67.05491	28.7
69.03413	4.2
69.07052	60.3
70.03424	2.2
71.04964	10.1
79.05467	26.1
81.07043	100.0
83.04971	11.3
83.08589	11.1
85.02879	19.3
91.05460	5.0
93.07017	51.8
94.07858	3.3
95.04987	8.1
95.08588	53.8
95.09138	4.7
97.06515	33.2
97.10112	4.8
99.08070	3.1
104.08064	2.5
105.07032	24.0
107.08577	47.6
109.06504	10.0
109.10143	32.9
110.52769	2.8
111.08036	5.9
117.06989	5.9
119.08545	16.4
121.06461	4.2
121.10099	25.4
123.11694	25.7
125.09587	3.8
130.07747	2.9
131.08536	12.4
133.10078	5.9
135.08040	10.9
135.11690	26.3
137.09607	3.1
137.13245	14.1
142.15503	2.8
145.10130	17.6
147.11674	3.2
149.13219	4.0
153.12686	5.4
157.10103	2.3
159.11676	13.6
163.11176	4.8
177.12631	3.0
182.26775	2.3
191.17909	14.4
201.16371	13.3
219.17473	22.2
224.60257	2.7
237.18594	20.6
237.20497	2.4
257.14932	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
51.54659	2.3
54.54915	2.7
55.05508	24.9
56.01702	2.6
57.07067	12.3
59.04982	3.5
60.18024	2.5
67.05486	23.8
69.03408	4.1
69.07056	57.7
71.04977	13.3
75.81592	2.7
79.05464	23.8
81.07040	73.6
83.04987	6.3
83.08598	13.6
85.06519	3.5
87.85524	2.8
91.05469	19.4
92.08769	5.2
93.07024	99.4
95.04950	16.5
95.08598	69.5
97.06484	23.6
97.10151	4.5
104.38242	2.7
105.07014	48.2
107.08588	100.0
109.06517	11.8
109.10149	46.7
111.08072	5.0
117.06999	5.0
118.94023	2.6
118.95219	2.9
119.08562	32.7
121.10134	42.0
123.08057	5.9
123.11693	19.1
124.60842	2.9
131.08528	13.0
133.10121	21.9
135.08002	6.5
135.11682	57.8
137.09634	3.2
137.13242	3.4
145.10132	32.0
147.11702	6.5
149.09642	4.7
149.13263	6.5
159.11658	29.9
161.13260	16.2
163.11192	5.7
166.84509	3.6
175.14801	21.8
177.12686	5.6
191.17918	32.8
201.16397	15.8
219.17447	25.9
237.18527	12.6
259.72913	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
51.76978	1.9
53.03932	2.1
54.82364	2.0
55.05504	27.3
57.07056	11.5
60.57879	2.4
61.02913	65.5
67.05483	25.1
69.07056	91.0
71.04969	9.9
79.05471	30.3
81.06599	4.0
81.07042	70.5
83.04972	12.3
83.08583	13.7
91.05447	26.7
92.08694	3.5
92.40585	2.4
93.07026	100.0
95.04965	5.5
95.08587	66.4
97.06520	11.6
97.10155	4.6
98.81827	2.7
105.07014	72.6
105.07661	4.4
107.08580	100.0
108.09357	2.6
109.06515	24.1
109.10149	33.6
111.04403	2.5
111.08073	2.7
111.11716	3.4
117.07005	12.0
119.08559	67.9
121.06457	25.8
121.10117	74.3
123.08000	5.9
123.11706	10.7
131.08554	11.2
133.10109	53.1
135.08037	13.1
135.11671	52.1
137.09610	3.9
145.10088	29.8
147.11644	18.2
149.13214	31.3
150.72845	2.6
159.11674	32.7
161.13211	23.2
163.11119	11.3
175.14793	41.3
177.12747	25.7
177.16344	40.7
178.76016	2.4
182.76619	2.3
191.17944	12.9
198.94456	2.8
201.16312	20.0
203.17946	4.6
219.17410	43.3
237.18404	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.30679	0.9
55.05506	17.0
55.73252	1.0
57.07071	5.2
60.04494	1.1
61.28199	1.0
67.05490	9.6
69.07051	100.0
71.04987	3.1
71.39361	1.3
79.05463	10.9
81.07036	28.1
83.08594	6.1
85.06511	1.9
91.05437	12.4
93.07014	52.2
93.07565	2.4
95.04949	8.1
95.08579	28.1
97.10108	1.8
103.61336	1.2
105.07011	26.2
107.08576	48.3
109.06477	2.1
109.10128	21.7
111.11700	81.3
111.12481	2.7
117.07024	6.3
119.08543	24.5
121.06525	1.6
121.10107	30.7
123.08024	1.3
123.11678	2.6
131.08557	7.3
133.10086	12.2
135.11655	38.7
143.08586	1.5
145.10110	14.7
147.11684	1.8
149.13225	7.6
159.11632	15.8
161.13280	7.8
173.13245	2.0
175.13310	1.8
175.14795	16.1
177.12793	1.8
177.16374	2.8
191.17899	24.1
201.16319	10.6
201.75546	1.3
219.17328	14.0
237.18465	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03935	1.3
55.05500	16.7
57.07060	5.4
59.04993	14.6
66.59862	1.3
67.05495	15.9
69.03417	2.6
69.07053	32.2
71.04966	6.2
75.80521	1.1
77.04845	1.2
79.05477	28.6
81.07039	100.0
83.08602	15.5
85.06515	1.7
91.05470	13.9
93.07021	37.9
95.04935	2.4
95.08585	39.1
97.06517	13.8
97.10152	1.4
105.07014	36.7
107.08580	38.6
109.06504	9.6
109.10142	26.9
111.08067	55.9
117.06968	1.5
119.08554	29.5
121.10121	39.3
123.08021	7.1
123.11691	6.0
127.11173	1.8
131.08562	7.3
133.10112	14.4
135.11678	25.1
137.09615	9.2
138.10384	1.4
139.11183	2.0
145.10103	11.5
147.11716	1.5
149.13219	1.7
151.11169	5.6
159.11676	5.9
161.13240	31.9
163.11140	2.5
163.98628	1.2
175.81506	1.4
179.14337	12.8
191.17952	9.6
201.16385	7.9
219.17311	9.2
237.18446	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	237.1847
Annotation	[1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Peak:m/z	Relative Intensity
52.67901	3.2
55.05492	18.0
57.03426	4.3
57.07051	6.5
57.25835	3.1
59.04980	6.1
59.93307	2.8
67.05484	14.9
68.02380	3.9
69.03413	49.6
69.07050	19.1
71.04978	80.6
77.78869	3.1
79.05459	21.8
81.07042	100.0
83.08587	4.3
85.06539	4.2
88.69186	3.0
91.05462	22.2
93.07021	53.0
95.04950	6.8
95.08585	30.9
97.06512	15.1
99.08062	16.6
105.07007	62.9
107.08578	46.5
109.06506	39.5
109.10152	31.1
111.08046	16.5
114.70695	3.6
117.06996	5.7
119.08530	30.2
121.10117	22.4
123.07987	7.4
123.11658	21.0
125.09637	4.8
127.11173	61.3
131.08527	15.9
133.10107	55.3
135.11662	5.3
137.09518	3.9
139.11127	5.1
143.10628	6.0
145.10124	34.8
146.89734	3.6
150.09668	3.4
151.11160	78.1
155.10632	20.5
159.11668	8.3
161.13264	7.2
167.34085	3.7
201.16406	6.8
219.17351	6.9
237.18481	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03952	1.7
55.01873	1.0
55.05509	10.5
57.07059	3.4
65.03925	0.9
67.05499	22.6
69.03413	23.0
69.07063	12.8
69.20274	0.7
71.04983	9.9
72.38868	0.7
79.05479	31.3
81.07045	100.0
83.04966	1.5
83.08609	3.8
85.06532	2.1
90.46669	0.8
90.65701	0.8
91.05462	15.5
93.07028	40.0
95.04964	5.9
95.08590	24.4
97.06487	9.5
99.04547	0.8
99.08056	1.4
105.04532	0.8
105.07021	32.7
107.08585	36.9
109.06525	9.6
109.10156	22.3
111.08066	5.4
115.05460	0.8
117.07027	6.7
119.08561	19.9
121.06465	1.5
121.10135	17.0
123.08044	5.3
123.11678	5.6
125.09612	5.3
127.11187	4.4
129.07011	1.0
130.07780	1.8
131.08554	11.8
133.10121	16.8
135.08051	3.2
135.11694	18.9
135.81503	0.8
137.09608	1.1
138.10391	1.5
139.11168	1.3
144.09320	1.1
145.10118	19.3
147.11690	4.2
149.13208	1.7
151.11169	10.4
151.30568	0.8
153.12753	1.6
155.10727	0.9
157.10071	1.4
159.11636	15.4
161.13234	11.8
163.11197	2.1
173.13268	4.6
175.14775	1.9
191.14207	0.9
191.17926	1.4
201.16397	10.3
219.13658	0.8
219.17438	6.2
224.39952	1.0
237.18504	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.15960	1.2
53.03940	2.4
55.01863	2.8
55.05508	11.3
57.03428	1.8
57.07069	1.6
58.55142	1.4
67.05491	20.1
69.03415	31.7
69.07063	10.5
71.04977	21.7
79.05470	23.1
81.07038	100.0
83.05003	1.8
83.08600	2.8
85.73026	1.3
91.05460	14.0
93.07020	35.4
95.04940	8.1
95.08596	19.3
97.06503	8.6
99.08067	2.8
105.07011	32.8
105.97774	1.5
107.08588	32.7
109.06480	12.4
109.10152	22.7
111.08073	1.5
117.06943	5.5
119.08595	11.7
119.76245	1.4
121.10126	14.4
123.08038	3.5
123.11694	7.4
125.09602	3.6
127.11190	19.8
127.51818	1.4
131.08562	10.7
133.10114	23.5
135.11668	14.9
145.10107	17.5
147.11652	2.7
151.11159	22.8
151.56555	1.4
155.10660	3.7
159.11667	12.0
161.13191	9.3
163.11166	2.7
173.13145	2.4
201.16318	8.4
219.17436	2.9
237.18411	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03938	2.1
55.01866	2.7
55.05509	11.4
57.07070	3.5
66.30103	1.3
67.05502	19.8
69.03412	31.8
69.07061	15.1
71.04977	28.0
79.05470	30.3
79.47743	1.4
81.07037	100.0
83.04980	2.2
83.08624	2.9
85.06523	3.6
91.05460	18.4
93.07021	40.9
95.04938	7.0
95.08587	24.2
97.05942	2.5
97.06520	11.8
97.10129	2.2
99.08102	3.1
105.07017	42.0
107.08575	39.8
107.94452	1.6
109.06507	19.2
109.10136	27.1
111.08093	2.9
112.39904	1.5
117.06950	5.8
119.08568	19.3
121.10100	16.5
123.08047	6.4
123.11685	9.9
125.09615	3.4
127.11182	18.8
130.07784	1.7
131.08546	16.1
133.10104	29.7
135.11655	13.7
139.11217	1.8
143.10663	2.1
145.10097	21.8
147.11630	4.8
151.11151	28.2
155.10664	8.1
159.11667	14.5
161.13246	11.9
173.13269	2.6
175.14813	2.2
193.33617	1.5
201.16351	12.8
219.17430	7.9
237.18442	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.21320	3.5
52.69689	3.5
55.05490	20.1
57.03425	8.0
57.07054	14.3
57.90603	3.8
59.04974	3.8
67.05500	32.2
69.03424	50.5
69.07056	27.0
71.04987	99.2
79.05475	28.3
81.06606	4.8
81.07047	100.0
83.04933	3.7
83.08582	4.8
85.06510	4.7
91.05470	35.9
92.09286	5.9
93.07036	54.2
95.04953	18.9
95.08577	35.3
97.06467	5.0
99.08059	18.4
103.03757	3.7
105.07016	63.8
107.08572	60.3
109.06506	53.4
109.10163	38.9
117.06994	23.0
119.08574	33.4
121.10107	29.2
123.08062	8.2
123.11674	25.9
125.09569	19.6
127.11183	77.8
131.08528	20.8
133.10106	70.3
135.11665	20.4
143.10666	18.8
145.10117	55.9
151.11177	93.9
155.10649	18.8
159.11662	25.7
161.13228	6.0
177.12720	8.5
189.16270	4.1
191.17909	6.3
201.16377	22.1
214.21625	3.9
219.17392	17.0
237.18436	23.7
240.91057	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	237.1846
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03934	2.3
55.01870	3.3
55.05510	34.1
57.03410	2.7
57.07069	5.1
57.80824	2.2
59.04994	3.3
61.73594	2.2
67.05491	56.4
69.03403	5.0
69.07057	52.6
71.04974	21.7
75.44574	2.5
79.05476	37.4
81.07039	100.0
83.04952	47.8
83.08595	17.5
85.06532	3.7
91.05463	40.2
93.07033	73.6
95.04955	11.4
95.08588	49.6
95.12545	2.8
97.06502	12.3
99.04451	4.4
99.08064	3.6
105.07008	87.4
107.08583	57.3
108.16615	2.8
109.06515	12.8
109.10145	64.6
109.10863	4.7
111.08076	47.9
113.05996	3.1
113.58121	3.5
117.07021	24.8
119.08564	59.2
121.06505	5.1
121.10119	28.4
123.08054	6.3
123.11645	3.9
128.06206	3.5
129.06976	4.0
130.07751	5.7
131.08553	40.3
133.10135	44.5
135.08047	6.4
135.11658	25.1
137.09605	20.5
141.85449	2.6
143.08629	3.5
145.10097	57.6
147.11658	7.1
149.09654	11.5
149.13190	3.1
151.11166	14.1
153.12717	5.7
159.11668	37.2
161.13258	28.4
163.11151	11.6
173.13225	6.9
175.14789	10.7
177.16324	11.6
178.22046	2.9
179.14246	15.3
201.16389	24.6
219.17442	23.1
237.18427	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	237.1847
Annotation	Dehydronerol isovalerate
Peak:m/z	Relative Intensity
50.04290	0.6
53.03909	0.8
55.05503	4.2
57.07069	100.0
64.33636	0.8
67.05489	8.2
69.07040	5.9
71.04985	1.8
76.17078	0.8
79.05473	5.3
80.98898	0.8
81.07037	17.7
82.54835	0.8
85.06532	56.4
88.68970	0.7
91.05477	12.0
93.07024	24.0
95.04933	2.7
95.08073	0.9
95.08581	6.2
97.06530	1.4
99.04433	4.3
105.07028	8.2
107.08586	21.7
109.06510	10.5
109.10170	8.6
113.05996	4.0
117.07004	4.6
119.08559	48.8
121.10133	5.0
123.11715	1.3
127.11170	1.3
132.33214	0.8
133.10135	1.4
135.08072	0.8
135.11690	7.3
137.09595	33.4
145.10123	4.6
151.11163	10.5
155.10669	16.9
159.11679	1.3
161.13304	1.0
163.11133	0.8
181.22972	0.9
191.17953	0.8
201.16396	3.3
219.17410	4.4
219.41765	0.8
237.18465	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	235.1691
Annotation	Confertifoline
Peak:m/z	Relative Intensity
55.01896	0.5
55.05503	5.2
55.05719	0.6
55.06613	0.6
57.07067	4.1
59.04966	0.7
65.03928	1.1
65.51917	0.7
67.05495	41.5
69.03423	0.8
69.07056	21.2
71.04973	9.3
79.05475	8.0
81.07040	23.5
83.04957	2.4
83.08586	1.2
85.06535	0.8
86.85007	0.5
89.24027	0.5
91.05450	8.3
93.07028	9.6
95.04947	3.0
95.08591	4.8
97.06491	1.0
105.07013	14.8
107.08578	10.0
109.06508	2.9
109.10143	100.0
111.08099	0.7
115.05383	0.7
117.07001	3.1
119.04981	0.8
119.08555	10.3
121.06481	6.1
121.10155	5.4
123.08053	0.9
127.11182	4.0
129.06981	3.4
131.08559	5.1
133.06482	1.0
133.10109	10.5
135.08038	10.7
135.11679	0.6
142.07767	2.6
143.08528	3.1
145.10089	0.8
146.07259	1.0
147.08022	2.7
147.11653	1.4
149.09596	2.5
150.10019	0.5
157.10149	4.4
159.11682	3.0
160.08757	0.8
161.09602	11.1
162.25516	0.6
162.52669	0.6
173.13309	0.7
175.11208	5.2
179.10710	1.0
189.16371	0.9
199.14804	1.5
215.80696	0.6
217.15805	5.4
235.16873	6.3
240.67990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.8
53.03929	3.1
54.17238	0.5
54.81326	0.5
55.01848	3.5
55.05494	6.3
56.96540	3.1
57.03427	7.9
57.07069	6.5
59.04982	2.4
61.02913	11.6
64.33028	0.6
67.05495	6.2
69.03416	24.0
69.07053	12.5
70.06561	0.6
71.04972	5.9
71.23041	0.6
73.02903	5.8
79.05474	6.4
81.03398	9.5
81.07036	24.1
83.04951	4.3
83.08589	3.3
85.02887	100.0
85.06538	1.3
87.04441	4.1
91.03947	5.0
91.05456	7.5
93.06480	1.1
93.07020	16.9
95.04932	2.8
95.08005	1.0
95.08583	18.9
97.02863	17.4
97.06499	5.4
97.10146	1.4
98.97557	5.6
99.04420	3.8
101.02383	0.7
105.07001	12.1
107.07868	1.0
107.08574	20.4
107.47392	0.6
109.02864	8.2
109.06503	3.5
109.10140	11.6
111.08047	1.3
115.03835	0.6
116.98585	4.0
117.06983	2.4
117.88569	0.6
119.08541	9.5
121.06483	2.5
121.10102	8.9
123.04417	0.7
123.08038	1.1
123.11678	6.0
125.09587	0.9
127.03072	1.0
127.03893	13.3
129.06902	0.7
131.04846	0.7
131.08559	5.6
133.10117	6.4
134.99661	0.9
135.08032	3.3
135.11667	12.5
137.09581	1.0
137.13206	2.2
144.09381	0.8
145.04942	12.0
145.07570	0.6
145.10106	7.5
147.11629	2.7
149.09593	1.4
149.13162	2.2
151.11186	7.3
153.12694	1.3
159.11642	7.7
160.40349	0.6
161.09505	0.6
161.13235	2.8
163.03893	3.0
163.05984	1.2
163.07387	0.6
163.11121	3.1
172.94238	0.8
175.14708	0.8
177.12726	2.4
177.16397	0.7
185.01093	0.7
191.14217	0.7
191.17905	5.9
201.16327	4.0
219.13824	0.7
219.17406	10.9
237.14742	1.0
237.18506	6.7
257.42697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Confertifoline
Peak:m/z	Relative Intensity
53.00288	2.0
53.03922	2.1
54.49440	1.5
55.05502	9.4
57.07056	3.6
59.14621	1.7
65.03955	2.1
67.05494	9.3
69.03406	2.4
69.07059	8.0
70.26657	1.8
71.04980	86.5
71.05379	3.6
75.49992	1.9
78.67373	2.0
79.05479	22.0
81.07043	44.1
83.04987	5.0
83.08627	2.0
86.99061	1.9
91.05475	19.7
91.14080	2.3
92.09281	4.4
93.03400	3.2
93.07029	23.3
95.04926	8.9
95.08592	10.9
105.06364	2.6
105.07017	35.4
107.08575	25.0
107.63224	1.8
109.06532	10.2
109.10132	9.4
111.04436	4.0
111.08033	2.3
119.05008	2.1
119.08586	15.9
121.06520	3.2
121.10103	4.7
127.11169	100.0
131.08548	8.1
133.10071	16.2
135.08031	15.1
136.08826	2.0
138.84593	2.0
143.08478	4.0
145.10095	2.5
147.08011	4.3
147.11653	3.6
149.09563	2.2
157.10129	3.0
159.11644	3.5
161.09641	14.0
175.14706	3.9
189.16408	3.4
199.14970	2.3
217.15837	9.5
235.16873	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	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
51.87557	2.6
53.03953	3.5
54.81316	3.3
55.01849	3.6
55.05504	25.8
57.07059	5.0
63.59071	2.8
67.05479	30.5
69.03399	4.6
69.07040	20.6
71.04984	30.4
79.05480	39.0
81.03391	6.0
81.07044	100.0
83.04946	8.0
85.06511	4.0
91.05465	51.0
92.08978	3.9
93.06512	5.0
93.07034	72.4
95.04957	54.7
95.08594	59.0
97.06480	5.1
105.06382	4.0
105.07025	72.5
107.08582	56.7
109.06490	18.4
109.10141	23.4
117.06989	14.4
119.08579	61.4
121.06467	4.3
121.10143	27.8
123.08057	40.2
123.11688	7.1
127.07448	4.1
128.06175	5.0
129.07004	5.3
130.07837	3.8
131.08554	36.4
133.09229	4.0
133.10080	32.7
133.89912	3.4
135.08011	5.4
135.11714	13.8
137.09569	20.0
142.07791	6.2
143.08539	19.5
144.09311	5.2
145.10092	15.2
147.08098	5.0
147.11601	28.3
149.09578	5.3
149.13297	4.4
157.10155	33.6
159.11670	49.6
161.09586	4.7
161.13193	3.6
163.11134	6.3
165.12708	13.0
171.11586	7.0
173.13214	6.7
175.11096	4.7
175.14792	8.1
177.12698	6.1
189.16382	7.8
199.14813	58.0
217.15858	38.8
235.16867	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	235.1693
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03931	3.5
54.73962	3.9
55.01870	4.6
55.05507	31.5
56.61509	3.6
57.03428	41.4
59.04977	6.6
67.05500	51.4
69.07061	33.5
69.46227	3.5
71.04966	26.2
79.05476	53.1
81.07044	92.0
83.04955	9.8
85.06512	5.6
91.05461	72.6
93.07027	72.8
95.04961	18.8
95.08601	51.8
97.06580	13.3
101.03551	3.7
105.07029	100.0
107.08588	59.2
109.06522	26.2
109.10149	46.6
111.08051	6.6
113.09617	4.9
117.06985	22.3
119.08574	72.4
121.06451	6.0
121.10137	15.4
123.08045	7.8
129.07004	5.7
131.08556	45.5
132.45494	3.8
133.10123	64.1
135.11688	8.7
137.09618	5.0
142.07770	9.0
143.08543	16.2
144.09335	5.1
145.10127	22.0
147.11629	29.5
149.09636	9.3
152.96265	4.0
157.10168	31.8
159.11659	28.8
161.09610	10.1
163.11230	7.3
170.71732	4.2
171.11726	8.2
173.13271	7.8
175.14856	31.8
177.12674	5.8
181.19370	4.4
184.57132	4.5
189.16353	9.5
199.14812	9.2
217.15880	27.8
224.15346	4.0
235.16946	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	235.169
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.00404	2.8
53.03936	4.0
55.05504	33.8
57.03421	4.4
57.07058	8.1
59.04984	3.3
63.94701	2.9
67.05492	55.0
69.07043	23.0
71.04974	20.0
79.05473	32.9
81.07037	80.7
83.04972	7.4
83.08620	4.0
85.06524	8.8
91.05457	40.6
93.07030	50.8
95.04958	8.5
95.08572	35.0
97.06512	21.4
97.10055	3.7
98.29469	3.2
99.04430	7.8
105.07007	71.0
107.08590	47.6
109.06490	20.0
109.10139	100.0
111.08068	15.8
117.07035	6.3
119.08550	66.3
121.10111	24.1
123.08036	22.1
125.09637	5.9
129.06929	5.8
129.35425	4.7
130.02640	3.3
130.09549	3.2
131.08559	27.7
133.10101	87.2
135.08064	7.4
135.11676	8.3
135.79416	3.4
137.09576	20.2
137.35692	4.2
142.07726	6.2
143.08575	7.9
145.10123	19.9
147.08018	4.9
147.11676	34.1
149.09599	7.1
151.11179	7.4
156.09520	4.2
157.10152	26.3
159.11674	28.0
161.09583	8.2
163.11183	6.7
171.11687	4.6
173.13205	5.6
175.11179	18.7
175.14789	41.6
177.12770	14.2
189.16408	6.7
193.15758	7.9
199.14810	8.7
217.15756	25.2
218.10983	3.5
234.12634	3.9
235.16890	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Confertifoline
Peak:m/z	Relative Intensity
53.00293	2.1
55.05504	3.3
60.94615	1.9
62.41261	1.5
63.58518	1.9
66.63193	1.6
67.05484	3.6
69.07063	7.3
70.42141	1.6
71.04977	91.4
79.05473	8.0
81.07037	19.6
91.05466	10.5
93.07039	10.1
95.08599	3.4
99.04488	1.9
103.56137	1.7
105.07038	16.2
107.08572	13.5
109.06491	3.5
109.10140	4.0
119.08572	9.2
121.06491	3.8
121.10131	2.4
126.93293	1.7
127.11174	100.0
128.30864	2.0
131.08559	2.3
133.10095	3.1
135.08034	7.2
145.10097	2.6
146.07285	2.4
147.11705	3.1
157.10129	2.6
159.11682	2.4
161.09590	13.0
190.61870	1.9
208.94244	2.2
217.15854	8.3
235.16928	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	235.1691
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03943	6.1
54.81327	3.2
55.01863	17.6
55.05507	31.3
55.06292	3.7
57.07071	5.0
59.42601	3.4
63.74085	3.2
67.05489	39.8
69.03413	7.0
69.07053	27.7
71.04980	16.6
79.05476	46.7
81.07045	95.2
83.04980	28.2
85.61136	4.4
91.05463	61.6
93.07035	81.7
93.07586	6.6
95.04943	23.7
95.08582	73.4
97.06507	6.2
105.07008	100.0
105.07655	5.6
107.08580	68.5
109.06526	15.0
109.10151	26.3
111.08074	16.4
117.07007	25.4
119.08553	85.4
121.06513	5.7
121.10132	32.2
123.08033	7.3
125.09627	15.5
128.06200	6.6
129.07025	6.6
131.08549	45.1
133.10101	47.8
135.08051	19.2
135.11719	5.0
137.09615	6.1
142.07796	17.4
143.08543	41.1
145.10109	32.0
147.11664	31.7
149.09767	5.0
151.11188	4.1
157.10120	20.8
159.11630	14.1
161.09601	22.9
161.13272	6.9
163.11212	6.4
167.10773	4.6
173.13310	13.7
175.14853	8.5
179.10669	4.8
189.16385	15.4
199.14801	14.9
217.15846	29.1
235.16870	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
50.28905	0.7
51.67380	0.7
53.03942	1.0
55.05500	3.4
57.06866	0.6
57.07074	7.6
59.31326	0.9
59.72242	0.8
66.15076	0.7
67.05141	1.5
67.05495	39.2
69.07056	21.7
71.04985	10.4
74.93875	0.7
79.05478	11.3
81.07040	38.4
83.04964	1.2
83.08605	1.0
83.40434	0.9
85.06528	6.0
88.99678	0.8
89.25642	0.8
91.05444	6.5
91.05941	0.8
93.07031	6.9
95.08585	4.6
97.06513	1.2
105.07014	13.5
107.08591	11.1
109.06544	3.9
109.10148	100.0
111.04439	7.4
117.07017	2.0
119.08580	5.2
121.06492	8.6
121.10123	3.4
123.08051	0.9
127.11221	4.1
131.08537	2.0
133.10126	10.7
135.08025	10.6
147.08051	1.9
147.11658	1.8
149.13264	1.2
151.11140	1.1
157.10165	1.0
157.97160	0.9
159.11687	1.4
161.09579	12.6
168.51106	0.9
175.11176	5.6
175.14769	2.0
177.12791	1.3
189.16368	1.8
193.15887	1.3
217.15881	5.2
235.16949	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	235.1692
Annotation	Confertifoline
Peak:m/z	Relative Intensity
53.03941	1.4
53.51720	1.1
54.82081	1.2
55.01862	2.4
55.05506	11.5
57.07040	1.1
65.03911	4.7
67.05493	48.3
69.07053	24.2
71.04959	6.0
79.05469	24.3
80.16521	1.1
81.07037	62.5
83.04956	9.0
83.08612	1.2
91.05460	26.2
92.09330	1.3
93.03371	6.7
93.07015	22.2
95.04941	5.0
95.08583	6.7
105.07010	31.3
107.08581	37.2
109.06477	6.3
109.10139	100.0
111.08057	2.0
117.06980	4.9
119.04880	2.8
119.08556	13.5
121.06480	7.7
121.10075	9.4
121.42377	1.2
127.11157	4.4
128.06232	1.3
129.06969	3.0
131.08533	10.6
133.10085	15.9
135.08017	20.9
142.07764	2.2
143.08487	5.3
145.10132	1.8
147.08061	2.9
147.11649	5.5
149.09592	2.8
157.10123	5.2
159.11633	1.6
161.09601	15.8
173.13268	4.5
175.11163	5.7
179.10608	1.5
199.14713	1.9
217.15816	11.3
220.89224	1.1
235.16806	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	235.1692
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.04963	1.6
51.88574	2.0
53.03929	4.2
55.01851	3.1
55.05514	13.7
57.03117	1.8
57.03428	2.1
57.07071	23.1
59.04987	3.5
63.27932	2.0
65.64500	1.9
67.05490	20.5
69.03413	4.0
69.07059	17.0
71.04980	5.3
79.05478	27.6
81.07040	100.0
83.04971	5.2
85.06549	10.0
91.05461	26.8
93.07027	32.4
95.04967	5.3
95.08574	25.7
97.06541	3.6
99.62518	2.1
105.07019	61.0
107.08581	38.1
109.06519	15.2
109.10150	18.0
111.02709	2.3
111.04390	21.4
117.07024	9.5
117.56708	2.2
119.08565	42.2
121.06500	9.7
121.10135	19.0
123.08035	9.4
123.11697	5.4
129.06982	3.4
131.08549	27.8
131.50107	2.1
133.10114	38.1
135.08051	13.6
135.11653	5.1
137.09563	2.4
141.83701	2.3
142.07811	3.6
143.08560	3.6
144.09363	2.6
145.10120	5.3
147.08072	2.4
147.11710	19.9
149.09647	4.7
149.13255	13.2
151.11172	20.0
156.09331	3.3
157.10139	17.6
159.11668	19.9
161.09633	4.3
161.13283	8.3
165.09171	3.7
173.13196	4.5
175.11140	10.0
175.14774	18.2
177.12756	14.7
179.10661	3.2
189.16389	11.6
193.15906	2.8
199.14938	3.6
207.17448	4.0
216.19112	2.6
217.15875	22.7
235.16837	26.8
240.70729	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	235.1692
Annotation	(E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03937	2.3
54.81455	1.2
55.01870	2.2
55.05499	7.7
57.07070	100.0
59.27100	1.1
62.60526	1.1
67.05494	8.7
69.03405	1.9
69.07054	10.5
71.04980	2.0
79.05464	11.5
81.07038	12.1
83.04927	1.4
85.06535	31.0
91.05473	19.5
92.08770	2.0
93.07030	22.7
95.04949	5.9
95.08593	6.0
97.06498	11.4
105.07018	25.7
107.08563	18.4
109.06509	3.2
109.10116	1.4
117.07000	6.5
118.07792	1.4
119.08550	13.4
121.10087	5.2
123.11715	1.9
129.06956	2.0
130.90430	1.3
131.08525	2.9
133.10127	20.6
135.08035	27.0
139.11189	2.5
143.08553	1.9
147.11653	2.0
151.11136	2.7
157.10123	6.5
159.11671	2.3
161.09659	2.9
173.13263	1.7
175.11118	1.5
175.14835	2.9
177.12679	2.1
188.51787	1.7
199.14827	2.1
217.15898	6.6
235.16965	9.9
248.55441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03956	1.6
55.05503	10.4
57.07067	66.1
63.35608	1.4
67.05491	16.9
69.03414	6.8
69.07056	19.0
71.04981	5.5
71.55180	1.2
79.05479	30.2
81.07040	100.0
83.04968	5.8
85.06532	30.3
88.26816	1.3
91.05463	20.9
93.07028	21.9
95.04943	7.5
95.08595	26.5
97.06483	5.4
99.04417	2.2
99.08024	1.3
105.07014	34.0
107.08587	33.4
109.06494	7.6
109.10165	12.5
109.91513	1.3
111.04436	22.9
111.08040	2.2
115.05437	1.6
117.07004	7.0
119.08568	23.4
121.06493	1.6
121.10134	8.4
123.08039	8.2
123.11700	6.3
125.09632	2.4
128.06224	1.6
129.06924	1.6
130.07631	1.6
131.08540	11.5
133.10098	30.9
135.08044	31.0
135.11620	1.9
137.09554	2.9
142.07774	3.4
143.08545	7.5
145.10118	7.0
147.08051	1.6
147.11674	13.3
149.09572	2.8
149.13252	3.2
151.11153	6.8
155.10689	1.8
157.10097	9.5
159.11662	7.2
161.09572	22.3
161.13231	1.9
171.23857	1.3
173.13264	1.5
174.05478	1.3
175.11133	2.8
175.14821	3.4
176.96774	1.3
177.12617	1.4
179.00684	1.4
189.16330	5.8
199.14734	6.0
216.65131	1.5
217.15846	8.8
235.16896	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	235.1692
Annotation	(E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.78588	1.1
55.05503	1.7
57.07069	100.0
61.35324	1.0
62.84789	0.9
67.05495	6.0
69.03410	2.2
69.07054	2.6
71.04977	1.2
79.05460	9.5
81.07038	7.0
85.06534	37.7
91.05475	8.6
93.07026	6.5
95.04964	4.3
95.08591	2.4
99.04475	1.5
105.07020	10.3
107.08590	11.4
109.06498	6.0
109.10134	1.4
111.04440	1.7
117.07006	4.3
119.08549	2.0
131.08543	5.9
133.10114	7.2
135.08038	59.3
137.09599	1.3
139.95862	1.2
143.08566	1.5
147.08041	1.5
149.09598	1.5
151.11191	1.3
155.10652	6.2
157.10155	1.7
159.11635	2.7
161.09610	1.8
166.65854	1.4
175.11188	1.3
175.14809	1.3
188.96017	1.0
217.15884	1.2
235.16927	7.3
242.67169	1.1
250.83337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03938	8.1
53.05982	1.6
55.01856	4.2
55.05502	26.3
57.79898	2.0
59.04953	2.2
65.03916	9.8
67.05492	32.5
68.74750	2.1
69.03425	4.3
69.07061	18.9
71.04986	2.2
79.05057	3.1
79.05478	57.7
81.07040	100.0
83.04973	29.7
91.05462	58.8
92.09353	4.9
93.03368	23.2
93.07025	51.0
95.04944	14.1
95.08585	20.3
97.06511	2.2
98.62567	2.1
105.06362	4.0
105.07015	77.0
107.08581	77.5
109.06490	24.2
109.10128	14.2
111.08035	4.1
117.07012	18.8
119.04937	12.0
119.08556	44.6
121.06472	9.5
121.10118	21.8
123.08020	4.1
128.06194	3.2
129.07001	12.0
131.08530	26.2
133.06499	3.3
133.10121	34.1
135.08020	43.9
142.07777	19.2
143.08562	17.6
145.10124	10.0
147.07988	9.1
147.11636	13.0
149.09558	17.6
154.03891	2.2
156.09343	3.8
157.10075	21.3
159.11627	16.4
161.09631	13.0
161.13280	4.0
171.11736	2.6
173.13179	4.5
175.11148	5.0
175.14742	8.7
189.16348	4.7
195.08710	2.0
199.14796	11.5
217.15846	25.5
218.93243	2.2
235.16916	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	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
50.58650	2.2
51.35851	2.1
55.05506	12.1
57.07075	57.6
58.57070	2.3
67.05500	20.8
69.03434	3.0
69.07051	13.0
71.04988	25.7
79.05481	26.6
81.07047	69.8
84.17974	2.7
85.06537	23.1
91.05482	33.6
93.07027	37.2
95.04965	5.5
95.08594	55.1
97.06500	6.4
99.04461	3.1
105.07027	48.9
107.08592	60.7
109.06494	27.2
109.10128	13.2
115.05453	2.6
117.06989	12.8
119.08558	41.6
121.06523	11.0
121.10105	15.4
123.08060	53.2
127.07557	4.4
128.06245	4.0
129.06989	4.6
131.08533	25.1
133.10110	27.6
135.08032	38.3
135.11653	5.3
137.09587	18.1
142.07765	12.2
143.08582	14.3
145.10121	4.0
147.11699	16.7
149.13217	4.4
151.11169	5.4
156.09348	2.9
157.10121	41.9
159.11696	50.0
161.09604	17.5
165.12755	16.2
171.11803	3.4
173.13193	6.7
175.11200	26.4
175.14793	24.1
177.12726	13.6
189.16379	4.4
193.15858	3.2
199.14809	100.0
217.15887	46.4
235.16905	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.28284	1.9
53.03942	3.8
55.01886	2.6
55.05503	19.4
60.00883	2.1
65.03928	2.9
67.05492	20.5
69.03416	62.9
69.07054	10.4
71.04967	6.1
74.82955	2.1
79.05480	30.8
81.07044	59.2
83.04976	3.2
83.08605	2.1
83.85272	2.2
85.06512	3.1
88.25964	2.2
91.05457	51.0
92.09098	5.8
93.07021	39.5
95.04948	12.2
95.08614	19.0
97.06516	20.5
99.39056	2.2
105.07019	100.0
107.08587	45.5
109.06497	24.3
109.10162	20.9
111.08057	2.3
117.07043	8.7
119.08569	30.7
121.10112	10.4
123.08047	4.5
123.11701	6.0
125.09615	14.2
128.06209	3.6
129.06964	5.9
131.08542	20.6
133.10112	79.2
142.07712	4.8
143.08539	11.5
145.10109	10.2
147.11665	5.5
149.09714	2.9
151.11182	31.0
156.09367	2.5
157.10120	12.5
159.11685	15.1
161.09460	2.6
163.50389	2.6
171.11778	2.3
173.13228	2.7
175.14813	4.8
189.16373	4.9
191.14424	2.5
199.14781	4.7
217.15921	9.5
235.16989	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	235.1692
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.11625	1.5
53.03946	2.3
54.81639	1.9
55.01868	2.3
55.05507	19.1
60.00882	1.6
60.50477	1.8
67.05497	24.1
69.03416	68.4
69.07072	8.7
71.05001	13.3
73.19186	2.4
79.05473	34.0
81.07035	54.2
81.07468	2.3
83.05004	3.2
83.08645	2.4
86.61178	1.9
91.05463	42.2
93.07020	43.1
95.04971	11.8
95.08611	19.8
97.06509	20.6
105.07008	100.0
107.08568	40.9
107.09184	2.5
109.06488	23.7
109.10178	19.4
111.08054	2.0
117.07017	7.7
119.08553	28.9
121.06526	4.2
121.10155	10.1
123.08053	12.7
123.11716	4.3
125.09620	18.8
128.06242	3.3
129.07007	4.0
130.07793	2.4
131.08542	20.5
133.10104	75.5
133.11018	3.7
136.94987	2.2
142.07788	4.0
143.08568	12.8
145.10153	13.4
147.11708	4.7
151.11125	24.3
157.10161	11.5
159.11723	10.2
161.09692	2.5
161.13266	2.2
173.13278	2.7
175.11176	2.1
189.16380	3.9
199.14758	4.4
217.15891	7.9
235.16919	9.0
251.60461	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03941	3.5
55.01863	3.8
55.05492	27.6
57.07046	5.8
57.22452	3.4
67.05490	42.1
69.03402	9.3
69.07046	37.4
71.04969	9.3
73.06528	6.0
75.86930	4.6
79.05476	58.8
81.07039	95.4
83.04956	18.3
88.48637	4.5
89.93687	3.8
91.05466	64.8
92.08651	4.4
93.07023	84.1
95.04944	17.5
95.08598	57.2
97.06526	6.7
105.07011	100.0
107.08576	65.1
109.06518	41.0
109.10131	23.5
111.08016	4.9
117.06996	17.9
119.08566	75.3
121.06580	4.9
121.10126	30.1
123.08056	6.4
128.06146	5.8
129.06992	7.9
131.08521	44.7
133.06516	4.8
133.10115	84.4
135.08054	17.9
135.11705	7.0
137.09615	9.7
142.07774	16.1
143.08537	27.0
145.10129	24.2
147.08034	5.1
147.11641	26.2
149.09564	9.7
156.09381	4.2
157.10118	20.9
159.11633	17.9
161.09593	21.6
163.11136	23.4
171.11610	4.7
175.14839	8.5
189.16292	28.0
199.14905	7.7
217.15923	31.5
235.16916	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	235.1691
Annotation	Rishitinol
Peak:m/z	Relative Intensity
54.12159	2.0
55.01865	3.0
55.05093	2.3
55.05502	17.6
57.53545	2.3
59.04968	2.2
60.13777	2.1
60.24273	2.0
65.99032	2.2
67.05500	38.0
69.03397	2.4
69.07047	14.8
71.04964	14.2
79.05470	54.7
81.07037	100.0
83.04953	12.5
85.06522	10.0
91.05461	49.5
93.07023	52.0
95.04936	21.3
95.08570	35.7
97.06505	14.3
99.04417	3.9
103.05422	3.3
104.79139	2.3
105.07008	69.0
107.04881	2.8
107.08572	49.3
109.06499	21.4
109.10122	11.7
111.08053	4.1
116.06201	2.4
117.06998	22.3
119.08563	48.3
121.06501	11.2
121.10098	11.4
122.07269	10.1
123.08052	10.5
124.03932	2.5
125.09612	3.3
128.06171	3.9
129.06978	15.1
131.08539	47.0
133.10100	51.1
135.08034	11.1
135.11630	3.1
137.09511	3.8
142.07724	13.0
143.08510	22.9
144.09341	13.3
144.41612	2.7
145.10086	5.8
146.12294	2.5
147.08047	3.3
147.11710	7.6
149.09583	11.1
149.13295	2.6
157.10114	32.8
159.11668	97.8
161.09595	5.8
171.11620	4.2
173.13210	14.1
175.14786	4.0
177.12697	16.8
189.16354	4.0
199.14709	24.0
217.15816	24.9
235.16835	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	234.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
54.81714	5.7
55.01865	11.0
55.05509	73.7
59.04989	5.5
59.20745	4.1
65.03931	4.0
67.05490	65.5
69.03413	56.8
69.07053	11.1
71.05005	4.1
71.83744	3.7
79.05477	54.5
80.06258	17.1
81.03406	4.4
81.07043	100.0
81.07487	7.3
82.07402	4.9
82.07825	6.3
83.04968	47.2
89.06020	6.6
91.05453	50.7
92.06257	5.4
92.08712	6.0
93.07030	95.0
93.07570	7.4
94.07813	6.2
95.04958	49.1
95.08590	44.3
96.05743	44.1
97.06532	50.0
97.10155	7.1
99.18534	4.3
101.05976	8.7
105.07020	92.6
107.04939	20.3
107.08603	75.0
108.05715	16.1
109.06510	79.4
109.10131	6.2
110.07290	8.5
111.04432	73.4
111.08089	26.5
117.07028	38.2
119.08573	76.8
120.09338	6.7
121.06499	11.0
121.10111	10.5
122.07312	8.6
122.83514	5.1
123.04428	5.4
123.08023	50.4
124.08835	7.7
125.06017	5.9
125.09621	46.0
129.05464	9.9
129.06970	5.5
131.08557	55.7
133.06488	11.2
133.10110	34.3
135.08057	52.1
136.08846	6.1
137.09610	11.1
138.10374	19.1
139.93225	5.1
140.84576	4.7
142.35281	4.5
143.08559	10.5
145.10133	43.4
146.10651	6.8
147.08012	10.2
147.11652	8.8
148.08841	9.1
149.09613	18.0
150.10458	6.7
151.07539	19.8
153.09099	47.1
155.07011	66.2
157.10077	10.9
159.08051	7.1
159.11667	44.9
161.13257	39.0
163.11171	8.4
165.09088	5.1
173.08109	52.5
173.09486	8.0
173.13199	8.6
175.14810	6.5
179.10716	7.6
183.11716	7.5
201.12730	9.3
205.12225	7.4
217.10703	75.6
219.13725	17.3
223.94118	5.4
234.15863	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	235.1692
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03935	3.2
53.74418	2.5
54.58613	2.6
55.01857	19.2
55.05507	28.8
59.04989	6.1
67.05491	51.8
69.03416	5.0
69.07050	34.0
71.04975	21.9
74.28059	3.6
79.05474	48.3
81.07040	100.0
83.04964	41.5
83.08591	5.5
89.69695	3.5
91.05456	72.6
93.07024	83.1
95.04934	17.9
95.08585	61.3
105.07019	90.1
106.23466	3.4
107.04939	4.7
107.08572	50.5
108.83035	3.2
109.06496	20.6
109.10164	24.4
115.05484	5.1
117.07000	17.7
119.08559	82.2
119.19859	3.4
121.06521	5.3
121.10113	15.4
123.08014	13.6
127.11167	6.8
128.06261	6.1
129.07024	4.8
130.07838	4.5
131.08539	42.6
133.10115	48.9
135.08009	17.3
135.11711	3.9
135.90215	3.5
137.09538	6.9
141.06998	4.3
142.07765	20.7
143.08524	27.9
145.10106	23.1
147.11668	23.4
149.09653	32.0
156.09251	3.7
157.10068	25.1
159.11687	14.4
161.09608	19.0
173.13240	4.0
175.11195	7.8
175.14738	7.5
179.10663	6.7
187.14845	3.4
189.16347	4.2
199.14828	7.4
203.70393	3.1
217.15846	14.9
218.10924	3.6
235.16862	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
52.96474	3.6
53.67963	3.1
55.01867	6.2
55.05499	29.3
55.19472	3.7
57.07066	18.5
59.04996	7.1
67.05497	37.5
69.03426	7.5
69.07050	21.2
75.47186	4.0
79.05473	54.6
81.07042	65.8
83.04963	7.7
88.56387	4.6
91.05461	77.9
93.07024	57.5
95.04942	28.1
95.08585	37.7
97.06474	6.0
98.20808	4.2
101.34160	4.3
105.07018	100.0
107.04947	8.1
107.08594	48.8
109.06515	31.0
109.10144	23.5
115.05412	9.0
117.06993	51.8
119.08562	90.3
121.06478	22.3
121.10126	21.2
123.08026	8.2
128.06160	6.5
129.06989	23.6
131.08534	84.0
133.06482	10.5
133.10083	34.2
135.08061	7.3
135.11691	4.4
137.05916	6.2
141.06979	7.5
142.07751	5.6
143.08549	9.6
144.09352	5.2
145.06442	5.9
145.10094	82.3
147.08069	23.3
147.11650	30.2
149.09627	24.0
155.08557	21.1
157.10159	30.9
159.08051	41.8
159.11670	29.9
161.09627	6.6
167.08536	6.3
169.10135	11.0
171.11700	28.1
173.09592	27.6
173.13228	20.7
175.11110	18.6
177.09091	8.3
182.10867	8.8
187.11153	22.4
187.14798	21.4
189.04716	4.3
197.13194	47.1
205.15923	5.2
215.14278	81.9
233.15285	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.97468	0.7
53.00296	0.9
53.03942	1.0
55.05506	22.9
56.99943	0.8
66.87836	0.8
67.05494	3.7
69.03435	8.1
69.07054	3.7
69.97027	0.9
70.63160	0.9
71.04964	1.7
77.81971	0.9
79.05477	13.0
81.07045	10.4
83.04967	100.0
91.05468	20.9
92.12486	1.0
93.07035	12.4
95.04953	5.8
95.08596	5.9
97.06497	2.1
105.07023	26.8
107.08576	9.8
109.06503	3.9
111.04437	1.0
115.05481	1.7
117.06980	7.5
119.08548	25.5
121.06510	3.8
121.10107	4.5
123.08065	3.8
123.50462	1.0
128.06235	1.6
129.07036	1.8
130.07750	1.1
131.08557	16.0
133.10123	12.1
135.08009	15.7
142.07805	1.3
143.08546	2.0
145.10121	16.5
147.08069	8.5
147.11667	8.2
149.09602	7.5
153.09016	1.2
155.08598	1.5
157.10109	2.3
158.07362	1.5
158.10823	1.4
159.08006	2.1
159.11679	4.4
161.09584	4.4
169.10089	1.6
171.11696	1.4
173.09644	1.7
173.13199	7.5
175.11147	4.3
177.09077	1.8
187.14841	4.9
191.14445	1.6
197.13248	1.2
215.14262	6.3
233.15358	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
54.81552	1.3
55.05500	5.8
57.82626	1.2
67.05484	2.0
69.07058	2.7
72.66199	1.4
79.05502	5.4
81.07050	7.1
91.05466	15.1
93.07022	8.0
95.08587	2.2
97.06515	1.4
103.82146	1.5
105.07021	62.6
106.48334	1.8
107.08609	10.7
109.06509	2.0
117.06999	5.9
119.08574	50.3
129.06987	6.7
130.07755	1.8
131.08553	15.1
132.09302	2.5
133.10097	7.4
135.11784	1.8
141.06949	1.6
142.07758	15.2
143.08597	3.3
145.10117	20.8
147.11670	100.0
149.09586	3.5
157.10129	23.5
159.11662	2.0
171.11671	2.0
173.09641	1.7
173.13251	2.9
175.11172	24.2
187.14825	5.8
189.16408	6.4
197.13298	2.3
205.15874	9.2
215.14278	3.5
233.15346	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03943	3.8
53.86840	2.4
55.01861	2.9
55.05507	24.1
56.80322	2.5
57.03411	2.4
58.07478	3.1
63.19434	2.7
67.05496	30.7
69.03419	52.0
69.07053	7.3
71.04973	6.4
71.76122	2.9
73.16383	3.2
75.33680	2.7
79.05479	49.0
81.06595	5.8
81.07042	98.5
81.55591	3.1
83.04963	100.0
91.05465	49.6
92.09261	8.1
92.49867	3.4
93.07021	39.8
95.04950	26.3
95.08584	57.9
98.97585	4.9
99.66649	3.2
105.07029	66.1
107.04945	6.0
107.08582	48.2
109.06515	45.0
109.10144	4.8
115.05447	3.7
116.06156	4.3
117.07001	22.4
119.04892	5.6
119.08567	41.8
121.06482	13.0
121.10122	14.7
123.08060	35.2
124.08841	6.3
128.06168	18.1
129.06993	15.7
130.07765	13.4
131.08546	47.2
133.06508	4.8
133.10114	25.6
135.08043	15.7
137.05957	5.2
137.09608	6.1
142.07758	4.5
143.08559	47.8
144.09361	4.5
145.06482	5.3
145.10118	58.5
147.11684	16.1
149.09633	7.8
151.07547	27.0
152.08302	60.8
155.08524	4.3
156.09225	3.9
157.10069	14.5
159.08017	4.0
159.11623	22.1
160.08830	5.6
161.09592	38.7
163.11192	12.2
165.09062	6.5
169.10031	4.1
170.55598	3.5
173.09557	14.4
173.13332	7.4
175.11084	6.6
175.59079	2.9
182.10860	4.8
187.11134	5.2
187.14793	6.2
197.13321	4.6
215.14265	16.5
233.15321	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53895	33.3
57.07431	33.5
69.53822	34.4
72.08132	100.0
93.99232	42.7
110.43044	41.3
112.65025	35.4
112.81272	35.2
122.62981	38.1
136.81473	49.4
163.64278	44.3
233.04298	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hofmeisterin III
Peak:m/z	Relative Intensity
53.03922	0.8
53.93258	0.7
54.81574	0.9
55.01862	1.4
55.05502	20.9
58.30283	0.8
59.04972	0.9
67.05489	5.1
69.03402	5.1
69.07042	1.8
75.48197	0.8
79.05459	8.3
81.07038	9.0
83.04967	100.0
91.05464	16.1
93.07030	10.9
95.04937	4.9
95.08583	6.7
97.06530	1.7
105.07015	19.9
107.04930	2.0
107.07957	0.8
107.08580	7.5
107.75758	0.8
109.06477	3.5
114.10641	1.2
115.05482	1.0
116.71906	0.8
117.07001	6.1
117.72304	0.8
119.08566	19.4
121.06494	3.8
121.10105	4.0
123.08049	4.4
125.09595	1.1
128.06259	1.2
129.06964	1.3
130.07816	0.9
130.43224	0.9
131.08563	14.4
133.10127	10.8
135.08026	14.4
135.11708	0.9
142.07703	1.1
143.08551	4.2
144.09293	1.0
145.06464	1.4
145.10126	11.5
147.08009	7.6
147.11652	4.2
149.09647	7.2
153.09044	1.4
156.09267	1.3
157.10143	3.4
159.08080	1.6
159.11639	5.4
161.09595	2.0
171.11572	1.5
173.09576	4.4
173.13242	6.7
175.11098	2.1
187.14748	4.3
197.13200	1.8
215.14359	4.0
233.15338	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	233.1536
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
50.79840	1.8
50.96467	1.7
53.00300	2.1
53.03947	3.2
55.01855	10.2
55.05494	13.1
57.03406	2.4
67.05499	16.5
69.03424	100.0
69.07060	3.6
71.04991	2.9
79.05492	29.9
81.07043	54.0
83.04974	2.7
91.05473	30.6
93.07025	33.6
95.04955	10.0
95.08590	14.1
97.06525	26.1
105.07030	29.2
107.04983	3.3
107.08588	33.9
109.06512	13.3
109.10158	2.8
116.06234	2.3
117.06995	8.5
119.08583	24.4
121.06482	13.8
121.10106	13.7
123.08026	10.1
125.09615	21.3
129.06996	2.2
131.08557	33.7
133.10086	3.5
135.07996	4.4
137.09615	3.4
142.07733	2.5
143.08519	4.3
144.09286	3.0
145.10144	9.5
147.11635	2.6
149.09599	81.3
151.07558	3.2
151.42210	2.1
152.76538	2.3
155.08542	2.6
156.09314	3.9
157.10118	4.2
159.08009	9.8
167.08577	2.7
171.11662	2.6
173.09575	2.9
173.13242	4.8
187.14795	3.5
197.13283	3.0
215.14320	4.8
233.15375	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.75410	3.1
51.32558	4.1
53.00317	3.1
53.03933	5.9
53.69386	3.1
55.01859	10.1
55.05495	24.6
55.50523	3.3
57.04565	3.6
58.14017	3.5
59.59779	3.0
61.57103	4.5
64.07875	3.5
66.23964	3.3
67.05493	37.5
67.77952	3.5
69.01260	3.4
69.03417	68.6
69.07043	9.1
69.30508	3.1
71.04974	22.6
79.05472	65.2
81.03396	7.0
81.07039	91.7
83.04968	16.3
85.02795	4.0
85.04728	3.8
91.05458	84.1
93.07022	90.1
95.04941	64.4
95.08585	53.8
97.06531	31.3
99.04440	7.8
105.07008	100.0
107.04960	7.2
107.08585	78.3
109.06496	48.2
109.10130	18.3
111.04413	4.8
111.08032	4.4
115.05444	5.7
117.06996	31.3
119.08559	78.4
121.06461	37.5
121.10130	32.8
123.08017	37.4
125.09582	6.0
127.93883	4.3
129.06969	17.6
131.08542	80.2
133.06471	6.2
133.10126	35.9
135.08041	27.3
135.11688	4.0
137.09576	7.2
141.07021	6.0
142.07811	42.0
143.08557	8.4
145.06503	5.7
145.10117	77.4
147.08063	17.1
147.11670	32.4
149.09575	61.0
149.13326	5.2
151.07558	4.6
155.08525	23.2
156.09373	5.3
157.10104	56.1
159.08025	23.9
159.11682	30.8
163.11166	4.1
169.10127	5.5
171.11707	9.0
173.09601	18.5
173.13182	29.3
175.11124	52.7
182.10938	15.3
187.11201	5.0
187.14792	17.6
189.12714	5.7
191.14285	5.1
197.13226	18.9
205.15987	5.6
215.14294	35.7
233.15359	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	232.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05507	13.3
61.60468	0.6
67.05483	9.2
69.03403	8.6
71.04977	90.4
76.48105	0.6
76.63773	0.7
79.04774	0.7
79.05479	20.3
79.46764	0.7
81.07037	25.7
83.04971	11.0
83.08603	24.9
85.06530	100.0
91.05461	23.9
91.52842	0.6
93.07025	30.6
95.04956	7.8
95.08556	1.4
99.04420	1.0
105.07019	25.1
107.08575	19.1
109.06504	14.8
109.10143	3.3
111.04433	24.3
117.07002	5.0
119.08560	86.6
121.06448	3.0
121.86958	0.7
123.11626	0.7
123.81153	0.7
127.07528	44.1
129.05365	0.7
131.08569	1.1
133.10115	25.7
135.08025	5.9
135.11697	4.4
136.20462	0.7
137.09601	7.0
146.07231	1.0
151.11171	4.4
161.09595	9.6
179.10649	21.5
226.64400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92994	0.5
53.03952	1.1
53.36066	0.6
55.05511	5.2
55.37197	0.5
57.07094	0.5
67.05497	3.0
69.07046	5.2
79.05476	35.7
79.51046	0.6
80.42945	0.6
81.07036	2.7
91.05459	12.9
92.63722	0.7
93.07030	97.1
95.04950	3.5
95.08582	0.7
97.06482	0.6
105.04488	0.7
105.07027	3.5
107.08582	69.3
109.06483	1.3
109.10143	1.2
112.76738	0.5
114.01192	0.5
119.08562	1.3
123.39813	0.6
135.11679	100.0
152.14336	2.9
170.15416	1.1
230.24783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2478
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
55.05530	0.6
56.96542	1.0
57.06784	0.8
57.07067	24.7
58.06579	3.5
62.06082	13.9
71.08612	11.4
85.10168	3.0
86.74567	0.6
93.07016	0.8
106.05318	0.6
142.70262	0.7
159.19817	0.7
212.23682	6.8
230.24757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1226
Annotation	Piscrocin E
Peak:m/z	Relative Intensity
53.00308	2.4
53.03945	7.8
54.20488	1.7
55.01865	3.8
55.05499	9.0
56.96550	4.6
57.03426	23.0
61.02913	12.1
67.05485	9.2
69.03417	74.8
69.07057	100.0
69.48740	1.7
71.01318	2.5
71.04963	12.1
73.02917	9.4
79.05473	4.2
79.89656	1.8
81.03395	21.4
81.07043	12.2
83.01282	1.8
83.04968	8.9
85.02894	69.0
85.06522	2.9
86.09688	15.0
87.04445	2.2
87.08086	47.0
88.52799	2.0
90.05516	3.2
91.03946	2.9
91.05464	9.2
93.07039	14.3
95.04939	15.4
95.08588	14.0
97.02873	28.1
97.06511	8.1
98.97584	7.5
99.04452	10.4
99.08073	7.6
103.03921	2.3
104.98984	2.0
105.07025	11.4
107.04951	2.1
107.08575	13.0
109.02866	8.0
109.06499	7.9
111.04438	3.6
111.08057	9.4
115.05489	1.9
116.98592	3.2
117.06985	3.5
119.08553	9.6
121.06470	2.1
121.10094	2.2
123.08022	2.3
125.05982	3.3
127.03912	26.6
128.06165	2.2
129.07016	2.7
131.08553	8.2
135.08029	2.9
141.05455	3.7
142.07747	2.9
143.08528	4.2
145.04932	14.9
147.08121	3.2
149.09561	3.8
153.09210	2.6
157.10057	3.6
158.99716	3.2
161.09534	2.3
165.09062	3.1
171.11681	2.2
185.13283	3.1
195.10123	3.3
213.12842	3.0
224.32207	1.8
231.12123	4.0
231.14072	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	230.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07383	0.4
50.54123	0.4
55.05508	12.6
59.04976	0.6
65.03921	4.0
67.05495	28.2
69.03419	6.6
69.07053	0.7
71.04971	0.5
72.06194	0.4
79.05460	0.7
81.07018	0.7
83.04967	29.1
91.05467	3.5
93.03391	3.2
93.07060	0.6
95.04951	36.5
97.02872	100.0
105.07019	2.2
107.08585	2.6
111.04434	0.8
113.05984	0.6
119.04930	2.1
121.02855	4.5
121.06481	0.6
121.10133	3.0
124.99152	0.5
131.08524	1.1
135.08038	1.1
139.03848	4.5
141.05353	0.5
143.00146	0.7
147.04428	4.5
149.09599	2.4
157.04956	5.5
159.07986	0.6
161.01169	0.9
177.09015	0.5
189.12669	1.1
195.10143	1.8
230.15547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.3
53.03937	0.6
53.05726	0.2
55.05504	2.1
55.09838	0.3
56.96552	1.7
59.04997	0.6
61.02914	0.4
63.27349	0.3
65.70704	0.3
67.05498	0.7
69.07049	1.7
79.05470	4.3
81.07027	0.9
82.91888	0.3
90.54237	0.3
91.05464	11.2
92.09364	0.6
93.07026	87.3
95.04955	3.3
95.08585	3.2
97.06519	0.5
97.99178	0.5
105.04520	0.6
105.07018	6.0
107.08579	100.0
109.06506	2.4
109.10145	0.7
119.06001	0.7
119.08553	4.2
120.09336	0.5
128.50446	0.3
129.55434	0.3
133.10138	0.4
135.11674	96.9
152.14308	4.5
229.23071	0.3
230.77827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.37946	0.2
54.52192	0.3
55.01849	0.4
58.06311	0.4
58.06588	8.0
59.07359	2.2
60.08148	8.8
60.66695	0.3
68.04998	0.8
70.06574	52.6
72.08137	0.6
75.38135	0.3
86.93600	0.3
96.08118	2.7
98.06004	0.7
113.21149	0.3
114.05510	6.0
114.09144	3.5
116.07069	1.9
124.07581	5.1
126.09128	0.6
142.08609	53.9
170.08080	1.8
229.15425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03944	1.5
55.05497	20.8
57.07062	3.2
65.03912	1.7
67.05492	22.5
69.03407	6.8
69.07056	21.7
71.04980	9.4
71.08662	1.6
79.05479	20.4
81.06598	2.6
81.07045	58.3
83.04989	10.8
83.08598	9.0
85.06525	26.8
91.05463	38.6
92.05789	7.8
93.07021	61.3
95.04946	11.2
95.08585	55.8
97.06528	2.6
99.08070	20.7
105.07018	35.3
107.08582	100.0
109.06488	2.2
109.10154	27.1
111.08046	8.6
116.85014	1.6
117.34113	1.6
119.08564	54.0
121.10120	29.2
123.08060	2.4
123.11680	18.7
125.09586	3.7
131.08574	2.8
133.10117	45.4
135.11661	58.1
137.09601	3.3
139.11145	1.6
147.11650	7.3
149.13272	3.4
151.07549	1.8
151.11176	6.5
153.12766	1.5
163.14790	89.1
175.14786	38.0
181.15863	10.2
193.15854	14.3
211.16934	32.5
229.17807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53016	0.7
53.16632	0.8
54.65107	0.9
55.05495	4.8
67.05495	11.2
69.07043	9.1
72.15733	1.2
74.06546	0.7
76.56448	0.9
79.05476	9.7
79.39890	0.8
81.07039	48.5
83.08599	1.3
87.33817	0.8
91.05457	8.6
92.09280	2.0
93.07028	12.1
95.08569	8.2
105.07016	16.9
107.08570	13.8
109.10149	7.9
117.06980	5.5
119.08557	10.2
120.12902	0.8
121.10114	9.0
123.11634	1.0
131.08559	13.7
133.10124	12.9
135.11649	4.3
140.01602	1.1
145.10107	13.8
147.11670	16.0
149.13228	11.6
159.11664	20.5
161.13197	6.8
163.14757	9.8
173.13249	13.9
186.13878	1.2
187.14789	6.4
199.14851	3.9
201.16266	1.5
210.58658	1.0
214.17018	1.4
229.19467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69266	0.3
54.82050	0.3
55.05503	11.8
56.96552	0.4
61.48052	0.3
65.03921	4.0
67.05491	26.3
69.03415	6.1
69.07043	0.5
79.05477	0.8
79.05973	0.3
81.07032	0.6
83.04963	30.9
91.05460	1.8
92.64378	0.4
93.03381	2.6
93.07037	0.7
95.04945	35.4
95.08571	0.6
97.02868	100.0
100.04781	0.4
104.77328	0.4
105.07010	2.0
107.08578	2.8
109.06501	0.6
111.04428	0.8
113.05994	0.6
119.08549	0.6
121.02838	5.4
121.06492	0.9
121.10116	2.1
131.08530	0.9
133.06442	0.6
135.08044	2.0
139.03857	4.0
141.05449	0.9
145.10150	0.6
147.04449	1.7
149.09628	1.0
157.04921	6.5
177.09045	0.7
195.10190	2.6
198.96645	0.4
217.86446	0.6
230.13504	0.6
230.15417	1.9
230.20287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03931	0.8
53.51065	0.3
54.77595	0.3
54.82117	0.3
55.01857	2.1
55.05500	5.5
56.38260	0.3
56.96546	0.6
57.07053	2.3
59.14276	0.3
67.05492	9.6
69.03388	0.4
69.07054	10.4
70.03292	0.3
71.04987	0.9
77.03905	0.4
79.05048	0.7
79.05476	11.0
81.07038	32.6
83.04954	2.5
83.08604	4.3
85.06519	2.6
91.05457	6.5
93.07022	100.0
95.04948	1.8
95.08585	24.7
97.06496	2.4
97.10143	2.1
105.07015	5.7
107.08576	70.6
109.06494	2.2
109.10135	10.8
110.65312	0.4
111.08054	4.6
117.07005	0.9
119.08555	2.3
120.65262	0.4
121.06482	3.1
121.10119	10.3
123.08034	0.8
123.11686	4.0
125.05988	0.5
125.09601	12.8
127.07553	0.6
131.08565	3.7
133.10126	2.8
133.37920	0.4
135.08026	58.1
135.11609	3.7
137.13249	3.7
139.07524	1.8
139.11182	1.7
145.10121	1.6
147.11682	3.1
149.09612	6.5
149.13237	18.1
151.11195	0.9
153.09085	61.6
163.14792	17.0
163.16199	0.5
167.10689	2.6
173.13193	4.1
181.15842	16.6
191.14304	7.9
209.15338	37.2
227.10335	0.4
235.92171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20089	3.3
55.01857	7.4
55.05503	10.8
56.96565	17.0
57.03432	29.9
59.05005	10.4
61.02924	24.4
67.05496	6.6
69.03417	100.0
69.07041	5.2
70.06587	7.2
71.01344	41.2
71.04979	9.9
73.01750	5.4
73.02897	40.8
75.04455	7.2
81.03414	10.6
83.01326	6.4
83.04976	8.7
85.02886	88.8
87.04464	52.1
95.04970	6.1
97.02873	85.7
98.01294	4.8
99.04452	19.5
101.02381	24.1
101.06049	7.8
110.17783	4.8
111.04445	25.3
115.03955	22.6
117.43437	4.3
125.02396	7.4
127.03952	8.4
129.01802	7.8
129.05466	34.9
133.04936	16.5
135.06393	7.1
147.05521	4.4
147.06519	36.8
153.07466	8.5
155.43886	4.8
157.04961	26.6
175.06035	18.2
193.07103	36.9
208.62100	5.4
228.23279	24.8
229.15547	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24883	1.5
53.03941	1.9
55.01868	2.1
55.05503	24.5
56.11101	2.0
56.96561	2.7
57.03418	9.1
57.07054	9.2
59.04978	3.2
66.83485	1.7
67.05492	10.9
67.44349	1.7
69.03414	8.3
69.07053	18.4
71.04976	17.6
72.93760	3.4
79.05473	12.6
81.03400	2.1
81.07030	20.4
83.04951	4.5
83.08599	4.1
85.06519	4.1
89.68908	1.9
91.05468	15.0
93.07029	18.8
95.04948	100.0
95.08601	9.7
97.02845	4.1
97.06514	28.8
97.55378	1.9
98.97546	3.8
99.04426	15.1
99.08056	7.7
100.11243	1.7
105.07024	22.2
107.04933	2.6
107.08572	18.2
109.06493	27.6
109.10144	7.7
111.08054	2.7
113.96365	3.7
115.05384	2.3
115.07541	24.4
119.08527	14.1
121.01601	2.9
121.06467	7.8
121.10123	22.4
123.04401	2.3
123.08076	3.4
125.09599	2.7
127.07500	3.0
131.08545	3.1
131.97388	7.8
133.10089	25.3
134.99614	3.2
135.08015	3.1
135.11595	4.8
136.07571	3.7
137.05992	2.7
145.10104	3.2
147.11655	7.6
149.09628	2.9
149.13289	2.2
151.11111	3.2
153.03021	2.2
153.09082	17.0
161.94984	1.8
163.07541	2.8
167.06973	3.8
173.13197	10.6
177.00710	2.3
181.02779	3.2
191.14291	8.6
194.04478	3.5
209.15302	8.3
216.04698	2.2
224.00026	2.3
227.07697	2.5
227.12485	60.3
227.16113	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.2
54.10539	1.4
55.01863	6.5
55.05505	17.0
56.71608	1.3
57.03167	2.6
57.03428	36.1
57.07054	1.9
67.05483	7.8
69.03415	100.0
69.07044	7.3
71.01331	3.0
71.04974	13.8
73.02901	3.2
79.05470	10.5
81.03397	22.6
81.07017	7.6
83.04965	6.8
85.02423	2.4
85.02892	46.8
85.06523	11.7
87.04462	2.5
89.17548	1.4
91.05462	14.2
92.09264	1.6
93.07015	10.5
95.04951	5.8
95.08591	3.7
97.02871	22.4
97.06514	6.1
98.97573	2.1
99.04419	7.7
105.07027	2.6
107.04946	2.9
107.08563	1.4
108.15948	1.4
109.02863	7.3
109.06518	6.6
111.04409	2.8
121.06491	6.7
123.07994	2.2
126.28440	1.8
127.03906	36.2
128.98567	1.6
129.05434	2.8
133.02745	1.6
135.91423	1.5
145.05011	2.6
147.08002	1.7
161.85950	1.8
229.10596	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Mansonone C
Peak:m/z	Relative Intensity
52.28295	1.8
53.03942	14.5
54.55701	1.7
55.01819	2.1
55.05500	4.6
57.26731	2.0
67.05473	5.0
69.03416	34.0
77.64778	2.6
79.05470	3.0
81.07046	6.3
83.04964	5.2
91.04947	2.3
91.05445	17.5
93.07034	14.4
95.08569	3.4
105.07014	22.4
109.02855	22.9
109.06487	4.6
117.07009	11.0
119.08572	19.2
121.06481	15.0
121.10108	3.9
129.07007	9.1
131.08548	32.8
133.06467	3.1
133.10106	19.7
142.07739	3.9
143.08543	28.2
144.09346	13.3
145.06470	4.3
145.10081	22.4
147.07964	3.3
153.06938	5.1
155.08551	9.8
155.15292	2.4
157.10149	4.5
158.07246	2.9
158.10890	30.6
159.07986	6.2
159.11700	19.8
168.09280	10.0
169.10043	4.6
170.10895	14.2
171.08067	20.8
172.08820	12.8
173.09567	55.6
173.13208	66.1
183.11671	11.5
185.09622	4.0
186.10370	43.1
187.11137	96.4
196.08755	11.1
201.12701	58.9
211.11136	6.0
214.09880	4.3
226.39465	2.7
229.12186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04636	1.3
55.05501	3.2
56.96551	2.4
57.03406	1.4
60.33290	1.4
67.05502	13.9
71.04978	51.2
79.05469	10.5
81.07041	76.8
87.04374	1.5
91.05437	5.7
93.07008	8.8
94.02357	1.6
95.08584	100.0
97.06482	3.8
98.97568	2.0
99.04427	3.7
99.08068	8.9
99.27141	1.5
105.07001	19.8
107.08575	2.1
119.08546	6.3
123.08047	47.8
133.10095	15.0
141.09085	51.4
147.11691	1.9
162.12225	1.5
165.83612	1.6
228.23138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03940	1.5
55.01876	2.6
55.05500	17.0
56.96550	3.2
57.03424	1.7
57.05255	1.2
57.07067	10.4
59.78784	1.6
67.05486	11.0
69.03410	3.4
69.07053	24.9
71.04949	5.2
71.08606	2.1
79.05473	17.2
81.07036	58.6
83.04974	6.0
83.08602	14.5
85.06515	2.1
91.05433	11.4
93.07020	100.0
95.04937	3.6
95.08581	45.3
97.06495	8.0
97.10156	15.6
99.04408	1.5
105.07019	10.3
107.08572	93.7
109.06501	5.6
109.10149	20.0
109.60316	1.5
111.08109	11.1
114.35806	1.4
119.08573	5.9
121.06474	7.5
121.10101	19.0
123.04417	1.3
123.08051	16.1
123.11684	1.8
125.09596	57.7
127.07517	2.5
129.06958	1.7
131.08545	10.0
133.10106	10.6
135.08029	50.8
135.11659	5.7
137.13243	11.5
143.90480	1.5
145.10112	2.4
147.11717	7.9
149.09587	9.6
149.13243	28.1
151.11192	3.6
153.09074	50.1
153.10205	2.7
158.73486	1.8
159.31813	1.5
163.11147	2.0
163.14780	10.7
167.07021	2.8
167.10620	2.7
173.13222	10.0
178.41530	1.8
181.15834	60.1
191.14256	17.1
209.15326	67.3
227.17764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05502	10.0
57.03423	10.8
57.07067	3.7
59.04996	5.1
64.33350	2.5
67.05481	10.2
67.30357	2.0
68.05329	2.1
69.03425	3.0
69.07056	14.4
71.04983	28.0
71.17465	2.1
74.66206	1.9
79.05473	14.6
81.07043	28.9
83.08623	5.2
85.06527	13.7
91.05457	16.5
93.07028	23.8
95.04949	100.0
95.05519	4.9
95.08607	19.3
97.06512	28.1
97.10080	3.0
99.04427	15.3
99.08089	28.0
105.07006	33.9
107.08575	36.1
109.06504	43.9
109.10144	10.2
111.08063	4.6
119.08574	23.1
121.10139	50.0
123.08023	4.7
123.11700	5.1
125.09596	5.8
127.07509	6.0
131.08527	22.4
133.10117	60.7
135.08058	10.2
135.11707	4.8
139.11122	5.2
141.64497	2.5
143.08682	2.5
145.10127	9.2
147.11682	23.6
149.13248	5.5
153.09091	21.0
158.10918	3.5
161.02888	4.3
168.99072	2.5
171.10193	12.5
173.13274	27.5
191.14278	18.6
195.03055	2.5
209.15421	15.2
216.94427	2.3
227.16423	33.2
246.07240	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.00299	0.8
55.05502	3.1
56.96548	0.8
57.07062	0.8
59.04969	0.7
67.05487	6.9
69.03417	7.9
69.07052	4.6
71.04974	31.9
77.91177	0.5
79.05459	3.5
81.07034	10.2
82.86098	0.5
83.04967	1.2
83.08608	2.5
85.06531	4.5
88.91724	0.6
89.72820	0.7
91.05457	3.1
93.07022	11.3
95.04939	2.6
95.08588	21.0
97.06524	4.9
99.04440	13.8
99.08068	7.3
105.07011	8.8
107.08585	8.9
109.06507	5.8
109.10158	5.3
111.08072	8.1
113.09606	1.0
119.08573	7.7
121.10142	4.6
123.08049	100.0
123.11680	3.1
124.23850	0.7
125.09560	0.8
127.11185	7.0
131.08549	6.0
133.10103	19.6
135.08023	10.1
139.11127	0.6
141.09088	7.9
143.08601	0.7
145.10133	1.2
149.09587	3.2
149.13248	5.5
150.31636	0.6
151.11163	24.6
153.09050	2.7
158.10843	0.7
173.13242	9.6
191.14287	13.8
209.15346	40.3
224.67909	0.5
227.16342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
54.81481	0.9
55.01870	2.6
55.05503	9.8
56.96562	1.0
57.03427	4.3
57.07069	5.4
58.21342	0.8
59.04993	7.6
60.13200	0.8
64.65363	0.8
67.05495	10.4
69.03415	1.9
69.07050	14.8
71.04972	16.3
75.04455	1.2
79.05463	10.7
81.07036	20.5
83.04981	4.6
83.08620	7.6
85.06520	6.0
91.05470	11.7
92.63823	1.2
93.00441	1.0
93.07024	28.9
95.00076	0.9
95.04945	100.0
95.08591	15.0
97.06508	33.2
97.66655	1.0
98.97623	1.6
99.04424	9.0
99.08089	9.6
105.07011	24.9
107.08589	28.1
109.06502	44.2
109.10132	10.6
111.08057	10.0
113.09635	1.2
115.07529	1.4
117.07002	5.2
119.08541	15.2
121.06505	1.6
121.10125	20.8
123.08069	9.0
123.11649	3.9
125.09609	2.3
127.07520	2.5
131.08516	7.8
133.10104	33.0
135.08052	5.2
135.11685	5.5
137.09637	1.2
139.11142	6.8
143.08540	1.6
145.10101	5.5
147.11652	19.2
149.09584	1.7
149.13231	7.3
151.07561	1.4
151.11201	4.2
153.09065	19.5
158.10909	1.8
163.11188	2.1
163.14815	4.5
165.12733	1.7
169.08575	6.8
171.10167	4.0
173.13199	8.5
191.14305	9.5
194.34761	1.0
209.15312	14.8
227.12827	1.7
227.16333	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01865	5.1
55.05496	8.6
57.03428	1.3
57.07060	1.2
59.04996	1.6
63.75972	0.8
65.03933	4.2
67.05486	7.8
69.03425	1.5
69.07046	13.2
71.04975	13.4
71.66968	0.9
73.02898	11.3
79.05470	10.9
81.03396	1.7
81.07036	17.5
83.04941	7.2
83.08601	2.3
85.02886	1.6
85.06529	4.2
90.34715	1.0
91.05457	14.9
93.07018	26.5
95.04945	100.0
95.08580	7.8
97.06518	28.6
99.04446	14.8
99.08065	2.3
103.05442	1.4
105.07012	18.7
107.04963	1.4
107.08595	11.2
109.06501	25.8
109.10140	4.5
110.03600	2.3
111.08048	5.0
113.06005	1.6
115.07551	23.9
116.72530	1.0
117.06993	6.9
119.08555	18.9
121.06508	5.9
121.10098	14.1
123.04425	2.2
123.07997	1.2
123.11693	2.2
125.05952	2.0
125.09586	2.0
130.07831	2.1
131.08556	6.3
133.10112	17.2
135.08054	2.0
135.11665	3.8
140.04657	22.0
143.08554	1.4
145.10104	17.1
147.04355	1.5
147.11678	4.5
149.13254	3.8
151.11208	4.3
153.05429	2.2
153.09062	11.6
155.07024	14.0
158.10835	1.2
162.21590	1.1
163.11150	7.9
167.14211	1.1
171.06459	3.9
173.09445	1.3
173.11980	1.1
173.13283	6.9
181.04921	41.8
181.08580	1.5
191.10632	2.5
191.14284	5.2
209.08095	6.1
209.11714	4.7
209.15350	4.7
227.09116	5.9
227.16403	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
54.81827	0.2
55.01865	2.3
55.05500	2.0
57.03425	0.3
57.07063	0.2
58.29232	0.2
67.05493	2.6
69.03413	1.2
69.07050	3.7
71.04961	0.5
79.05058	0.2
79.05479	4.8
81.07029	2.7
83.04950	0.9
85.06512	1.2
91.05465	1.9
93.07024	4.3
93.07569	0.3
95.04954	1.4
95.08583	3.4
95.22694	0.2
97.06510	100.0
98.97542	0.4
99.04438	0.3
99.08046	0.3
100.11221	0.4
105.07013	2.9
107.08575	6.6
109.06497	7.0
109.07187	0.4
109.10171	2.3
111.08085	1.6
113.05991	0.2
119.01905	0.2
119.08542	1.8
121.06493	1.3
121.10122	3.2
123.07970	1.6
123.11732	0.4
125.09542	0.2
131.08556	1.3
133.10098	2.6
135.08041	0.4
135.11688	0.8
137.09584	0.9
139.11148	0.3
145.10115	1.9
147.11720	0.9
149.05960	0.2
149.09560	1.5
149.13194	1.6
151.07549	0.3
151.11136	2.3
161.02971	0.3
161.13293	0.2
163.11139	1.2
163.14751	0.3
167.06992	0.3
167.10660	0.9
169.08548	2.4
169.12187	1.4
173.13269	1.1
191.14253	1.0
192.11580	0.2
209.15247	0.8
227.16376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01870	2.7
55.05496	10.3
56.96554	23.4
57.03423	7.5
57.07076	2.0
59.04985	2.4
65.03938	1.4
67.05482	9.3
68.99785	5.9
69.03408	2.6
69.07058	8.7
71.01326	2.4
71.04987	10.8
75.04463	1.9
79.05476	13.5
81.03394	1.9
81.07036	28.0
83.04974	7.8
83.08611	6.4
83.84166	1.2
85.06518	2.3
86.33194	1.1
91.05461	14.7
92.08725	1.5
93.07020	23.4
93.91357	1.2
95.04945	100.0
95.08553	8.3
97.02844	2.4
97.06512	23.3
99.04424	12.9
99.08080	9.0
100.11253	2.1
103.05443	2.0
105.06995	20.0
107.04914	2.1
107.08571	19.9
108.01535	7.7
109.06504	30.5
109.10136	5.7
110.03649	1.2
111.04446	5.5
111.08089	5.3
115.03901	1.4
115.07560	7.4
117.02021	2.0
117.07029	5.8
119.08537	11.4
121.06470	5.6
121.10110	23.9
123.04403	37.8
123.08061	2.9
124.04730	2.8
125.01750	2.0
125.06028	1.3
131.08508	12.9
133.10098	25.0
135.04402	1.6
135.08058	7.2
135.11639	4.9
137.09546	1.6
139.02811	1.9
139.03879	45.9
139.11156	1.9
140.04256	5.9
143.00133	1.9
143.08539	1.6
143.10643	1.3
145.06276	1.2
145.10133	7.1
147.11649	10.7
149.06003	4.7
149.09590	2.4
149.13239	2.0
150.03087	13.5
151.03877	38.6
151.11214	1.9
152.04272	2.8
153.09074	16.9
158.10966	1.7
159.97699	1.1
160.02769	1.8
160.99095	1.9
161.01248	2.1
163.03897	5.1
163.07513	1.7
163.11115	1.9
167.06970	15.4
169.01704	1.8
169.03299	2.3
171.10167	4.9
173.13219	10.3
174.02509	6.8
177.05370	1.8
179.00105	15.2
181.03008	1.4
183.03017	10.0
183.53255	1.7
184.00412	2.2
185.01132	1.5
191.10631	2.6
191.14258	11.8
192.03568	6.6
197.01181	44.8
198.01451	2.2
199.02690	1.2
209.01172	5.3
209.11707	5.4
209.15163	8.3
215.02277	12.1
227.02231	22.6
227.12473	1.8
227.16217	11.0
245.03354	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.36835	0.7
54.81640	0.8
55.01875	1.0
55.05505	19.2
57.03441	1.4
57.07064	4.0
59.04977	3.9
67.05483	10.4
68.99783	1.7
69.03415	51.1
69.07049	12.1
71.04980	4.1
79.05469	8.1
79.28226	0.7
81.07045	14.3
81.23920	0.9
83.04956	16.2
83.08600	10.7
85.06521	5.9
91.05463	9.3
93.07023	20.1
95.04953	6.9
95.08580	12.4
97.06510	3.8
97.10144	10.3
99.04387	0.9
99.08073	9.7
102.02402	0.9
105.07018	10.9
107.08577	37.1
109.06506	11.7
109.10123	9.4
111.04441	1.7
111.08066	16.6
113.05970	4.8
119.08546	2.2
121.06468	4.1
121.10116	23.0
123.08025	4.0
123.11699	2.0
125.05977	2.1
125.09603	100.0
131.08557	4.5
133.10144	6.4
135.08029	9.2
135.11684	3.6
137.09622	1.8
139.07515	14.5
139.11125	1.7
142.24936	0.9
145.10088	1.9
147.11702	4.9
149.09598	71.4
149.13211	7.1
151.11168	22.0
151.54779	0.8
153.09079	26.2
154.09921	8.5
158.11020	1.2
163.14758	8.6
167.10631	1.5
170.91580	1.1
173.13321	7.7
191.14268	18.0
209.15331	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.50086	1.1
55.01865	74.8
55.05498	9.1
57.03427	3.5
57.07059	8.4
66.62206	1.6
67.05493	26.3
67.46507	1.2
69.03416	13.3
69.07056	35.1
70.39788	1.2
71.04974	10.6
76.68578	1.3
77.34537	1.2
79.05476	22.9
81.07039	27.4
83.04951	6.1
83.08611	2.3
85.06526	30.5
87.38921	1.3
91.05453	16.0
93.06483	2.3
93.07026	41.8
95.04944	27.0
95.08582	43.4
97.06505	30.3
99.04452	12.6
105.07021	37.4
107.04943	3.1
107.07864	3.1
107.08577	79.9
109.06500	29.9
109.10099	3.3
111.08051	5.5
113.06007	5.7
113.98560	1.4
117.06997	3.1
119.08551	11.2
121.06490	13.9
121.10128	32.5
123.08041	26.5
123.11691	3.1
125.05999	2.5
125.09551	1.6
126.06119	1.6
127.07482	2.4
130.07750	1.7
131.08556	2.9
133.10097	6.5
135.08034	6.3
135.11652	10.9
139.11150	5.0
145.10132	21.7
147.11697	2.9
148.82993	1.6
149.09602	9.8
151.07516	17.2
151.11169	2.4
153.09100	3.3
162.28094	1.3
163.11130	34.2
167.07037	2.4
167.10629	11.0
169.08568	100.0
172.83986	1.4
173.09528	2.9
173.13242	1.7
181.12238	13.0
185.11752	1.9
191.10654	7.9
209.11656	7.6
209.15392	2.7
227.12885	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.56990	1.6
55.01856	4.1
55.05497	22.9
57.03430	11.5
57.07062	3.5
59.04993	3.1
63.37756	1.6
66.01318	1.9
67.05485	27.2
69.03418	26.2
69.07064	25.6
69.07640	1.8
71.04968	29.1
79.05476	42.9
81.03392	4.6
81.07037	45.0
83.04976	15.0
83.08596	12.0
85.06497	7.3
91.05457	22.5
93.07025	47.3
95.04948	100.0
95.08591	33.1
97.06538	19.5
97.10138	9.7
98.97553	6.7
99.04426	19.8
99.08067	7.6
104.45551	2.0
105.07012	27.0
107.08584	62.9
109.06521	20.9
109.10159	25.2
111.08092	13.8
115.07594	2.9
117.07011	4.6
119.08548	7.9
121.06495	9.7
121.10106	35.3
121.37934	2.1
123.08041	13.8
123.11693	10.0
125.09590	13.8
131.08557	7.7
133.10127	21.7
135.08034	16.8
135.11676	11.0
137.09608	4.7
143.08508	1.8
143.23961	2.1
145.10085	4.2
147.11659	12.4
149.09625	9.2
149.13258	8.1
151.11137	14.4
153.09059	15.3
158.10912	2.6
163.14781	7.8
165.12706	8.0
167.06989	2.7
171.10127	3.3
173.13290	14.3
177.00647	2.3
191.10655	2.5
191.14191	19.2
209.15326	18.6
227.16438	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03930	2.6
55.01860	2.8
55.05504	3.7
56.05022	0.7
56.96552	5.0
57.03410	0.8
57.07061	1.1
59.04965	0.5
64.33904	0.6
65.03959	0.6
67.05499	4.2
69.03411	0.8
69.07053	1.3
70.06573	11.6
72.93768	0.6
73.02892	3.3
78.04697	4.5
79.05471	3.6
81.03384	0.7
81.07007	0.8
83.04950	4.3
84.04488	14.1
85.02889	2.3
85.06532	0.8
89.03909	2.3
91.05457	13.0
92.08671	0.8
93.07031	7.4
94.04181	0.6
95.04939	8.5
96.09821	0.5
97.02859	1.3
97.06535	0.8
98.97546	9.1
100.11198	0.7
103.05450	10.2
105.03365	0.9
105.06996	2.3
106.02792	0.6
106.04173	1.2
107.04935	5.0
107.08588	0.8
109.06521	1.3
110.97549	1.1
111.04428	0.9
113.05997	2.4
116.07080	10.5
116.98602	6.8
117.03371	1.4
119.01814	1.1
119.04917	3.1
120.05661	0.6
121.06480	25.0
121.10168	0.7
122.03648	0.7
123.04408	10.7
124.05166	4.4
125.02382	0.7
128.02280	0.8
128.98566	2.7
131.03560	0.6
131.04916	7.7
133.02831	0.9
134.03601	4.4
134.06017	2.1
134.99657	2.3
135.04395	2.6
135.08084	0.5
137.05949	9.4
140.04671	3.3
145.02869	1.0
145.10081	1.2
146.99634	0.9
147.03265	0.7
147.04378	0.8
148.05167	2.3
149.04761	0.8
149.05954	17.2
151.03871	2.7
152.04675	2.5
152.07039	2.1
158.99626	1.0
159.04366	4.8
161.01231	0.8
163.03839	2.3
165.05450	0.7
166.06216	0.8
167.06996	100.0
176.04620	0.9
177.00728	2.3
177.04213	1.2
177.05464	16.6
177.09653	0.7
187.02760	0.9
191.07076	0.8
191.10701	1.3
201.04498	0.6
209.07866	5.1
209.11630	1.0
227.08818	0.8
227.10487	1.0
237.02859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01861	1.1
55.05505	23.0
56.96559	1.7
57.03404	0.5
57.07068	0.8
67.05482	1.1
69.07041	1.1
71.04973	1.1
78.36801	0.5
79.05457	2.9
81.07028	2.5
83.04967	2.7
83.08607	9.8
83.13067	0.5
89.03916	0.6
91.05461	2.9
93.07024	4.9
95.04955	4.3
95.08581	1.0
97.06500	0.9
99.04426	2.4
100.11234	100.0
105.07023	5.6
106.85688	0.5
107.04961	1.2
107.08566	2.6
109.06506	2.3
111.04378	0.5
111.08025	0.7
117.06973	0.9
119.08566	2.2
121.06472	0.8
121.10133	2.5
123.08031	0.5
124.99112	0.7
130.07782	0.7
131.08531	2.9
133.10060	0.7
135.04350	1.9
135.08046	1.1
139.08585	0.8
140.04663	1.2
145.10065	2.2
149.09575	2.0
163.03845	4.3
163.11168	2.7
173.09711	0.5
181.04950	2.2
188.82996	0.5
189.57722	0.5
191.10625	0.9
196.54451	0.5
209.11691	2.0
209.16476	13.5
227.12515	38.2
227.17465	20.6
249.02783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
55.01867	68.7
55.05499	6.6
57.03418	2.6
57.07059	8.7
67.05500	21.4
69.03413	9.9
69.07054	32.9
71.04981	11.1
79.05484	21.1
81.07041	21.3
83.04966	3.4
85.06528	27.8
87.38036	1.5
91.05461	12.0
92.09377	3.8
93.07024	39.8
95.04953	11.8
95.08012	2.1
95.08585	43.2
97.06513	26.1
98.47787	1.4
99.04415	10.0
105.07017	25.9
107.04936	2.6
107.08575	69.4
109.06496	17.4
111.08069	2.9
113.05960	8.9
114.37186	1.3
116.36134	1.4
117.06939	1.7
119.08574	7.6
121.06461	13.3
121.10130	21.0
123.08034	21.6
127.07518	1.8
133.06441	2.4
133.10139	2.0
135.11642	8.3
139.11150	1.8
145.10080	11.0
149.09596	7.1
151.07494	21.7
163.11154	32.0
167.10675	9.5
169.08563	100.0
173.09604	3.3
181.12225	13.5
191.10652	7.8
209.11673	3.4
218.30544	1.5
227.12810	8.6
227.16321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04196	2.1
54.66277	2.6
55.01863	2.9
55.05495	12.6
57.07070	32.3
57.65278	2.2
57.95053	2.3
59.04982	13.1
67.05490	17.2
69.03407	10.2
69.07048	29.6
71.04978	72.5
71.08608	14.1
79.05471	21.2
80.45741	2.1
81.06599	3.6
81.07038	70.5
83.04971	3.9
83.08582	16.9
85.06505	3.7
85.10168	3.9
91.05455	25.0
93.07022	100.0
95.04942	17.9
95.08582	64.0
97.06497	4.6
99.04431	5.3
101.95010	3.3
105.04517	2.4
105.07009	46.7
107.08582	67.6
107.70818	2.6
108.82860	2.8
109.06505	12.8
109.10147	38.7
111.08075	20.3
111.28510	2.3
119.01891	11.6
119.08562	31.8
120.60464	2.1
121.06521	3.6
121.10098	34.8
123.08033	3.8
123.11680	31.6
125.09608	13.2
131.08554	4.5
133.06447	2.7
133.10118	43.1
134.18159	2.7
135.08026	3.7
135.11685	4.1
137.02917	3.2
137.09592	10.0
137.13245	9.9
142.03529	4.0
143.08490	3.1
145.10152	3.4
147.11668	30.5
149.09645	4.5
149.12140	5.1
149.13239	68.6
149.14354	4.2
151.07466	2.9
151.11136	12.1
155.14384	3.3
161.13281	5.5
167.14273	40.0
179.04015	2.6
179.14270	14.7
183.62811	3.6
189.16330	29.7
207.13721	10.2
207.17403	25.2
210.80379	2.8
225.14795	11.0
225.18414	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	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52993	0.9
53.03936	1.5
55.01859	5.4
55.05501	10.0
55.05718	0.9
57.03423	2.3
57.07069	1.5
59.04990	2.6
62.12923	0.8
62.59172	0.8
62.96176	1.2
65.03925	6.6
67.05481	10.0
69.03410	2.4
69.07051	12.5
71.04971	12.8
73.02902	21.3
74.52403	0.9
79.05470	12.6
81.03388	1.6
81.07043	16.3
82.04189	1.5
83.04957	6.2
83.08623	1.8
85.02895	4.5
85.06534	1.4
91.05463	15.5
93.07021	26.0
95.04948	100.0
95.08594	7.0
97.06506	33.6
99.04433	21.5
99.08078	4.4
103.05503	1.8
105.07005	16.4
107.04963	1.7
107.08590	14.0
109.06497	25.7
109.10156	3.7
110.03642	1.8
111.08090	4.3
115.07545	29.3
117.07007	7.0
119.08559	15.4
121.06475	8.7
121.10130	17.3
123.04396	5.0
125.02370	1.5
125.05968	2.2
130.07765	2.4
131.08571	6.1
132.26277	1.0
133.10118	20.7
135.08057	4.5
135.11647	2.2
140.04665	34.5
142.02614	1.2
142.10301	1.2
145.10110	13.8
147.04424	1.5
147.11690	2.1
149.13274	2.1
151.11180	5.9
153.05493	2.5
153.09105	15.8
155.07019	23.8
158.10858	1.5
163.11169	5.6
163.14859	1.4
167.14232	1.3
171.06549	4.1
173.08145	1.4
173.09625	1.2
173.13225	4.5
179.07030	2.3
181.04927	65.8
191.10582	1.4
191.14325	2.3
209.08066	9.1
209.11609	2.1
209.15352	6.9
227.09088	12.0
227.16475	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	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
55.01862	4.1
55.05500	19.3
57.03410	3.2
57.06808	2.8
57.07066	38.8
59.04980	9.1
67.05493	41.7
69.03416	10.3
69.07058	25.9
71.04971	35.6
71.08613	10.4
79.05476	21.0
81.03402	3.7
81.07037	85.8
83.04954	11.2
83.08601	10.4
85.06516	12.4
85.10143	3.7
91.05053	1.6
91.05480	26.1
92.08643	1.8
93.07024	62.8
95.04945	20.1
95.08586	100.0
95.09199	3.2
97.06493	9.6
97.10151	3.3
99.04428	8.7
105.07011	43.5
107.08578	80.1
109.06508	12.4
109.10141	48.7
111.08079	7.0
117.07007	3.8
119.08551	53.4
121.10117	29.1
123.08015	8.5
123.11669	11.7
125.09588	7.5
128.06209	2.2
131.08513	8.6
133.10118	42.9
135.11618	2.3
137.09682	2.0
137.13278	3.6
138.44328	2.0
143.08562	4.0
147.08076	2.5
147.11668	33.4
149.09607	13.4
149.13239	43.6
151.07484	7.4
151.11128	4.7
161.09566	2.0
161.13234	11.1
165.09062	2.5
167.14275	12.6
179.14407	2.1
189.16347	43.6
207.13768	7.4
207.17435	11.0
225.14764	8.9
225.18362	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03938	0.6
55.05504	4.8
56.96557	0.8
57.03428	0.7
57.07065	6.3
58.05738	0.6
59.04981	0.7
67.05502	3.6
67.43528	0.6
67.76312	0.6
69.03416	1.3
69.07053	2.7
71.04978	52.3
71.08614	2.9
71.87000	0.7
76.46240	0.7
79.05478	4.9
81.03396	3.3
81.07042	8.9
83.04955	3.8
83.08601	4.3
85.02896	1.7
85.10153	1.2
91.05440	5.0
93.07028	3.7
95.04938	5.4
95.08589	7.6
97.06522	1.4
98.97566	3.7
99.04434	100.0
105.07014	9.0
107.08580	31.6
109.06518	17.0
109.10149	2.7
113.09632	3.6
116.98611	1.3
119.01842	1.3
119.08555	4.3
121.06490	1.2
121.10114	10.9
123.08058	19.1
123.11689	11.1
125.05950	0.7
125.09601	5.3
131.08534	1.4
133.06487	1.3
133.10066	1.3
137.09610	1.4
137.13232	1.0
139.11125	1.1
142.03374	0.8
147.11642	5.4
149.09604	9.8
161.02904	0.7
161.13177	1.0
165.12704	8.1
167.10631	16.5
169.60522	0.7
182.14862	0.6
183.13776	16.3
183.15317	1.1
189.12689	2.6
207.13786	3.2
225.11032	0.8
225.14763	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	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
51.48439	1.5
52.29444	1.5
53.00277	1.4
53.03922	1.7
55.05502	23.8
56.46018	1.5
57.07063	29.0
59.04973	9.5
59.05273	1.4
64.76720	1.9
67.05489	18.6
69.03415	100.0
69.07052	26.5
71.01334	11.7
71.04984	23.0
71.08599	4.2
79.05476	22.0
80.37748	1.7
81.03388	1.8
81.07039	57.3
81.77640	2.1
83.04939	8.3
83.08601	10.8
85.06540	14.8
85.10172	2.4
91.05466	26.6
93.07020	51.2
95.04952	15.4
95.08006	2.8
95.08585	53.5
97.06512	3.2
97.10095	2.4
99.04428	9.4
99.08058	14.8
101.95012	2.3
105.07001	26.7
107.08574	86.2
109.06470	9.3
109.10136	57.2
111.08047	6.7
117.06976	3.0
119.01860	3.1
119.08548	24.0
121.10108	37.8
123.04382	2.7
123.08049	15.4
123.11697	21.7
127.07504	7.5
133.10100	17.7
135.11662	60.2
137.09607	16.0
137.13231	9.9
147.11632	11.1
149.09613	4.4
149.13222	27.0
151.11119	14.1
153.12682	8.5
161.13252	2.4
163.14793	15.8
165.09073	2.4
165.12706	8.2
165.16365	49.4
167.32256	1.9
167.82156	2.0
179.10637	2.1
179.14273	2.4
189.16319	17.8
207.10037	3.4
207.17409	30.9
225.14760	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
55.05508	8.2
57.07064	15.0
58.56112	3.6
59.04977	9.1
60.22401	3.4
63.46753	5.0
67.05497	3.4
69.07048	19.6
71.04985	71.8
71.21042	3.6
79.05470	17.7
81.07049	69.1
85.06528	7.7
87.68189	3.3
91.05450	17.7
93.07028	100.0
95.08591	55.0
105.07011	48.6
107.08591	77.0
109.10120	32.3
111.08045	6.4
119.08574	43.2
121.10104	34.1
123.11667	20.7
125.09634	6.0
133.10106	57.4
137.13150	5.7
147.11678	56.0
148.91765	4.1
149.13248	60.8
151.11163	6.6
161.13290	8.6
163.14781	16.2
167.14337	24.7
189.16354	82.5
207.17461	32.6
225.18567	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	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
50.66892	2.0
55.05494	5.1
57.07070	4.8
59.04996	6.4
67.05483	6.2
69.07044	26.7
71.04606	3.9
71.04972	67.5
79.05463	6.6
79.77325	2.5
81.07040	48.4
83.08603	10.8
85.06522	3.8
91.05450	15.8
91.30046	2.5
93.07020	100.0
95.08583	50.8
101.17250	2.8
105.07000	33.4
107.08572	79.7
109.10153	31.9
109.18877	2.5
111.08066	29.4
119.08535	6.3
120.14560	3.1
121.10088	35.9
123.11681	47.2
125.09610	15.8
133.10098	42.0
135.11693	2.7
137.13213	11.2
147.11613	21.2
149.13239	89.6
151.11115	6.6
161.13264	3.2
167.14250	50.7
179.35196	2.9
189.16364	39.5
207.17371	27.3
225.18381	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.32558	0.3
53.43539	0.2
55.05500	1.6
57.07069	4.0
61.51706	0.3
67.05489	5.8
69.03413	0.9
69.07054	1.4
71.04958	0.7
71.08597	0.7
78.37478	0.3
79.05473	3.0
81.07043	24.7
83.04952	0.6
84.48854	0.3
85.02891	100.0
85.06530	0.5
91.05472	3.2
93.07021	3.8
95.04944	0.8
95.08590	6.5
97.06496	0.4
99.04379	0.4
105.07001	5.8
107.08586	4.1
109.06506	1.8
109.10149	10.8
111.04378	1.4
119.04916	0.6
119.08544	4.6
121.06471	1.4
121.10123	7.3
123.08074	1.9
123.11686	61.8
125.05962	5.5
131.08519	0.7
133.10114	1.4
137.05957	0.5
141.05437	0.7
143.08517	0.3
145.10110	1.6
147.08028	3.0
147.11687	3.3
149.09592	7.1
151.07516	2.1
155.54745	0.4
156.09351	1.4
160.08841	0.4
161.09610	1.6
161.13275	0.8
165.09067	0.4
165.12721	0.7
169.08562	0.5
174.10416	0.6
189.12766	3.3
207.13771	11.9
225.11218	0.6
225.14894	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03930	0.4
55.01866	0.4
55.05502	6.2
57.03421	0.3
57.07063	5.2
59.04981	0.6
65.03923	0.6
65.71060	0.3
67.05489	31.3
69.03411	2.1
69.07050	2.0
71.04961	1.4
79.05470	3.4
81.03387	0.4
81.07037	8.0
83.04965	2.5
83.08638	0.5
85.02888	8.8
85.06526	6.3
91.05460	5.3
93.07021	11.4
95.04944	3.4
95.08582	100.0
97.06520	1.7
99.04456	0.3
103.05505	0.3
105.07009	7.6
107.08579	8.7
108.05727	0.4
109.06492	3.5
109.10126	3.6
111.08074	0.5
113.05997	3.6
115.05357	0.3
116.26841	0.3
117.06990	0.7
119.07719	0.5
119.08558	13.9
121.06470	2.2
121.10111	6.2
123.08038	22.8
123.11671	8.2
125.05944	0.4
125.09518	0.3
129.06996	0.5
131.08546	2.1
133.10091	2.9
135.08047	1.2
135.11671	8.3
137.09616	1.6
137.13234	0.3
139.07465	0.6
141.09108	1.5
143.01787	0.4
147.08060	2.0
147.11629	4.1
149.09598	13.3
151.07515	1.2
151.14847	1.2
159.07982	0.7
161.02927	0.4
161.13232	4.0
163.11142	1.1
165.09105	0.6
165.12695	2.4
174.10410	1.2
176.72844	0.3
179.14285	0.5
189.12694	4.1
207.13754	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	Sundiversifolide
Peak:m/z	Relative Intensity
52.48874	1.2
53.03938	1.5
55.01865	2.7
55.05499	12.9
55.56684	1.3
57.07064	7.3
59.04992	12.3
60.04057	1.4
64.33632	1.2
67.05487	18.4
68.27056	1.3
69.03422	17.9
69.03792	1.7
69.07056	12.1
69.65670	1.4
71.04972	8.0
71.08634	1.9
79.05468	18.7
81.07037	20.4
83.04965	10.7
83.08611	3.3
85.02880	2.3
87.04433	3.0
87.33910	1.4
91.05463	24.5
93.07019	38.6
95.04945	45.5
95.08586	13.8
97.02889	2.1
97.06510	6.9
99.04417	7.6
105.07007	35.3
107.04939	8.4
107.08574	26.0
109.06506	19.5
109.10133	18.0
111.08061	3.4
117.07030	2.6
119.01960	1.7
119.08569	27.3
121.10127	10.2
123.08047	15.8
123.11694	3.0
125.09626	1.5
128.06175	3.6
129.07004	1.7
131.08516	3.3
133.06430	3.2
133.10117	14.2
137.06024	2.1
137.09587	14.2
139.11154	1.4
141.09132	1.6
143.08563	7.8
145.10121	3.1
147.08044	9.4
147.11667	7.4
149.09595	14.5
151.07454	1.4
151.11157	100.0
156.09335	6.6
159.11642	2.6
161.09581	21.4
161.13223	9.2
165.09123	9.0
171.11722	2.7
174.10329	1.8
189.12694	12.1
207.10121	2.1
207.13742	32.2
225.10959	2.1
225.14824	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03928	1.5
55.01863	1.6
55.05498	9.0
56.57805	0.7
56.96551	1.3
57.03423	1.5
57.07068	15.4
59.05002	1.3
61.42549	0.8
67.05501	11.4
69.03421	3.1
69.07057	11.9
71.04968	10.3
71.08611	6.9
79.05482	10.3
81.07039	100.0
83.04946	3.0
83.08616	1.9
85.02911	1.7
85.06519	3.5
91.05460	14.1
93.07025	37.5
95.04952	8.0
95.08586	40.4
97.06519	3.2
99.04420	6.5
105.07016	47.3
107.08582	56.2
109.06512	9.1
109.10150	14.6
111.08098	1.4
117.06987	1.1
119.01836	1.6
119.08562	33.0
121.06532	1.7
121.10127	26.1
123.08061	8.1
123.11691	10.5
129.06927	1.0
131.08536	3.2
133.10098	12.8
135.11670	8.6
137.09637	5.9
137.13237	47.5
145.10120	5.5
147.08018	1.0
147.11667	50.2
149.09595	8.0
149.13266	7.7
151.07509	1.6
151.11139	3.8
161.13258	12.9
163.11201	2.0
165.12723	46.4
167.10625	1.1
171.11649	1.3
179.14301	6.7
189.12717	3.3
189.16365	8.8
207.13785	58.5
207.17357	16.3
225.14767	4.0
225.18417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03927	2.1
55.01858	2.5
55.05503	12.9
56.96552	2.1
57.03436	2.4
57.07064	25.4
58.85398	1.0
59.04980	1.3
62.92734	1.0
65.03919	6.8
67.05488	9.0
69.03420	7.3
69.07050	8.5
71.04958	5.6
71.08605	14.0
77.03902	1.7
78.86488	1.0
79.05464	10.6
80.08712	1.1
81.07037	25.2
83.04961	11.9
83.08588	1.2
85.02887	47.3
85.10165	3.0
85.95567	1.4
87.04530	1.2
89.03898	2.7
91.05457	100.0
92.05779	1.4
93.07014	19.6
95.04952	14.6
95.08591	14.3
97.02854	5.1
97.06536	2.4
98.97556	2.6
99.04446	6.8
99.97082	5.2
103.05453	6.0
105.07005	17.6
107.04938	19.0
107.08598	14.0
108.35721	1.3
109.06480	10.5
109.10155	9.5
111.04436	1.8
111.08075	1.9
112.98901	1.2
115.03841	1.2
117.06939	1.6
117.98127	5.1
118.04111	9.1
119.01920	2.7
119.04918	83.9
119.08540	18.8
121.02841	2.5
121.06484	6.6
121.10101	13.7
123.04406	2.8
123.08025	9.8
123.11679	27.3
125.06012	5.1
128.06198	5.4
128.80228	1.3
129.06989	2.0
131.08554	2.4
132.02063	7.6
133.06496	1.5
133.10120	6.2
135.04366	2.1
135.07990	2.8
136.05167	2.5
137.02950	1.8
137.05974	5.7
137.09579	9.1
139.07536	1.5
143.08536	3.0
145.02823	1.6
145.10100	1.5
146.03593	3.0
147.03163	2.2
147.04381	62.2
147.08012	7.5
147.11668	2.3
149.02315	13.8
149.09634	9.7
151.07536	5.8
153.05438	1.6
153.12720	6.1
157.03935	6.2
159.11717	1.6
161.09593	10.4
161.13206	1.5
163.03871	1.4
163.11194	1.7
164.04671	10.5
165.09094	6.1
165.93840	1.5
174.03171	1.8
175.03867	76.3
177.01820	5.2
179.06950	9.7
179.10570	1.9
181.12158	1.4
189.09065	2.2
189.12729	3.0
192.04126	39.1
193.54083	2.2
195.13802	2.1
207.06491	85.6
207.10110	4.9
207.13834	8.7
225.11038	6.6
225.14989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.6
53.03926	1.4
55.01878	2.0
55.05507	11.8
56.96553	6.2
57.07070	55.0
58.55535	1.2
67.05499	3.3
69.03400	8.7
69.07029	5.8
71.04966	3.2
71.08617	31.8
79.05460	9.3
81.03426	2.2
81.07040	12.2
83.04957	9.4
83.08607	1.8
85.02884	3.2
85.10177	12.1
91.05454	7.4
93.07022	10.3
95.04942	6.0
95.08574	5.6
97.06515	1.8
98.97573	5.9
99.04417	2.7
105.07014	20.2
106.07352	3.0
107.04932	1.8
107.08568	7.8
109.06483	3.2
109.10124	1.6
111.04433	1.4
111.08053	2.1
116.98582	2.0
119.01896	26.5
119.08538	5.6
120.97836	1.9
121.10123	5.8
123.08028	5.8
125.06001	3.5
128.06181	2.7
131.08528	3.2
133.10095	6.6
135.07993	2.1
137.02927	11.6
139.48405	1.4
142.03479	8.7
143.08527	2.6
145.06496	1.8
149.09560	2.3
160.04549	3.0
160.11192	6.1
161.09512	2.0
161.11552	13.9
163.11153	6.5
178.12296	2.5
179.03935	9.5
179.12581	9.2
181.12267	1.8
189.09140	2.7
225.10951	100.0
225.12914	3.9
225.14674	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.55056	0.6
54.81509	0.6
55.01875	0.8
55.05514	8.8
56.96550	1.0
57.03427	3.5
57.07074	13.0
59.04984	1.2
62.55025	0.6
67.05503	11.4
69.03424	4.2
69.07062	13.1
71.04981	9.5
71.08621	4.0
79.05483	12.6
81.07045	100.0
83.04978	5.4
83.08617	0.9
83.99709	0.7
85.02896	1.2
85.06554	1.2
91.05473	15.9
93.07032	43.9
95.04943	7.9
95.08592	45.4
97.06525	3.8
99.04460	4.3
105.07021	49.4
107.08585	65.0
109.06496	11.5
109.07049	0.6
109.10149	14.4
111.08054	1.1
116.54591	0.7
117.07011	0.8
119.01923	1.7
119.08569	35.0
121.06477	1.7
121.10122	35.0
123.08047	11.1
123.11697	13.1
125.05949	0.7
131.08536	1.0
133.10103	12.7
135.11690	11.6
137.09616	5.1
137.13243	46.0
143.08595	0.9
144.74657	0.8
145.10121	5.4
147.11676	59.5
149.09619	6.5
149.13257	7.4
151.07513	2.9
151.11169	1.5
151.14861	0.7
159.11737	1.1
161.13237	12.0
163.11206	3.9
165.12727	62.3
171.11722	0.8
179.10732	0.8
179.14307	9.7
189.05386	0.7
189.12724	2.8
189.16383	7.5
195.72559	0.8
207.13788	76.9
207.17332	17.0
225.14888	1.2
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	Unknow
Peak:m/z	Relative Intensity
51.88623	0.2
52.59859	0.3
55.01864	0.5
55.05499	1.7
57.07063	5.0
67.05489	5.2
69.03404	1.5
69.07045	1.5
71.04970	0.6
71.08614	0.5
79.05473	3.5
81.07034	25.7
83.04971	0.6
85.02886	100.0
85.06514	0.3
91.05450	2.9
93.07018	4.9
95.04975	0.7
95.08581	6.0
99.04421	0.7
105.07011	4.9
107.04935	1.4
107.08571	5.0
109.06501	1.9
109.10146	9.7
111.04440	0.6
117.06979	0.3
119.01910	0.7
119.08550	5.3
121.06478	1.2
121.10114	7.6
123.04439	0.4
123.08060	2.0
123.11679	53.9
125.05958	6.0
125.09629	0.3
131.08566	2.1
133.06433	0.4
133.10161	0.3
135.08051	0.4
137.05965	0.4
139.07559	0.4
143.08531	0.6
145.06529	0.4
145.10115	1.9
147.08035	2.7
147.11641	3.2
149.09583	5.4
151.07530	1.6
156.09300	1.3
157.34552	0.4
161.09569	1.2
161.13170	0.6
165.12737	0.6
169.08630	0.5
171.11610	0.5
174.10428	0.5
180.04150	0.4
187.06734	0.3
189.12709	2.9
207.13756	11.1
225.07509	0.5
225.14766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
52.28655	0.5
53.03941	0.7
55.01853	0.5
55.05498	0.9
56.96566	7.7
57.07077	0.9
58.06595	4.5
59.04997	1.0
62.36929	0.6
62.78024	0.6
67.05479	0.7
68.05000	0.7
69.03415	1.2
69.07038	1.0
74.97590	0.6
79.05469	8.2
81.03404	0.5
81.07039	1.2
82.06556	0.8
85.02905	1.0
91.05457	11.6
92.08723	1.0
93.07020	3.3
95.04959	1.3
95.08571	0.8
97.06492	1.1
98.97564	6.5
103.05458	14.2
105.07015	45.4
107.04947	7.6
107.08576	2.7
109.06496	1.2
114.60217	0.6
115.05426	0.9
115.07561	0.8
116.98569	4.0
117.05766	0.9
117.07018	0.9
118.06525	17.9
119.01923	0.8
119.07284	2.6
120.08087	21.6
128.06204	8.0
130.06532	5.6
131.04897	2.7
131.07375	4.8
131.08521	4.0
132.08040	2.9
134.99617	1.1
136.07549	0.8
143.08530	5.2
145.06660	0.7
145.08897	1.0
152.10701	1.1
158.09599	1.1
160.11191	100.0
161.40631	0.6
167.02110	0.7
177.00713	1.2
178.12241	64.0
180.10167	1.1
206.11732	7.5
224.12784	26.8
225.11089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82424	0.2
59.19067	0.2
62.71729	0.2
64.33247	0.2
70.73660	0.2
79.51519	0.2
82.99820	1.2
89.17651	0.2
90.30814	0.2
92.09320	0.3
97.65924	0.2
98.97548	0.3
99.73415	0.2
101.00854	19.3
119.01891	100.0
120.02031	0.9
121.02340	0.4
124.02422	2.6
137.02928	33.2
142.03471	34.9
143.01958	0.3
143.03598	0.9
158.97174	0.4
160.04515	12.0
161.02911	9.4
165.05089	0.8
167.98997	0.3
177.00938	1.4
179.03970	22.4
179.49922	0.4
179.99867	0.3
184.04541	1.3
187.99239	0.5
199.49992	1.2
202.05605	1.5
223.41046	0.2
238.95557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77730	59.8
52.85241	73.1
65.81693	61.8
69.67542	68.0
75.10123	100.0
85.02863	72.2
85.61382	65.4
86.95525	75.3
113.95238	90.9
134.61618	73.6
136.61592	70.7
137.74907	80.5
157.01323	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03937	1.5
55.01857	2.0
55.05508	18.1
57.07068	8.3
61.14401	1.7
67.05496	14.3
69.03415	2.8
69.07061	42.8
71.53335	1.8
79.05477	32.6
81.07039	42.6
83.04975	4.9
83.08615	10.1
88.64186	1.8
91.05470	24.1
93.07027	100.0
95.04951	13.1
95.08591	34.5
97.06480	3.9
103.05432	6.7
105.07013	34.4
107.04935	58.1
107.08591	59.1
109.06506	13.6
109.10172	17.1
117.07024	9.3
119.08559	21.6
121.06492	80.1
121.07321	3.7
121.10137	44.7
123.08087	8.1
123.11668	3.2
131.08537	37.3
133.10109	11.4
135.08081	10.7
135.11671	22.1
145.10115	35.3
147.11665	19.9
149.09593	42.9
150.87253	1.9
159.11673	7.6
161.13277	14.9
163.11182	14.7
163.14844	11.0
177.16364	19.9
187.14786	24.5
205.15871	47.5
223.16902	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	223.1691
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.05503	25.2
57.07066	12.6
58.86074	5.2
67.05488	26.6
69.07057	63.0
71.04986	26.0
72.00041	5.6
79.05465	38.2
81.07040	93.2
85.02898	12.7
85.06506	11.2
91.05468	40.2
93.07026	84.7
95.04935	34.8
95.08600	69.7
96.08913	6.3
97.06526	10.6
97.10190	7.9
105.07015	72.2
107.04939	15.4
107.08591	78.1
109.06524	32.1
109.10143	34.8
111.08091	6.3
119.08575	37.4
120.08958	7.3
121.06466	12.3
121.10133	63.7
123.08041	49.6
123.11668	28.3
131.08510	44.9
133.10098	24.7
135.08047	9.0
135.11685	7.9
139.07545	13.0
139.31258	6.1
145.10101	37.2
147.11705	40.1
149.09642	93.7
149.13263	9.5
161.13219	8.5
163.11185	12.7
163.14850	7.3
165.12744	24.7
187.14830	14.5
191.14293	9.9
205.12160	7.0
205.15904	59.5
223.16887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
52.40772	0.8
55.01851	0.9
55.05505	10.7
57.07045	4.7
59.04977	3.9
67.05495	10.6
69.06678	1.5
69.07053	56.9
71.04974	19.3
79.05469	13.8
81.07037	66.1
83.04955	6.5
83.08613	7.2
85.06525	1.5
91.05443	7.9
92.08766	1.2
93.07023	34.0
95.04950	1.9
95.08584	52.2
97.06483	4.7
97.10137	1.2
105.07008	20.7
107.04926	9.4
107.08578	37.1
109.06498	7.7
109.10139	16.6
113.09614	1.2
119.08544	12.0
120.08897	1.0
121.06468	15.5
121.10126	36.1
123.08016	4.7
123.11665	3.9
125.09595	1.7
131.08536	9.3
133.10103	4.4
135.08049	4.5
135.11661	10.6
137.09633	1.5
137.13246	18.4
139.11185	1.4
145.10118	14.7
147.11670	30.7
149.09576	9.6
149.13268	2.2
153.09044	1.4
153.12695	4.3
159.11671	1.6
161.13171	2.2
163.11157	6.2
163.14783	1.9
165.12712	14.4
167.10651	1.8
177.16304	8.1
187.14726	8.1
205.15837	24.4
223.16890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
55.05499	5.6
57.07058	6.9
59.04993	2.3
67.05495	14.4
69.07051	25.2
71.04980	39.9
75.56360	1.1
79.05476	7.5
81.07039	31.1
82.32481	1.2
83.04964	1.8
83.08580	2.2
85.06510	1.3
89.28735	1.2
89.95454	1.3
91.05457	2.2
93.07022	19.4
95.04951	1.6
95.08583	50.1
97.06494	2.2
98.77233	1.1
98.97592	1.3
99.04449	5.4
105.06998	17.8
107.08581	25.6
109.06518	2.8
109.10142	34.4
109.20309	1.2
117.07051	1.4
119.08572	11.6
121.10088	13.1
122.10428	1.2
123.08072	10.0
123.11690	5.2
131.08546	1.5
133.10086	1.4
135.11671	2.7
137.13246	27.4
145.10132	7.3
147.11690	21.9
149.09598	1.7
153.12711	12.0
155.16725	1.2
163.11115	2.9
165.12718	100.0
177.16206	1.4
187.14795	1.9
205.15862	8.5
223.16878	35.0
223.19089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
55.05492	4.5
55.65322	0.8
57.07049	6.4
59.05001	7.7
67.05495	12.8
69.06720	1.2
69.07059	27.3
71.04977	35.4
74.65186	0.9
79.05466	6.7
81.07042	29.3
83.04958	1.4
83.08610	2.0
85.06498	1.9
87.13702	1.1
91.05449	4.3
92.08682	4.5
92.64143	1.0
93.07029	14.1
95.04932	1.2
95.08014	2.0
95.08585	41.1
97.06493	1.8
99.04436	3.9
99.90939	0.9
105.07014	15.1
107.08579	25.3
109.06461	4.0
109.10143	36.9
110.60347	1.1
119.08562	13.3
121.10133	10.0
123.08054	7.8
123.11679	2.3
135.08101	1.4
135.11688	3.8
137.13229	29.0
145.10080	4.4
147.11682	17.7
149.09532	1.0
153.12721	12.8
163.11153	1.8
165.12720	100.0
177.16379	1.3
187.14763	1.2
205.15863	8.3
223.16896	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
53.03918	4.0
54.81870	3.4
55.05501	17.1
57.03421	3.9
57.07064	3.7
66.31274	3.2
67.05479	33.7
68.48115	4.1
69.03406	8.7
69.07058	61.4
71.04979	60.4
74.99718	3.4
79.05470	27.5
81.07041	58.8
83.04932	8.8
83.08594	5.4
85.06541	6.1
91.05461	39.5
93.07021	85.9
95.04949	6.8
95.08581	52.1
97.06474	6.6
105.07030	53.8
107.04943	8.5
107.08575	96.3
109.06476	7.7
109.10143	42.4
111.08069	4.6
111.11743	6.1
117.06976	18.2
119.08567	26.3
121.06485	58.1
121.10114	50.4
123.08041	6.2
125.09635	7.1
127.17274	4.6
131.08504	32.7
133.10086	19.0
135.08015	8.6
135.11693	18.9
137.09593	95.3
145.10118	37.8
147.11655	29.0
149.05952	47.2
149.09589	18.4
149.13292	4.2
151.11177	5.9
159.11670	19.9
163.07454	15.6
163.11169	15.1
163.14781	18.3
165.12692	7.9
177.12726	4.9
177.16318	22.5
180.11421	4.9
187.14775	14.4
205.12233	55.5
205.15849	52.4
214.42769	3.7
223.16910	100.0
227.09036	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	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.01862	3.5
55.05497	26.7
57.03428	4.7
57.07056	19.7
58.07379	3.5
58.73041	2.6
59.04987	5.0
63.38334	2.7
66.34713	2.7
67.05479	22.0
69.03403	5.4
69.07057	50.8
70.07354	3.4
71.04962	23.3
72.30946	3.2
79.05473	33.3
81.06589	6.0
81.07034	94.9
82.07387	5.9
83.04916	3.7
83.08567	4.7
85.02843	4.0
85.06525	13.0
91.05469	37.8
92.64399	3.4
93.07024	98.8
94.07342	18.3
95.04935	14.7
95.08589	67.5
97.06499	15.6
97.10143	3.1
98.97555	15.3
105.07004	54.7
106.07372	6.7
107.04938	6.3
107.07876	5.1
107.08585	87.2
109.06499	91.5
109.10121	31.8
111.08053	4.7
116.98579	5.4
117.06968	7.6
119.08554	51.6
120.08904	3.5
121.06471	16.8
121.10123	100.0
122.10461	38.0
123.08019	6.7
123.10841	7.9
123.11690	25.2
125.09557	5.2
128.36406	3.9
131.08513	23.2
133.10085	13.1
135.08011	7.1
135.11659	21.6
137.09581	17.7
137.13210	5.2
139.11160	3.5
145.10104	37.3
147.11665	42.1
149.09573	36.0
149.13243	46.0
159.11578	5.0
161.13277	4.4
162.10271	3.8
163.11147	16.2
163.14841	4.3
165.12720	37.2
167.10544	3.3
177.12735	5.7
177.16360	14.3
181.12198	7.4
185.90292	3.9
187.14742	19.8
205.15862	35.6
223.13258	4.9
223.16899	63.1
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	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.01858	8.1
55.05508	13.8
57.03428	1.6
57.07063	7.7
59.04989	2.8
67.05499	31.8
68.15663	1.5
69.07060	33.4
71.04984	19.2
79.05474	33.7
80.13587	1.6
81.07039	54.4
83.04969	100.0
83.08610	8.2
85.06519	2.3
91.05455	24.6
93.07020	42.2
95.04938	12.4
95.08586	45.8
97.06507	81.2
98.97527	2.6
99.04436	14.6
99.39594	1.7
105.07015	43.8
107.04928	10.5
107.08579	62.6
109.06518	27.6
109.10143	37.5
111.08033	4.0
116.98571	3.6
117.06995	21.4
119.08557	26.8
121.06483	8.3
121.10122	40.9
123.08041	27.1
123.11715	14.2
129.06932	2.6
131.08548	36.2
133.10104	9.6
135.08011	20.4
135.11656	16.2
137.09618	3.1
145.10104	53.9
147.11639	23.5
148.08794	7.2
149.09618	35.2
153.85344	2.0
159.11674	12.5
161.13251	9.4
162.10393	9.6
163.11153	8.2
163.14760	17.8
165.12712	71.0
167.10619	2.9
177.12750	8.0
177.16344	24.0
186.90808	2.0
187.14807	27.2
205.15845	73.6
223.16920	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
54.81363	4.0
55.01887	4.8
55.05505	31.8
57.07062	8.7
59.04996	3.6
67.05493	31.0
69.03420	7.2
69.07063	71.6
71.04985	29.8
77.96057	3.7
79.05453	39.4
81.07047	100.0
83.04984	6.0
83.08618	15.8
85.06539	9.6
91.05476	27.4
93.07015	99.6
94.07350	5.9
95.04972	31.4
95.08585	65.9
97.06525	8.0
98.62142	4.9
98.97571	6.0
99.08086	9.3
105.07022	84.1
107.08586	95.4
109.06516	84.7
109.10165	49.0
111.08082	6.3
116.98602	5.4
119.08558	55.3
121.06538	5.9
121.10125	85.4
122.10404	5.9
123.08048	8.1
123.11711	25.4
131.08568	6.5
133.10118	55.7
135.11679	17.5
137.09663	14.4
137.13261	9.5
145.10123	43.6
147.11690	48.6
148.12111	4.5
149.09610	28.1
149.13220	4.5
151.11172	80.7
153.09052	6.0
158.10860	4.2
159.11668	4.9
159.43102	3.7
163.11156	20.1
163.14848	18.8
165.12727	32.9
177.16464	16.3
187.14799	22.2
205.15852	40.6
223.16882	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.05504	28.5
57.07061	12.0
59.04994	5.0
64.33335	2.2
67.05489	24.5
69.03399	6.9
69.07054	54.9
71.04975	49.3
79.05474	25.8
81.07038	91.9
83.04962	10.9
83.08591	5.7
85.06487	5.7
91.05470	23.4
93.07027	58.1
95.04933	20.3
95.08583	77.0
95.09164	3.0
97.06491	18.2
98.97588	4.0
99.04443	13.1
99.08096	12.3
100.12771	2.7
105.07003	52.3
106.79520	2.7
107.08579	86.2
108.08887	2.9
109.06506	50.6
109.10134	40.8
111.08077	5.0
116.98579	4.6
119.08550	43.7
121.06495	14.3
121.10118	62.4
122.10504	3.4
123.08009	16.7
123.10867	2.9
123.11687	22.4
123.12463	3.4
131.08545	13.2
133.10065	33.6
135.08055	4.1
135.11679	20.7
137.09589	15.1
137.13249	20.0
145.10121	26.2
147.11676	58.2
148.11980	3.1
149.09573	24.6
149.13278	4.5
150.09995	5.9
151.11195	37.4
153.12668	6.1
161.13231	10.6
162.13382	2.7
163.11131	12.0
163.14819	6.3
165.12738	42.5
167.10750	3.0
177.16333	7.0
187.14795	18.9
190.12924	4.3
205.15782	29.3
207.13623	4.7
208.14101	19.7
217.11224	3.1
223.16878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03920	2.3
55.01851	3.0
55.05508	16.5
56.96563	4.0
57.03419	3.2
57.07067	4.7
59.04992	2.0
65.03912	2.1
67.05497	22.6
68.39740	1.7
69.03418	4.7
69.07065	20.0
69.15901	1.9
71.04987	20.6
79.05477	25.6
81.07050	33.4
83.04971	9.7
83.08604	2.7
85.02876	3.1
85.06532	9.7
91.05468	28.4
93.07024	56.4
94.39534	1.8
95.04939	24.9
95.05872	2.4
95.08590	47.1
97.02887	20.2
97.06531	7.9
98.97578	3.2
99.04442	3.0
105.07027	35.0
107.07033	2.1
107.08588	60.0
109.06528	20.1
109.10139	22.6
111.08091	2.7
115.05441	3.2
116.98630	4.1
117.07017	14.1
119.08575	100.0
121.06526	9.2
121.10113	28.4
122.07261	2.2
123.04440	12.0
123.08057	16.0
125.05898	2.7
125.09550	2.4
125.23352	2.0
129.06956	4.1
131.08553	14.7
133.10104	14.3
135.08058	12.4
135.11670	34.7
137.09599	63.7
144.09328	11.7
145.10121	21.4
147.08043	3.9
147.11702	14.6
149.09650	4.9
149.13248	2.8
159.11681	47.2
161.09715	2.2
161.13283	3.1
163.07498	4.7
163.11188	14.3
165.09096	27.1
176.30406	1.8
177.12741	29.6
177.16316	2.5
187.14783	3.9
194.15747	2.0
194.89323	2.2
205.12262	21.3
205.15862	11.8
223.13280	15.1
223.16951	18.4
223.18790	3.1
241.42590	2.1
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
53.03940	3.2
55.01865	5.7
55.05497	17.8
56.96564	4.7
57.03429	5.0
65.03920	3.8
67.05487	28.2
69.03411	36.8
69.07042	14.3
71.04973	18.5
77.02515	2.9
79.05457	24.0
81.03416	3.3
81.07033	47.8
83.04958	13.8
83.08597	2.9
85.02901	5.8
87.04450	25.6
88.01368	3.3
91.05466	66.0
93.07028	54.4
95.04952	28.4
95.08591	29.1
97.06524	4.9
98.97569	6.7
99.04424	22.6
105.07016	61.2
107.04900	5.1
107.08570	41.5
109.06508	79.8
109.10113	22.3
110.07230	3.5
111.08076	5.1
116.98604	5.6
117.06997	18.6
119.06067	3.4
119.08552	41.0
121.06475	74.2
121.10126	22.6
122.07272	13.1
123.08027	7.7
126.26288	3.3
129.06937	7.2
131.08533	21.1
133.06557	3.7
133.10080	16.3
135.08040	14.3
135.11661	18.8
137.09604	100.0
139.07437	4.2
143.86859	3.3
144.09341	4.9
145.06480	5.7
145.10077	31.9
146.07259	3.2
147.08002	13.2
147.11661	15.6
149.05916	5.1
149.09584	14.6
157.10091	5.3
159.11679	20.7
161.09608	6.6
163.07481	5.2
163.11160	15.8
175.11098	12.1
177.12750	5.6
187.11104	7.7
187.14778	4.2
205.12210	12.8
205.15710	4.7
205.30710	3.4
223.13260	27.0
223.16771	4.5
226.87914	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	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
50.41883	0.3
55.01845	0.3
55.05493	1.4
57.06522	0.3
57.71284	0.3
62.40355	0.4
65.03922	0.4
67.05192	0.4
67.05499	8.3
69.07047	0.8
71.04974	4.1
74.01068	0.3
79.05463	2.2
81.07040	4.7
85.06512	1.4
91.05466	4.3
92.08707	0.8
93.07038	6.2
95.04970	4.8
95.08590	64.6
97.06482	0.5
99.96297	0.4
105.07014	13.5
107.08575	5.0
109.06525	3.7
115.05437	0.4
117.06999	7.0
119.08566	23.7
121.06491	1.3
121.10132	2.7
123.08012	0.4
129.06975	3.1
130.07767	2.3
131.08553	16.2
133.10085	2.3
135.08064	2.1
135.11684	4.2
143.08540	0.4
144.09326	8.4
145.10126	1.6
149.09624	0.6
149.13278	1.4
157.10094	2.7
159.11673	100.0
163.11195	2.6
173.26036	0.4
177.12718	64.7
186.42990	0.4
205.12219	1.6
223.13286	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52586	0.2
52.37951	0.2
53.03935	1.8
55.01871	2.5
55.02088	0.2
57.03433	7.8
59.04995	0.4
59.12247	0.2
59.65162	0.3
61.02917	13.9
69.03419	24.4
71.01337	0.4
71.04969	2.3
71.33875	0.3
73.02905	5.6
81.03410	8.3
83.01321	0.5
85.02894	100.0
87.04450	2.2
91.03935	3.9
95.44896	0.4
97.02873	20.6
99.04427	3.9
101.02372	1.2
103.03920	0.6
107.08585	0.3
109.02866	7.9
115.03893	0.8
127.03909	14.9
135.53754	0.3
145.04961	12.6
152.00706	0.3
163.06012	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.60324	1.0
51.73808	1.2
53.03945	1.7
55.01860	3.0
55.05508	12.9
59.49364	1.1
61.88015	1.1
67.05480	7.1
69.03425	15.4
69.07059	5.4
71.04968	5.6
79.05451	6.0
81.07027	11.5
85.06512	1.8
89.71706	1.2
91.05463	11.8
92.08628	1.5
93.07030	16.0
95.04920	2.5
95.08571	5.9
98.97546	1.7
105.07018	41.0
107.04923	2.1
107.08565	10.7
109.06526	11.6
109.10109	1.8
116.98615	1.4
117.06977	5.6
119.08559	16.9
121.06489	43.1
121.10124	5.6
123.08043	9.1
128.06223	3.2
129.06995	1.8
131.04938	2.3
131.08580	11.6
133.06425	1.8
133.10103	34.5
135.04352	1.3
135.08029	27.9
135.11630	3.1
137.05963	3.3
137.09569	1.8
143.08572	8.5
144.09354	3.1
145.06450	2.2
145.10159	9.5
146.07257	22.5
147.11638	1.6
149.05928	1.6
149.09659	2.3
158.07234	1.5
159.08089	1.8
159.11642	16.8
160.90208	1.6
161.08237	3.5
161.09590	100.0
163.07526	9.2
163.11148	2.8
167.10616	1.5
172.08788	6.5
177.12691	10.3
179.10634	33.3
181.92514	1.4
187.11174	11.4
205.12273	13.7
223.13255	54.8
223.16747	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	222.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.05499	16.0
55.18622	1.3
56.05832	3.5
56.96545	3.5
57.07056	1.8
58.82475	1.2
59.04986	2.2
61.36448	1.3
62.71253	1.2
65.55637	1.2
67.05491	24.3
68.05817	10.7
69.07050	23.3
70.03754	1.5
70.07376	10.0
71.04965	8.9
73.83856	1.4
79.05467	13.5
80.05805	7.1
81.06601	2.7
81.07040	50.7
82.07370	26.1
83.08588	6.2
84.08900	2.1
91.05464	16.5
92.05786	9.8
93.07022	33.3
94.07357	22.8
95.08005	2.8
95.08581	62.9
96.08913	39.7
97.06500	1.7
97.10146	1.9
98.97561	48.8
105.06361	2.6
105.07018	49.8
106.07344	39.7
107.08575	40.0
108.08904	33.3
109.10148	36.1
110.10480	30.4
111.11709	2.4
112.08392	2.1
112.12049	1.5
116.97823	2.5
116.98602	50.2
119.08557	76.2
120.08886	85.7
121.10145	19.3
122.10446	22.3
123.11677	14.3
124.12021	7.6
133.10106	27.2
134.10446	32.7
134.99626	18.9
135.11679	3.0
136.11996	7.2
138.13510	1.5
146.10454	1.7
147.11668	29.4
148.12012	49.1
150.13594	3.2
153.00722	2.7
158.01207	12.5
161.13210	12.9
162.13547	26.4
162.21072	1.5
163.14836	2.6
164.15147	10.7
172.09331	1.5
175.14772	5.9
176.15143	31.9
194.26350	1.6
203.17944	15.9
204.18257	100.0
221.18854	2.7
222.15816	1.7
222.19337	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03233	2.3
54.81650	3.4
55.05503	43.1
56.05833	11.3
57.03421	3.6
57.07066	6.6
57.34803	2.5
58.07396	3.6
59.04974	2.4
64.33324	2.5
67.05487	28.1
67.78318	2.8
68.05814	13.3
69.07056	50.8
70.07394	17.8
71.04967	13.7
79.05486	22.3
80.05812	11.6
81.07040	100.0
82.07368	41.5
83.08625	6.8
84.08949	2.9
85.06508	6.7
91.05466	15.9
92.05798	6.6
93.07030	46.4
94.07344	33.5
95.04936	4.1
95.08585	77.1
96.05292	4.3
96.08925	47.2
105.07022	53.7
106.07321	35.4
107.08568	43.3
108.08905	34.4
109.06502	5.3
109.10152	28.1
110.10490	22.8
116.26730	2.6
119.08564	30.4
120.08877	40.8
121.10139	25.6
122.10437	23.2
123.08043	4.9
123.11691	29.7
123.92565	3.0
124.08344	4.2
124.11990	20.7
133.10092	25.1
134.10439	28.0
135.11647	11.8
136.08365	2.9
136.12013	12.5
137.09616	11.7
137.13260	5.7
138.09917	6.2
138.13521	9.5
147.11685	24.4
148.12010	38.5
149.13266	3.5
150.13513	5.7
151.11142	3.5
161.13246	6.6
162.13600	19.8
163.14848	5.8
164.15150	12.1
165.12766	3.3
166.13036	4.6
176.15141	3.4
178.16714	5.6
203.17972	4.4
204.18269	48.3
221.18967	12.2
222.15584	2.9
222.19301	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05500	3.2
55.72496	0.6
57.03426	2.9
57.07066	2.8
59.04992	1.2
60.04506	0.8
61.02919	1.3
64.47347	0.7
67.05492	29.8
69.03419	4.5
69.07037	2.6
71.04965	1.2
79.05468	13.6
80.16798	0.6
81.03392	1.5
81.07037	52.7
83.04980	5.3
85.02876	4.8
85.06530	1.0
88.41789	0.6
90.44671	0.7
91.05459	29.7
93.07019	26.2
95.04957	10.4
95.08583	8.9
97.02872	1.1
97.06504	0.6
98.43243	0.7
98.97575	1.1
105.07009	20.6
107.08575	100.0
109.06505	8.7
109.10139	39.9
116.98671	1.3
121.10140	5.4
123.08046	4.1
123.11680	56.1
133.10101	56.1
139.11169	3.3
145.04953	0.9
146.12138	0.7
148.10208	0.7
151.11159	77.5
169.12199	64.6
187.13277	14.5
189.07523	0.7
204.16098	1.1
217.70363	0.9
222.17001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94304	1.6
53.03940	1.8
53.20097	1.7
55.05499	11.6
56.05838	2.7
56.96556	7.2
57.07045	3.5
67.05494	34.1
68.05814	10.0
69.07050	24.3
70.07390	10.2
79.05468	25.4
80.05815	10.7
81.07034	61.2
81.71987	1.6
82.07370	28.4
83.08595	4.3
85.06532	3.2
89.98515	2.0
91.05465	24.3
92.05788	13.2
93.07023	100.0
94.07355	63.4
95.04965	3.2
95.08015	2.6
95.08585	56.6
96.08910	33.9
98.97561	94.3
105.07020	34.9
106.07333	25.7
107.08578	67.9
108.08911	52.3
109.10147	45.6
110.10479	27.1
116.98597	70.6
119.08555	27.7
120.08871	20.1
121.10102	35.2
122.10486	28.6
123.08073	2.0
123.11691	7.6
124.12012	4.2
133.10107	17.8
134.10452	23.8
134.99631	36.3
135.11656	2.3
136.11977	8.5
140.00243	2.1
147.11682	30.8
148.12022	36.2
149.13235	66.4
150.13573	90.8
153.00687	3.9
158.01218	18.3
161.13263	7.7
162.13564	12.3
170.28673	2.1
175.14700	2.1
176.02289	3.3
176.15146	8.8
190.41986	1.8
203.17944	10.0
204.18254	75.7
213.31813	1.9
221.18933	4.1
222.19304	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	222.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03102	11.4
54.81513	11.7
61.42529	11.2
64.53348	10.3
65.50140	10.7
69.03419	15.2
74.06079	68.5
85.02885	100.0
92.07117	50.6
92.08846	22.2
95.01325	55.7
97.02876	94.9
105.06287	11.7
113.02372	55.2
123.00797	71.7
141.01825	74.9
143.03424	57.4
158.08119	18.2
169.01366	76.7
187.02376	27.5
222.06091	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82471	0.8
55.05503	3.6
58.69075	0.8
58.89088	0.8
60.04810	0.7
65.20931	0.8
67.05484	6.0
69.07061	7.2
71.04986	16.0
76.63047	0.8
76.79630	0.7
79.05477	7.7
81.07036	8.2
83.04972	2.2
91.05460	5.0
93.07033	16.4
94.07316	1.1
95.04971	1.7
95.08600	11.4
96.08920	1.0
97.06499	5.8
98.97560	8.9
105.07034	10.1
107.04948	3.8
107.08569	9.9
109.06506	11.2
109.10133	12.7
116.98580	6.5
117.06940	1.1
119.08573	14.2
121.06492	33.6
121.10116	26.6
122.07286	6.3
123.08054	6.1
123.11701	1.2
124.08858	1.2
131.08556	7.6
133.10135	1.9
134.10980	1.0
134.99617	1.0
135.11641	1.3
136.08763	7.6
137.09596	32.2
137.13295	1.5
143.08566	1.6
145.10144	1.8
147.08047	1.6
147.11668	16.0
149.09602	47.7
151.07526	1.8
151.11163	4.4
155.35614	0.9
161.09576	5.1
161.13242	10.8
162.13536	1.2
163.11096	1.1
164.11946	4.7
165.12735	9.7
171.11621	2.1
176.11919	1.3
179.10690	8.4
179.14299	7.8
189.12700	17.6
194.13074	6.6
204.18282	1.3
207.13779	100.0
222.16107	13.4
223.16742	1.1
232.49945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13407	0.2
62.35809	0.3
65.31998	0.2
81.71545	0.3
96.59077	0.3
98.97558	1.2
101.00852	0.6
101.08716	0.3
108.41261	0.3
116.98598	0.4
119.01908	4.5
120.02028	0.3
120.95347	0.5
137.02930	0.5
138.96361	5.0
140.85153	0.3
156.97453	92.1
157.97549	0.5
174.98502	100.0
175.98611	0.6
176.98862	0.6
179.99025	2.2
180.97339	0.4
198.00113	1.9
198.98503	10.8
199.00085	0.4
210.89796	0.3
216.99554	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00292	1.2
53.03926	1.8
55.05502	18.2
57.07056	6.5
58.19571	1.0
59.04979	1.8
59.27788	1.0
67.05490	25.4
69.03405	2.1
69.07050	23.0
71.04977	14.4
79.05476	25.4
81.07039	100.0
83.04971	1.8
83.08592	4.7
85.06521	4.6
91.05458	25.7
92.22926	1.1
92.49410	1.2
93.07022	70.1
93.94617	1.2
95.04948	2.9
95.08588	65.3
97.06513	5.4
97.10130	5.7
98.97567	6.1
99.08055	7.2
103.05444	1.5
105.07014	76.8
107.08575	52.5
109.06522	2.6
109.10140	41.4
111.08072	5.2
116.98637	2.4
117.07001	7.6
119.08561	68.2
121.10118	34.1
123.08029	1.6
123.11679	47.6
127.11176	1.8
128.06241	1.4
131.08513	6.2
133.10109	37.0
135.08063	1.9
135.11659	30.9
137.09579	4.4
137.13239	4.3
139.11110	2.1
143.08531	2.5
145.10110	6.9
147.11668	69.5
149.13232	7.2
151.11160	6.8
159.11630	1.8
160.12468	1.2
161.09602	2.1
161.13252	19.9
162.06795	2.9
163.11130	5.5
163.14799	10.9
165.12740	2.2
166.18298	1.2
175.07527	1.5
175.14780	6.3
177.09073	63.3
177.16325	2.6
203.14268	1.2
203.17937	57.6
221.15553	3.4
221.18976	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	0.1
55.01852	0.1
55.05506	0.9
56.96571	0.1
57.07062	0.1
59.04975	0.1
64.81232	0.1
67.05491	1.2
69.03404	0.1
69.07056	1.0
71.04971	0.1
79.05477	1.1
81.06592	0.1
81.07033	2.6
83.04944	0.1
83.08611	0.3
85.02865	0.1
85.06533	0.2
90.87086	0.1
91.05460	2.5
93.07021	2.2
95.04951	0.3
95.08585	2.7
97.06475	0.1
97.10143	0.1
98.97543	0.8
102.04661	0.1
103.05444	0.1
104.06232	0.1
105.07014	4.8
107.08575	2.5
109.06501	0.4
109.10143	1.6
111.08078	0.3
115.05424	1.6
116.06209	0.8
116.97432	0.1
116.98588	0.4
117.06997	6.2
118.07376	0.1
119.04908	0.5
119.07713	0.1
119.08559	3.5
120.05761	0.1
121.06468	0.4
121.10130	1.0
123.08029	0.2
123.11665	0.7
128.06201	1.5
129.06953	0.4
131.08551	0.4
133.06474	0.9
133.10097	1.9
134.07265	1.1
134.99654	0.1
135.08026	1.1
135.11679	0.4
137.09579	0.3
141.06889	0.1
142.07803	0.1
143.08534	1.5
144.05672	0.6
145.06482	1.1
145.10129	0.6
147.04364	0.2
147.07996	0.5
147.11667	5.1
149.09612	0.6
149.13254	0.4
151.11200	0.2
155.06052	0.1
159.08032	0.1
159.11664	0.1
160.05177	0.6
161.05981	0.6
161.09639	0.2
161.13289	1.0
162.06729	7.4
162.93184	0.1
163.11142	0.3
163.14790	0.4
165.12785	0.1
169.49657	0.1
171.08012	0.5
175.07506	2.9
175.11163	0.2
175.14760	0.4
177.09077	100.0
178.09424	1.2
188.08319	0.1
203.10692	0.5
203.14325	0.3
203.17932	3.5
221.11682	0.5
221.15346	0.5
221.18971	1.7
227.41164	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03921	3.3
54.03750	1.4
55.01873	2.0
55.05312	1.4
55.05510	25.3
56.28388	1.4
56.96564	2.2
57.07068	11.9
59.11725	1.3
67.05188	2.2
67.05499	33.2
69.03421	2.8
69.07059	27.8
71.04977	9.0
73.71548	1.4
76.56563	1.7
77.28595	1.9
79.05480	23.3
81.07044	77.9
83.08609	14.0
85.02897	3.4
85.06523	3.5
91.05461	30.7
93.07019	61.3
95.04942	7.2
95.08591	59.2
97.06497	2.8
97.65097	1.5
98.97562	10.3
105.07023	87.5
107.07870	3.9
107.08586	76.8
109.06499	8.9
109.10146	100.0
111.08089	2.3
113.09605	2.8
115.05453	2.2
116.98593	10.0
117.06991	3.4
119.08568	75.3
121.06471	1.7
121.10130	53.7
123.08068	7.0
123.11668	34.5
131.08546	3.6
133.10112	40.0
135.11639	17.7
145.10092	9.2
147.11676	60.5
149.13249	51.7
151.11156	7.9
157.10135	2.5
159.11684	2.2
161.09634	3.3
161.13226	43.7
163.14832	8.0
165.12743	7.3
175.11250	2.7
175.14780	6.5
177.09105	4.0
177.16348	2.0
185.13231	2.0
203.10489	1.9
203.14261	2.0
203.17931	61.7
221.07439	2.0
221.15364	9.0
221.18987	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.44386	0.7
53.03928	1.0
54.81664	0.6
55.05502	8.9
56.96555	1.1
57.07056	4.9
59.04977	0.7
67.05491	16.7
68.63371	0.7
69.03411	1.3
69.07059	10.0
71.04964	1.2
76.56091	0.9
79.05471	8.8
81.07038	55.5
82.52425	0.8
83.08586	1.7
89.20051	0.8
91.05450	10.3
93.07021	14.7
95.04982	1.2
95.08585	32.5
98.97552	4.6
99.08067	3.2
105.07011	33.1
107.08574	17.4
109.06493	1.5
109.10139	19.8
112.55726	0.7
114.41042	0.8
116.98565	0.9
117.06992	1.7
119.08562	24.5
121.10123	18.6
123.08025	2.0
123.11687	100.0
128.06223	0.9
131.08534	1.6
133.10118	15.2
135.11661	3.5
136.14886	0.9
143.08600	0.9
145.10083	3.2
147.11661	31.1
149.13243	3.7
151.11162	3.8
161.13242	8.1
163.14777	3.7
165.12802	1.0
175.11092	1.0
177.09094	2.0
177.69693	1.0
203.17949	32.8
221.15543	2.2
221.18948	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05498	11.0
57.07064	6.5
60.86034	1.2
65.15944	1.1
67.05164	1.7
67.05489	16.8
69.07052	25.8
71.04967	9.7
75.78817	1.0
79.05482	24.7
81.07037	39.5
83.04972	1.6
83.08605	6.4
85.06526	2.1
91.05464	17.3
93.07025	46.1
94.96212	1.2
95.04967	2.1
95.08589	44.8
97.06490	3.0
98.97577	7.7
99.04439	9.3
102.54389	1.5
105.07018	64.1
107.08578	100.0
109.06520	5.3
109.10142	29.4
111.08096	2.2
114.37757	1.3
116.98595	2.5
117.06998	1.8
119.08566	45.4
121.10126	30.2
123.08077	2.0
123.11690	8.5
133.10104	25.5
135.11658	31.2
137.09592	1.8
139.09456	1.2
143.08525	1.8
145.10141	5.7
147.11671	45.8
149.13219	9.1
151.11197	1.9
161.13225	17.7
163.11176	11.0
163.14795	22.3
165.12729	1.9
175.14804	3.1
177.16391	3.2
200.55089	1.2
203.14374	1.8
203.17915	50.9
204.94774	1.3
221.15405	6.5
221.18979	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.34452	0.9
53.03937	1.9
54.81494	1.1
55.01854	1.5
55.05504	23.2
57.07067	7.3
65.03906	0.9
67.05492	39.8
69.03401	1.4
69.07053	25.9
71.04972	5.6
74.44681	1.1
79.05475	17.2
81.07036	50.1
83.04974	1.9
83.08607	8.9
85.06566	3.6
91.05457	20.8
93.07018	49.2
93.15916	1.0
95.04964	7.4
95.08580	46.5
97.06511	4.7
105.07012	71.3
107.04921	2.6
107.08577	61.7
107.09298	2.4
109.06509	7.0
109.10141	100.0
111.08080	2.1
113.09628	1.4
117.07005	4.7
119.08556	49.0
119.41916	1.0
121.06479	7.2
121.10117	35.2
123.08024	8.3
123.11678	33.1
123.12543	1.6
125.09608	1.8
128.06139	1.6
129.06953	4.1
130.07782	1.4
131.08510	4.3
133.10101	27.7
135.08076	2.0
135.11664	13.8
137.09601	1.9
137.13206	1.5
143.08545	4.2
145.10089	15.9
147.08008	1.2
147.11667	39.2
149.13237	59.3
151.11130	12.0
157.10144	1.1
159.11668	4.2
160.12411	1.8
161.09589	1.8
161.13213	22.6
163.11168	11.9
163.14833	4.6
165.12703	1.8
171.50488	1.2
175.14799	5.8
177.09157	1.5
179.14304	2.6
185.05942	1.9
189.73158	1.1
203.14304	6.5
203.17914	52.7
216.81432	1.0
221.11650	2.0
221.15408	13.8
221.18925	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	0.8
55.01860	0.8
55.05266	0.8
55.05504	13.0
57.03427	1.0
57.07071	11.5
59.04986	1.0
64.32981	0.7
65.03893	0.5
67.05492	22.9
69.03417	1.1
69.07059	17.7
71.04984	1.3
79.05045	1.0
79.05471	15.5
81.07043	38.2
83.04983	4.3
83.08619	6.0
85.06541	5.8
91.05461	20.7
93.07027	37.4
95.04939	3.7
95.08585	40.5
97.06517	1.2
97.10158	2.3
98.97568	2.4
102.51136	0.6
105.07018	85.7
107.08580	42.4
107.41452	0.6
109.06512	4.3
109.10143	29.6
111.08089	4.4
115.05432	0.8
115.95784	0.6
116.98592	0.7
117.06999	3.4
118.02420	0.6
118.07804	0.7
119.08562	73.5
121.10129	38.1
121.10900	1.0
122.01904	0.6
123.08068	6.1
123.11679	15.2
125.09571	2.5
127.07542	0.8
131.08557	6.1
132.09308	0.8
133.10106	23.8
135.08026	2.8
135.11679	6.7
137.09650	4.9
137.13319	0.7
143.08510	0.7
145.10110	8.1
146.10928	0.8
147.11668	100.0
149.13283	10.6
151.11183	6.3
159.11671	3.3
160.12396	1.4
161.05960	0.8
161.09557	0.7
161.13217	19.7
163.11163	5.1
163.14786	10.0
165.12715	8.1
175.14804	4.1
177.09030	4.1
177.16338	3.2
185.13190	0.8
192.47354	0.7
203.14297	2.7
203.17928	64.8
221.15602	4.2
221.18962	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	2.4
55.05515	20.8
56.96558	1.2
57.07069	3.7
57.61535	1.3
59.04994	9.6
65.98570	1.4
67.05500	26.7
68.60547	1.4
69.07056	43.2
71.04985	1.5
79.05484	29.8
79.73743	1.5
81.07046	100.0
83.04980	1.7
83.08614	7.1
83.70300	1.7
85.06519	2.4
91.05465	25.3
92.09336	3.0
93.07029	33.1
93.42844	1.6
95.04985	1.7
95.08595	64.5
97.06526	12.9
98.97553	7.2
105.07019	61.7
107.08578	46.6
109.06506	6.7
109.10151	36.9
111.08095	1.9
111.11701	1.8
116.98623	2.1
117.07011	3.0
119.08566	48.2
121.10142	29.4
123.11681	13.2
133.10123	40.1
135.11682	9.5
137.13153	1.7
145.10112	2.7
147.11679	37.6
149.13245	2.4
161.13191	13.4
163.14789	2.5
173.13280	1.5
175.14835	10.4
184.21538	1.5
203.17950	38.8
221.15479	1.6
221.19182	12.6
233.85231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	0.9
55.05508	10.3
56.96538	1.2
57.07062	4.1
59.04990	5.2
65.03909	1.1
67.05497	13.8
69.07056	15.1
72.48222	1.0
76.55915	0.9
79.05479	10.6
81.07043	30.2
83.08585	1.7
85.06531	2.0
86.74048	0.8
91.05466	25.6
93.07027	24.8
95.04946	3.7
95.08586	56.6
95.77394	0.8
97.06519	1.0
98.97567	5.6
105.07016	75.5
107.08591	33.8
109.10146	21.4
116.98634	3.9
117.07008	4.4
118.07752	1.4
119.07715	1.8
119.08568	52.8
121.10126	29.8
123.08051	1.2
123.11697	6.0
127.11118	1.0
129.06970	0.9
131.08530	6.6
133.10109	25.6
135.07983	1.7
135.11653	9.1
143.08528	1.0
145.10081	6.7
146.10924	1.0
147.04405	1.7
147.08054	1.7
147.11671	100.0
158.05905	1.0
159.11621	2.3
160.12483	1.8
161.05908	1.0
161.09564	1.2
161.13232	15.3
163.14839	5.2
175.14810	4.4
177.09082	0.9
177.16342	2.2
203.17931	61.3
221.11618	1.2
221.15474	1.7
221.19063	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	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03939	0.7
55.05510	11.5
57.07079	1.0
67.05491	5.8
69.07056	100.0
79.05481	8.9
81.07038	45.1
81.86221	0.8
83.08574	1.9
91.05466	6.9
92.09235	0.9
93.07017	15.9
95.08583	9.9
105.07028	6.6
107.08579	5.1
109.10144	15.8
110.06738	0.8
111.08082	1.8
111.11704	73.2
111.92281	0.8
119.08563	5.1
121.10135	3.2
123.11689	3.4
127.11160	1.1
133.10095	2.0
135.11613	1.6
139.11176	1.7
147.11659	4.7
161.13234	1.0
203.17986	8.6
221.18973	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.03929	3.4
53.36092	0.6
55.01854	0.9
55.05265	1.0
55.05504	18.1
55.42670	0.6
57.07055	3.2
59.04992	7.8
61.94067	0.6
65.03931	0.7
67.05495	12.0
69.03407	1.8
69.07057	62.4
71.04970	2.8
79.05475	24.3
81.07040	100.0
83.08604	7.3
85.06519	1.2
91.05463	7.8
93.07020	19.6
95.04939	1.4
95.08584	21.8
97.06499	4.2
97.10153	0.8
98.97527	3.8
99.25929	0.9
105.07016	22.1
107.08582	20.4
109.06480	4.1
109.10146	17.8
111.11712	3.5
116.98598	1.3
119.08557	17.1
121.10132	14.6
123.08026	1.0
123.11684	9.4
125.09608	1.1
133.10123	8.7
134.99622	0.8
135.11719	5.6
135.56006	0.8
137.09605	1.1
139.11243	1.6
143.83614	0.9
147.11674	14.3
149.13264	3.2
153.12729	1.1
160.12468	0.8
161.13185	4.1
163.14787	1.6
163.51671	0.8
165.12677	1.1
176.18668	0.7
195.58690	0.8
203.17946	6.3
221.18959	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.83338	0.8
52.25962	0.8
53.03936	2.3
54.81734	1.0
55.05507	30.1
57.07060	5.6
59.05003	7.0
59.29498	0.9
67.05144	1.6
67.05492	38.3
69.03407	1.7
69.07054	31.8
71.04963	3.9
79.05471	31.4
81.07037	100.0
83.04962	15.3
83.08615	6.4
91.05464	21.9
93.07019	60.2
95.04935	4.8
95.08583	41.6
97.06516	1.0
97.10149	8.7
100.58720	1.1
105.04502	1.1
105.07014	42.7
107.08577	61.5
109.06502	6.3
109.10136	38.8
111.08057	2.5
111.11642	1.0
114.37198	1.1
119.08569	24.0
121.10134	13.2
123.08108	1.8
123.11681	8.4
125.09599	1.9
133.10117	16.4
135.11661	23.5
137.13240	1.2
147.11658	23.9
149.13210	1.3
151.11172	2.1
161.13213	8.6
163.14767	5.5
164.08798	0.9
165.12708	1.7
175.14825	4.5
177.10573	1.0
203.17934	23.2
221.18948	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.60246	1.1
52.66471	1.1
53.03947	2.7
54.40228	1.1
54.81584	1.7
55.05504	30.5
55.56036	1.3
55.76696	1.2
57.07065	3.0
59.04987	7.1
63.68607	1.2
65.47032	1.2
67.05492	37.8
69.07059	37.1
71.08571	1.5
72.63190	1.3
73.37220	1.5
78.36495	1.2
79.05473	38.4
81.07041	100.0
83.04971	17.5
83.08615	10.6
91.05468	25.5
91.48119	1.4
92.08705	1.7
93.07026	65.0
95.04953	2.4
95.08591	38.9
97.10149	10.2
105.07016	44.2
107.08584	65.2
109.06496	2.7
109.10149	44.9
111.08091	3.1
119.08557	30.3
121.10100	15.2
123.11656	10.9
125.09663	2.8
133.10110	16.3
135.11656	26.0
137.09732	1.6
139.11147	1.8
147.11681	23.7
161.13226	10.0
163.14809	7.7
165.12708	2.1
175.14801	2.9
190.71214	1.6
192.87288	1.7
203.17917	36.2
210.15846	1.7
221.19028	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	221.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60246	1.1
52.66471	1.1
53.03947	2.7
54.40228	1.1
54.81584	1.7
55.05504	30.5
55.56036	1.3
55.76696	1.2
57.07065	3.0
59.04987	7.1
63.68607	1.2
65.47032	1.2
67.05492	37.8
69.07059	37.1
71.08571	1.5
72.63190	1.3
73.37220	1.5
78.36495	1.2
79.05473	38.4
81.07041	100.0
83.04971	17.5
83.08615	10.6
91.05468	25.5
91.48119	1.4
92.08705	1.7
93.07026	65.0
95.04953	2.4
95.08591	38.9
97.10149	10.2
105.07016	44.2
107.08584	65.2
109.06496	2.7
109.10149	44.9
111.08091	3.1
119.08557	30.3
121.10100	15.2
123.11656	10.9
125.09663	2.8
133.10110	16.3
135.11656	26.0
137.09732	1.6
139.11147	1.8
147.11681	23.7
161.13226	10.0
163.14809	7.7
165.12708	2.1
175.14801	2.9
190.71214	1.6
192.87288	1.7
203.17917	36.2
210.15846	1.7
221.19028	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03909	0.7
55.05500	7.1
56.96575	1.0
57.07062	3.7
57.41117	1.0
59.04984	1.4
64.84294	0.8
67.05494	13.4
68.66653	0.7
69.07052	15.5
71.04974	27.4
71.08628	0.9
79.05471	14.6
81.07039	36.8
83.08607	5.9
85.06523	1.5
91.05459	11.6
93.07026	26.8
95.08584	73.7
97.06535	1.0
97.10130	1.1
98.97574	3.9
99.08112	0.9
103.05447	0.8
105.06295	1.2
105.07014	37.6
107.08580	74.7
109.06506	1.2
109.10144	30.1
111.08173	0.7
116.98595	1.7
119.08564	30.2
121.10109	22.8
123.08040	1.0
123.11681	6.7
125.09624	0.9
133.10104	24.1
135.11671	8.2
137.13257	3.6
145.10098	1.6
147.11667	51.5
160.12434	1.3
161.13240	14.0
163.14780	21.7
164.82397	1.0
172.07913	0.8
175.14772	6.8
177.16325	8.3
203.17932	100.0
219.94121	1.0
221.18985	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.81218	1.6
53.03914	2.5
55.05515	15.6
57.07069	3.9
59.40545	1.7
60.05563	1.6
63.22994	1.8
64.96829	2.2
67.05498	37.4
69.07057	28.6
71.04987	14.7
73.67513	2.1
79.05478	23.8
81.07044	100.0
81.07529	3.3
83.04952	4.0
83.08624	8.4
91.05468	32.1
93.07039	46.3
95.08588	88.6
97.06535	3.2
105.07014	73.2
106.41436	1.9
107.08585	95.7
109.06534	3.5
109.10141	76.6
111.08045	8.7
119.08569	47.9
121.10133	38.8
123.11685	19.2
133.10120	51.7
135.11659	11.7
137.09593	16.8
137.13286	2.4
140.43735	1.8
147.11674	64.8
148.52028	2.0
149.13234	5.0
161.13222	22.3
163.14812	33.3
165.12776	3.7
171.14307	2.1
175.14778	4.9
177.16431	2.6
203.17946	77.0
219.08492	1.9
221.18965	44.7
238.76605	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.6
55.01864	1.9
55.05511	11.7
56.96550	1.1
57.07061	4.0
63.73091	0.8
65.03924	1.5
67.05490	12.5
69.07047	13.4
71.04983	14.3
79.05061	1.5
79.05482	35.3
81.07037	100.0
83.04957	1.7
83.08620	1.9
91.05459	18.4
93.07024	43.0
95.04945	5.3
95.08581	25.0
97.06519	1.5
98.97572	3.7
99.08064	1.7
105.07011	30.3
107.04922	2.3
107.08577	85.3
109.06490	4.5
109.10150	16.8
110.62669	0.9
111.08083	0.9
111.11660	1.0
116.98600	1.0
117.06981	4.6
119.08553	39.9
120.09312	1.1
121.06487	2.0
121.10120	9.6
123.08056	1.8
123.11678	11.3
127.11160	4.9
131.08517	3.8
133.10106	21.6
135.08046	1.2
135.11670	76.9
137.05986	1.5
137.09663	1.1
137.13248	1.1
143.08524	2.4
145.10094	13.6
147.11665	12.6
149.13219	2.1
161.13246	9.0
163.11128	15.5
163.14909	1.6
175.14799	1.4
177.09084	1.1
179.14276	1.6
186.42323	1.0
203.14357	1.7
203.17972	15.5
221.15479	8.4
221.18993	8.9
230.18626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.00300	0.4
53.03935	0.8
53.30956	0.4
55.01873	3.1
55.05504	6.9
56.96552	0.6
57.03426	0.7
57.07051	1.8
59.04978	0.6
65.03917	0.5
67.05489	11.9
67.72607	0.4
69.03395	1.8
69.03890	0.3
69.07055	7.1
71.04962	2.5
77.57486	0.4
79.05474	14.2
81.07036	21.4
83.04952	1.9
83.08594	1.8
85.02875	0.7
85.06530	0.9
91.05460	13.6
93.07024	32.1
94.07327	0.4
95.04945	6.4
95.08583	13.7
97.06494	0.9
98.97558	2.8
103.05432	0.5
105.07013	28.8
107.04934	1.0
107.08578	30.5
109.06495	4.0
109.10139	10.4
111.08043	0.9
115.05434	0.5
116.98568	1.8
117.06985	7.3
119.08561	24.0
120.08766	0.5
121.06496	3.2
121.10122	13.2
123.08041	2.5
123.11677	4.6
128.06175	1.0
129.06955	1.9
130.07750	5.3
131.08534	2.3
133.10098	9.2
135.08029	2.1
135.11668	12.8
137.09630	0.7
143.08525	3.5
145.10098	34.7
146.10469	0.7
147.08006	0.9
147.10625	0.6
147.11670	12.4
149.09537	0.5
149.13266	3.7
151.11130	1.9
157.10100	0.6
159.11667	0.6
161.09572	2.4
161.13211	7.7
163.11148	100.0
163.14781	3.4
165.09079	0.8
175.07281	0.5
175.11246	0.5
175.14806	2.4
185.13234	2.2
203.14319	3.4
203.17946	9.7
221.15372	8.8
221.18935	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.82756	1.6
55.01872	2.5
55.05506	28.5
57.03425	1.7
57.07059	12.8
59.04986	3.0
59.37912	1.7
67.05496	43.4
67.46701	1.8
69.03417	2.1
69.07053	30.5
71.04964	7.9
79.05476	21.3
81.07039	56.7
83.08598	10.6
85.06525	3.9
91.05453	31.4
93.07021	55.7
94.07352	1.9
95.04953	2.6
95.08586	73.8
98.97552	11.8
99.46654	2.1
105.07011	84.7
107.08575	65.6
109.06496	3.8
109.10143	100.0
111.08060	4.2
113.09641	2.1
116.98618	9.5
117.06980	4.0
119.08566	65.5
121.10125	49.6
123.08015	8.9
123.11689	41.2
124.24230	1.9
125.09624	2.4
129.06955	2.2
131.08565	2.9
133.10120	39.2
134.99634	2.8
135.11641	9.2
137.09618	4.7
145.10098	10.7
147.11668	65.2
149.13239	61.2
151.11154	4.8
159.11688	2.6
161.05962	4.3
161.09618	3.6
161.13239	23.5
163.11176	2.4
163.14874	6.6
165.12761	7.3
175.11232	2.3
175.14780	7.7
176.73561	1.8
177.09079	9.9
177.16380	3.1
203.14244	4.0
203.17929	73.0
217.94185	1.8
221.11479	2.8
221.15315	8.4
221.18980	35.7
231.68399	2.1
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
53.03942	1.6
55.01876	2.3
55.05311	0.7
55.05511	11.4
56.96545	2.4
57.03431	11.7
57.07061	4.7
59.04982	1.6
63.56031	0.8
67.05486	17.8
69.03403	3.7
69.07052	20.4
71.04984	12.6
79.05470	16.9
80.05769	0.9
80.81361	0.9
81.07039	36.8
82.07344	0.9
83.04968	3.7
83.08598	4.4
83.13796	0.9
85.06520	4.2
91.05461	20.3
93.07024	39.6
95.04948	7.7
95.08583	38.9
95.42976	0.9
96.08916	1.0
97.06512	4.7
98.97555	2.1
99.04436	3.7
103.05465	1.6
105.07012	47.2
107.08582	35.5
109.06514	13.7
109.10149	35.9
111.08052	4.6
113.09589	1.4
117.07004	5.8
119.08559	47.4
121.06480	39.6
121.10107	21.1
123.08046	16.4
123.11640	8.6
128.06219	1.9
130.07735	1.7
131.08559	4.7
131.67905	0.9
133.10104	18.7
134.99600	1.2
135.08034	14.4
135.11668	21.8
135.13310	1.1
137.09579	9.4
143.08525	4.4
145.10126	10.2
146.10373	1.2
147.08032	6.1
147.11659	17.6
148.08804	1.3
149.09575	4.5
149.13245	13.2
151.11276	3.1
153.53030	1.0
159.11632	4.7
161.09668	8.5
161.13210	12.6
163.11154	100.0
163.14813	1.8
175.14818	5.9
179.10655	1.8
179.14276	23.6
185.13211	1.2
203.14272	6.9
203.17935	19.5
221.11638	1.2
221.15398	12.9
221.18990	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	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01863	0.6
55.05508	2.7
56.96549	0.6
57.03424	0.2
57.07052	1.8
59.04990	0.5
65.03944	0.3
67.05498	5.1
68.05825	0.3
69.03413	1.1
69.07057	3.3
71.04974	1.2
73.22351	0.2
74.59798	0.2
79.05476	9.6
81.03392	0.3
81.07041	24.4
83.04958	1.5
83.08584	1.1
85.06541	1.8
85.54005	0.3
91.05463	7.9
92.05788	0.4
93.07027	12.5
94.07356	1.6
95.04944	2.3
95.08591	8.6
96.08900	0.3
97.02905	0.3
97.06523	2.3
98.97571	2.0
102.96847	0.3
103.05487	0.5
105.07021	9.8
106.07340	0.6
107.04939	1.1
107.08575	5.6
109.06506	3.5
109.10149	2.4
111.08058	4.9
114.36490	0.3
115.05428	1.6
116.06236	1.0
116.39743	0.3
116.98600	1.4
117.07001	6.5
119.04961	0.4
119.08552	6.7
121.06506	2.1
121.10119	7.9
122.10468	0.3
123.08031	1.7
123.11663	0.4
128.06207	1.6
129.06996	1.1
130.06519	3.0
131.08548	3.3
132.04419	0.4
133.06462	1.4
133.10112	3.7
134.07256	1.1
134.99651	1.1
135.08022	3.9
135.11673	0.3
137.09601	0.4
139.07541	0.4
142.07724	0.5
143.08549	2.4
144.05620	0.3
145.06462	1.9
145.10110	1.6
147.08075	1.9
147.11629	2.5
148.07582	0.4
149.09637	1.8
149.13277	1.1
157.10188	0.4
158.05966	0.4
159.08038	0.5
159.11673	1.2
161.05940	1.9
161.09581	1.3
161.13220	2.0
162.06735	8.0
163.11183	0.5
165.09108	0.3
170.10912	0.3
171.08032	0.4
175.07529	3.7
175.11060	0.6
175.14784	1.2
176.07047	1.5
177.09084	100.0
178.09476	0.4
179.14233	0.3
185.13144	0.5
203.10619	1.0
203.14357	2.5
203.17947	2.0
221.11873	0.9
221.15378	2.8
221.18959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11531	0.1
64.17651	0.1
67.05489	0.2
69.07037	0.2
73.08296	0.1
75.03658	0.1
79.05470	0.4
81.07032	0.8
91.05453	1.4
93.07027	0.4
95.04922	0.2
95.08583	0.3
105.07020	1.1
107.08580	0.4
109.06454	0.2
109.10127	0.2
115.05457	1.1
116.06210	0.9
117.06998	6.0
119.04879	0.2
119.08542	1.1
121.06490	0.6
121.10146	0.2
128.06232	1.5
133.06459	0.8
134.07259	1.3
135.08022	0.7
135.11646	0.2
135.97966	0.2
143.08536	0.9
144.05698	0.7
145.06462	1.2
147.08095	0.2
149.06248	0.1
160.05154	0.6
161.05931	0.2
162.06723	7.9
163.11183	0.3
171.08060	0.3
175.07526	3.2
177.09077	100.0
178.09320	0.3
221.11652	0.3
221.15268	0.2
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
50.10749	0.1
53.79575	0.1
54.24546	0.1
55.05516	0.1
67.05482	0.2
69.07039	0.1
74.96056	0.1
79.05479	0.5
81.07014	0.6
91.05457	1.3
92.64381	0.1
93.07014	0.6
95.08588	0.9
105.07007	1.3
107.08563	0.6
109.10146	0.1
115.05431	1.2
116.06232	0.9
117.06995	6.0
119.04894	0.3
119.08543	0.8
121.06501	0.3
121.10104	0.2
128.06192	1.8
129.06905	0.1
133.06483	0.6
133.10112	0.3
134.07233	1.6
135.08026	1.0
143.08545	1.4
144.05696	0.7
145.06487	1.5
146.07173	0.2
147.04478	0.2
147.07973	0.3
147.11678	1.7
149.09645	0.2
160.05170	0.3
161.05943	0.5
161.13307	0.2
162.06734	8.5
171.07997	0.5
175.07527	2.6
175.11078	0.2
177.09076	100.0
178.09460	0.3
189.80862	0.1
203.17958	0.7
221.11623	0.4
221.15364	0.2
221.18950	0.2
236.37943	0.1
244.59520	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	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.3
55.01874	0.7
55.05271	0.5
55.05503	7.5
56.96549	0.6
57.03418	0.4
57.07053	2.6
59.04985	1.0
59.57600	0.4
59.73034	0.4
67.05492	7.5
68.02309	0.4
69.03398	0.7
69.07056	8.6
70.06554	0.6
71.04972	2.1
79.05478	6.6
81.07039	17.4
83.04962	0.6
83.08596	2.2
85.06532	1.7
88.07616	0.6
89.07905	0.4
91.05464	8.5
93.07029	13.4
95.04942	1.7
95.08588	12.9
97.06493	0.9
98.97531	0.7
105.07007	18.1
107.08573	14.0
109.06488	1.7
109.10147	16.3
109.41878	0.5
111.08068	0.9
111.11715	0.7
115.05448	1.0
116.98609	0.9
117.06998	7.4
118.23941	0.4
119.08556	16.8
121.06466	1.0
121.10114	9.8
123.08045	1.0
123.11681	6.3
125.09602	0.6
128.06198	2.6
129.06982	0.4
131.08534	1.1
133.06473	1.8
133.10120	8.4
134.07310	0.6
135.08040	2.4
135.11699	3.4
140.57684	0.5
143.08566	3.5
145.06467	1.9
145.10117	3.4
147.08025	0.8
147.10608	0.9
147.11667	14.4
149.09550	1.6
149.13242	8.4
151.11148	2.1
157.01689	0.6
157.10080	0.9
159.11644	1.8
160.12354	0.6
161.09602	2.1
161.13223	5.3
162.06744	7.2
163.11162	1.8
163.14839	0.8
165.09125	0.8
165.12706	1.0
170.10835	0.5
171.07986	0.7
175.02742	0.5
175.07545	3.2
175.14783	2.1
177.09076	100.0
178.09309	0.5
179.14281	0.8
185.13179	0.8
188.08366	0.4
188.55038	0.5
203.10637	0.9
203.14320	2.3
203.17917	11.5
220.21732	4.8
221.11684	0.7
221.15439	3.7
221.18979	6.6
223.99048	0.4
240.13428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61479	0.2
55.05518	0.7
57.07069	0.3
58.34810	0.2
67.05496	1.7
69.03416	0.3
69.07047	1.6
71.04967	0.2
71.98394	0.3
73.63976	0.2
77.08009	0.2
79.05495	1.8
81.07042	2.9
83.04961	0.3
83.08581	0.4
85.06538	0.4
91.05462	2.4
93.07031	3.2
95.04947	0.4
95.08594	2.4
97.06496	0.2
98.97583	0.3
105.07021	4.1
107.08592	2.5
109.06501	0.5
109.10152	1.5
111.71581	0.2
115.05425	1.0
116.06200	0.4
117.07002	6.6
119.04955	0.3
119.08570	3.7
121.06483	0.4
121.10117	2.7
123.08019	0.3
123.11674	0.6
128.06200	2.0
131.08594	0.3
133.06479	1.0
133.10101	2.2
134.07225	1.4
135.07990	1.8
135.11682	1.1
143.08525	1.8
144.05669	0.4
145.06474	1.3
145.10072	0.4
147.08067	0.5
147.11687	2.2
149.09639	0.5
149.13281	0.3
160.05168	0.5
161.05890	0.4
161.09633	0.5
161.13226	1.8
162.06735	7.7
163.11191	1.2
164.25490	0.2
171.08124	0.3
175.07550	2.7
175.14752	0.4
177.09082	100.0
178.09355	0.2
185.13051	0.2
203.10544	0.3
203.14307	0.5
203.17938	0.9
206.49292	0.3
213.74655	0.2
214.98192	0.3
221.11656	0.9
221.15344	1.0
221.18922	0.9
230.17920	0.2
232.97746	0.3
235.19408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	0.6
69.07021	0.3
79.05484	0.4
81.07025	1.4
81.52108	0.3
91.05467	0.4
92.09279	0.6
93.07018	0.5
95.08572	0.6
98.97569	3.9
100.97176	0.4
100.97985	0.5
101.00854	13.5
105.07035	0.6
107.08607	0.5
116.98602	2.0
118.03459	0.5
119.01897	100.0
119.08527	0.3
121.10125	1.4
123.21162	0.3
134.99620	1.2
137.02933	47.8
139.03368	0.4
142.03481	0.7
160.04489	0.8
161.02928	12.1
174.14615	0.3
178.05617	0.4
179.03976	33.3
189.58508	0.4
202.05591	0.4
221.05089	1.7
221.18982	0.4
242.90175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05509	0.6
57.03424	1.6
59.04999	5.9
62.98721	0.3
67.05482	2.2
69.03400	0.8
69.07050	1.4
70.17332	0.3
71.04974	0.7
79.05477	24.3
80.05795	0.3
81.03391	0.8
81.07042	29.4
83.04955	1.8
85.06548	0.6
89.12211	0.3
91.05457	4.7
93.07017	2.0
94.97623	0.3
95.04929	1.7
95.08569	0.8
97.02959	0.4
97.06510	0.8
98.97551	0.7
105.07003	0.8
107.08587	8.3
109.06508	100.0
109.17587	0.4
110.06910	0.4
115.30310	0.4
116.98588	0.7
119.08576	0.6
120.08897	0.4
121.06534	0.4
121.10143	1.9
122.10477	0.6
125.05905	0.6
127.07529	7.1
131.08536	0.4
134.10510	0.3
137.09636	0.4
146.10416	0.3
149.09592	2.3
160.11833	0.4
164.11497	0.4
166.98856	0.4
167.10704	1.8
184.33476	0.4
202.16748	0.5
220.17812	1.5
237.00500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenate
Peak:m/z	Relative Intensity
53.59311	0.9
55.05506	1.3
57.03409	1.3
57.07066	11.9
57.14320	1.1
58.83718	1.1
59.04993	12.7
60.50080	1.1
67.05492	16.8
69.07050	10.8
70.02939	11.7
72.04508	20.7
73.02897	5.2
74.02460	1.6
79.05489	6.1
81.07055	6.9
83.04961	2.7
84.93420	1.0
85.06538	17.3
86.09711	1.2
90.05546	100.0
91.05463	5.3
93.07014	11.2
94.07354	1.2
95.04936	11.5
95.08588	4.5
96.08098	1.9
98.02404	21.5
99.46515	1.2
103.07559	8.1
105.07001	5.8
107.08585	12.7
108.08919	1.1
109.06512	2.2
109.10152	2.5
113.05988	5.2
116.03481	12.4
119.08563	1.4
121.06476	4.0
121.10096	9.6
122.10498	1.2
124.07582	26.8
131.07089	1.6
131.08554	2.7
137.09608	2.5
142.08650	10.3
146.10454	1.5
149.09651	2.8
167.06990	1.4
167.10690	7.0
184.09669	16.0
202.10733	28.3
220.11790	33.3
220.13889	1.2
220.17770	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65113	0.4
53.00319	0.3
53.03959	0.4
55.01864	0.4
55.05502	1.7
56.96552	0.9
57.03414	1.9
57.07057	0.4
58.55102	0.3
59.04978	0.6
59.58251	0.3
63.73684	0.4
67.05480	1.9
69.03423	0.5
69.07038	1.8
71.04987	0.5
78.05464	0.4
79.05476	9.1
81.07038	3.9
83.04954	0.6
91.05468	6.8
93.07027	14.8
95.04946	1.9
95.08597	8.1
97.06491	0.7
98.97572	1.6
103.05463	0.5
105.07009	8.0
107.04943	0.5
107.08580	25.0
108.08944	0.5
109.06520	5.4
109.10128	2.1
110.10423	0.4
111.08036	0.9
116.06217	0.5
116.98602	0.6
117.98935	0.5
119.08582	3.3
121.06499	0.8
121.10126	17.9
123.08048	2.9
125.05926	0.6
125.09607	0.5
129.06938	0.6
131.08516	6.0
132.04483	0.4
134.99666	0.6
137.09599	100.0
139.07526	0.5
139.11136	0.7
146.06030	0.4
147.06329	0.5
149.09596	9.8
150.86443	0.5
167.07011	0.4
167.10631	3.7
177.12436	0.4
202.14461	0.6
202.16824	0.6
210.78152	0.4
219.17410	0.4
220.15442	0.6
220.17830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03947	3.9
54.82364	3.2
55.05504	32.1
57.07076	2.9
59.04995	4.9
62.79512	2.4
65.03935	2.6
67.05493	87.5
67.05849	4.0
69.07049	42.6
71.04972	4.9
73.44268	3.2
79.05467	35.9
81.07032	100.0
83.04962	84.4
83.05425	4.1
91.05458	38.2
93.07024	52.2
95.04973	12.7
95.08580	50.3
97.06519	10.7
102.18970	3.0
103.05421	3.4
105.07005	63.7
107.04933	3.3
107.08558	36.9
109.06520	12.4
109.10149	68.6
111.08096	12.8
117.07030	20.0
119.08569	33.4
121.10133	28.7
123.08064	3.8
128.19307	3.2
131.08516	28.5
133.10120	31.9
135.11702	16.7
137.09575	22.0
144.09312	4.3
145.10106	42.8
147.11702	5.7
151.11113	4.7
159.11664	27.2
161.13278	13.6
163.11220	12.5
170.38298	3.1
173.13184	6.2
175.14896	4.7
201.16376	25.4
219.17410	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.66273	1.9
50.72569	2.0
54.82038	2.6
55.05503	30.1
57.07067	5.4
59.04990	5.1
67.05496	83.7
69.07063	37.7
71.04974	4.3
79.05486	38.4
81.07043	100.0
82.39853	2.8
83.04971	42.0
83.08603	4.3
90.67677	2.5
91.05460	34.5
93.07027	58.4
95.04951	13.5
95.08585	57.7
97.06491	4.0
105.04519	2.5
105.07015	63.1
107.08594	54.3
109.06503	11.8
109.10147	81.3
111.08067	13.9
117.06992	19.6
119.08561	57.7
121.06467	2.9
121.10116	27.6
123.08041	9.8
123.11683	4.7
125.09630	4.4
131.08556	30.1
133.10106	22.4
135.11702	15.1
137.09634	21.1
144.81161	2.8
145.10112	46.8
147.11697	6.5
149.09584	11.4
151.11130	5.9
159.11630	26.9
161.13245	30.7
163.11186	10.2
173.13322	5.4
175.14789	4.5
186.13985	2.8
201.16386	31.0
219.17450	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92486	0.8
55.01865	1.6
55.05491	1.6
56.96549	2.2
57.07063	13.1
59.04986	8.2
65.64948	0.9
67.05486	12.6
69.07040	10.7
70.02931	9.3
72.04499	24.8
73.02884	6.9
74.02400	2.4
79.05460	4.9
81.07028	9.6
83.04951	4.6
85.06539	13.7
87.64916	1.0
90.05533	100.0
91.05455	5.1
92.08718	1.5
92.11235	1.0
93.07021	9.5
95.04948	10.2
95.08597	5.9
96.08101	1.6
98.02394	23.7
98.97546	5.7
100.03981	1.7
103.07570	8.4
105.07024	4.2
107.08576	8.2
109.06474	2.3
109.10133	1.8
113.05964	7.0
116.03439	11.7
116.98590	2.3
118.07298	1.1
119.08569	2.3
121.10146	5.8
124.07561	25.8
125.09612	2.1
131.07022	1.2
131.08575	2.2
131.77640	1.0
137.05948	4.2
137.09573	5.0
139.11192	1.5
142.08627	8.4
146.06088	1.4
147.94604	1.4
149.09631	2.6
160.09651	2.1
166.08568	1.5
167.10677	4.1
174.05437	2.0
174.11206	2.4
184.09645	16.0
185.08101	1.4
202.10707	27.0
219.17322	1.3
220.11768	35.6
220.17654	1.7
231.82410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.13300	2.3
51.46732	1.9
53.03935	3.3
55.05505	29.4
55.82676	2.3
57.07053	2.4
59.04984	3.1
59.19408	2.3
62.80452	2.3
63.13069	2.2
63.99071	2.0
67.05495	55.7
69.03425	3.2
69.07066	29.3
69.95030	2.4
71.04985	5.6
75.78328	2.6
79.05475	50.2
79.84032	2.5
81.07043	100.0
83.08613	3.4
85.06490	2.8
91.05466	38.0
92.08820	5.6
92.89132	2.4
93.07033	68.6
93.75641	2.7
95.04938	5.4
95.08588	64.3
97.06530	6.1
97.10152	5.3
103.42091	2.6
105.07022	77.5
107.08575	63.8
109.06548	11.9
109.10155	51.4
111.08051	4.5
117.07004	19.2
119.08559	56.9
121.10124	41.8
123.11695	6.0
125.09609	5.6
129.06973	4.0
131.08556	36.2
133.10097	30.3
135.11664	15.4
137.09630	4.6
145.10107	77.4
147.11693	6.4
159.11693	50.7
161.13217	47.1
163.11113	4.6
173.13243	11.2
175.14819	11.2
201.16382	64.1
219.17410	57.7
227.18810	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.00748	2.5
53.03943	4.6
54.81775	3.0
55.05507	23.5
57.03433	3.3
59.04995	12.6
59.98980	2.6
60.37807	2.7
67.05496	97.1
69.03397	3.2
69.07058	43.4
77.03930	3.0
79.05486	31.4
81.07046	100.0
83.04970	47.2
83.08578	5.4
91.05457	34.9
93.07030	49.7
94.73526	2.9
95.04926	7.6
95.08575	44.8
97.06516	4.0
105.07018	49.8
107.08602	42.1
109.06512	16.5
109.09497	3.9
109.10155	71.1
111.08086	14.0
117.06999	18.8
119.08585	38.8
121.10122	18.5
123.08025	7.2
131.08545	21.2
133.10106	17.4
135.08040	5.3
135.11662	16.6
137.09593	28.0
145.10095	40.1
147.11679	6.0
149.09622	5.6
149.13228	4.1
151.11223	4.7
159.11691	23.1
161.13220	7.6
163.11130	3.9
173.13170	5.1
201.16382	24.5
219.17456	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03942	3.0
55.01858	5.8
55.05503	43.6
59.04980	15.1
65.03913	3.9
67.05494	97.9
67.05848	3.4
69.07056	58.2
71.04979	3.5
73.38997	2.5
79.05470	40.3
81.07040	100.0
82.01714	2.6
83.04966	88.8
83.05434	4.5
83.08614	5.0
85.06557	4.3
91.05457	41.7
93.07021	67.0
95.04943	19.0
95.08584	67.9
97.06531	5.6
99.91922	2.6
105.07019	58.4
107.04916	3.9
107.08587	43.4
109.06526	23.6
109.07171	2.8
109.10139	95.7
109.10860	4.6
111.08075	17.6
117.07001	18.0
119.08555	44.1
120.16229	2.3
121.06494	4.6
121.10128	34.7
123.08044	5.4
123.11710	4.4
125.09542	2.8
127.07545	3.5
129.07013	3.8
130.07762	5.7
131.08543	35.2
133.10069	27.9
135.08038	5.6
135.11679	16.3
137.09589	27.2
143.08673	2.3
145.10118	47.6
147.11647	10.3
149.09639	13.8
149.13261	3.9
151.11206	14.0
159.11659	21.0
161.13229	15.0
163.11179	13.4
173.13268	9.3
175.14845	3.3
189.82338	2.7
201.16319	36.9
217.21124	2.7
219.17397	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03930	3.8
55.05515	24.0
56.82643	1.6
57.07061	3.7
58.67591	2.1
59.04981	3.6
59.05729	1.8
67.05492	50.1
67.05846	2.2
69.07069	20.6
71.04971	2.9
72.61235	2.0
77.52530	1.9
79.05470	38.2
80.29686	2.1
81.07040	100.0
83.04961	3.3
83.08598	4.8
85.06516	2.0
91.05466	40.6
92.08950	3.7
93.07021	77.3
95.04937	8.7
95.08589	56.4
97.06500	8.5
97.10161	8.6
105.07017	77.6
107.08578	49.6
109.06506	13.4
109.10159	40.9
111.08070	9.8
115.89515	2.1
117.07015	21.1
119.08565	45.7
121.06488	3.0
121.10123	49.8
123.08054	9.2
123.11698	3.8
125.09592	10.0
129.06993	3.3
130.07751	3.8
131.08542	28.6
133.10089	27.5
135.11685	16.6
137.09598	3.9
143.08530	2.9
144.09344	3.3
145.10127	74.1
147.11678	9.4
149.13231	2.9
159.11671	46.3
161.13222	53.9
163.11156	4.0
173.13213	17.3
175.14803	11.6
177.12665	2.8
191.17915	2.6
201.16353	55.2
219.17419	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Bisacumol
Peak:m/z	Relative Intensity
53.53625	1.0
54.66121	1.1
54.81548	1.1
55.05507	16.6
57.07054	2.2
59.04988	2.7
65.04697	1.3
67.05493	12.3
69.07054	30.0
70.96814	1.3
71.04963	1.6
79.05480	11.5
81.07037	27.4
83.08597	3.1
85.06526	1.5
91.05460	14.9
93.07020	34.7
95.04937	4.9
95.08583	21.5
97.06488	2.9
97.10133	2.4
105.07016	33.0
107.08583	49.3
109.06506	14.3
109.10142	17.1
116.25189	1.1
117.06998	7.7
119.08559	20.9
121.06454	13.1
121.10118	21.8
123.08051	5.4
123.11725	1.7
130.07767	3.1
131.08508	13.0
133.10080	11.0
134.07251	2.9
135.08025	23.7
135.11649	15.1
136.08792	2.2
137.09596	12.4
137.13206	1.9
143.08578	2.6
144.09372	2.6
145.10112	32.1
147.11655	6.2
149.09599	5.7
149.13235	4.9
151.11157	4.7
157.10138	1.9
158.10875	2.1
159.11667	33.3
161.09595	9.2
161.13229	11.5
163.11099	17.3
173.13231	3.1
175.14812	1.7
176.11909	10.5
177.12663	6.5
191.17902	5.2
200.23836	1.3
201.16393	18.7
219.17418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.28673	3.0
54.81823	3.3
55.05497	20.9
57.07049	8.9
61.76831	4.0
67.05492	28.6
67.87680	3.4
69.07047	49.0
71.04979	8.0
79.05463	27.2
81.07035	72.3
83.04977	9.8
83.08580	9.8
85.06519	5.0
90.60210	3.6
91.05474	36.4
93.07017	74.0
93.65430	4.1
95.04971	47.1
95.08591	56.8
97.06516	16.2
97.13211	3.8
105.07012	100.0
107.08575	64.6
109.06516	19.0
109.10154	32.8
115.76122	3.7
117.06984	24.3
119.08553	75.6
121.06487	21.6
121.10130	42.4
123.08015	6.3
123.11681	8.1
130.07755	8.0
131.08546	41.2
133.10095	45.5
135.08029	8.6
135.11664	23.4
137.09529	6.0
137.13205	16.5
143.08594	6.5
144.09319	6.9
145.10109	87.2
147.11702	19.0
149.09608	8.3
149.13251	7.3
157.10107	6.2
159.11639	73.3
161.13248	27.5
163.11162	22.6
163.14812	6.0
167.64519	4.1
173.13240	7.8
175.14851	14.6
177.12778	10.1
177.16264	6.3
191.17918	6.8
200.52661	4.1
201.16325	56.5
219.17393	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
55.05490	19.9
57.07053	3.3
67.05491	31.7
69.03404	4.8
69.07055	29.1
79.05463	16.2
81.07041	46.2
83.04957	5.2
83.08590	6.0
83.16928	3.1
91.05457	27.3
93.07021	38.5
95.04929	10.3
95.08584	24.7
97.06539	3.2
105.07008	37.8
107.08572	45.6
107.11614	2.9
109.06493	13.7
109.10168	26.4
110.77664	3.2
114.24445	3.1
115.05433	3.4
117.06979	7.4
119.08548	32.7
121.06489	70.2
121.10118	22.9
123.08045	12.8
123.11690	19.6
130.07738	3.6
131.08540	11.9
133.10098	20.6
135.08028	95.9
135.11668	16.7
137.09512	6.9
144.09338	3.3
145.10092	35.2
147.07877	3.3
147.11665	6.4
149.09631	6.5
149.13300	4.3
157.10109	3.1
159.11678	30.1
161.13177	5.8
163.11150	21.6
175.14780	5.0
176.11929	6.1
177.12703	5.4
201.16360	21.7
219.17409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.00313	2.2
53.03946	2.9
55.05509	28.4
57.07059	2.4
58.41782	2.1
59.04996	4.6
64.81502	2.1
65.03923	3.6
66.64249	2.5
67.05490	83.4
68.41196	2.0
69.03424	11.5
69.07055	39.1
71.04984	3.4
74.41881	2.3
79.05473	41.2
81.07038	100.0
83.04965	67.2
83.08591	4.1
85.37603	2.2
91.05480	35.6
93.07029	57.9
95.04953	13.6
95.08589	51.6
97.06523	8.8
105.07015	57.6
107.08588	58.8
109.06525	14.8
109.10144	68.7
109.10860	3.7
111.08076	15.6
117.07014	15.7
119.08559	36.4
121.06508	5.1
121.10122	24.7
123.08031	4.2
123.11731	3.7
125.09638	3.5
130.22240	2.1
131.08575	27.2
133.10118	25.4
135.08037	3.4
135.11655	20.6
136.58975	2.1
137.09622	20.9
143.08546	4.5
145.10127	47.2
147.11682	12.3
149.09601	3.7
151.11160	4.8
159.11674	26.1
161.13261	13.5
163.11179	13.1
164.79594	2.2
173.13217	4.9
175.14664	3.5
201.16351	47.6
219.17381	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
52.66172	0.9
53.03933	2.3
55.02638	0.9
55.05509	12.4
59.04988	2.0
62.39950	0.9
65.49857	0.9
67.05496	26.8
69.03419	4.8
69.07056	17.4
71.04984	1.0
79.05482	37.4
79.05954	1.3
80.06274	1.9
81.07043	100.0
82.04187	1.6
83.05029	1.6
83.08607	3.7
91.05465	12.7
92.09227	1.3
93.07024	25.6
95.04961	9.6
95.08582	20.1
97.06531	9.3
105.07012	24.4
107.08582	26.1
109.06512	8.0
109.10146	35.3
111.08051	1.0
114.86188	0.9
117.07004	4.9
119.08573	22.6
121.10114	12.0
123.08065	10.0
123.11712	4.2
130.07770	1.2
131.08588	5.5
133.10133	5.6
135.08047	1.6
135.11682	10.2
136.35658	1.0
137.09627	4.9
138.10426	5.9
144.09395	1.1
145.10080	11.9
147.11681	11.9
149.09615	2.3
151.11194	3.9
159.11699	10.6
161.13240	4.2
163.11182	6.7
175.14906	1.1
177.12793	1.4
195.33116	1.2
201.16304	8.2
219.17404	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.01864	2.9
55.05500	17.2
57.07068	4.7
59.04961	2.5
60.68896	3.4
67.05489	51.0
67.39061	2.8
69.07051	38.6
69.59209	2.7
71.04969	7.5
79.05483	35.0
81.07042	100.0
83.04967	7.0
83.08591	4.4
85.06520	3.3
89.89056	3.7
91.05457	38.6
93.07037	59.0
95.04949	5.7
95.08586	49.6
97.06512	5.1
97.31876	3.1
105.07014	85.0
107.08596	51.3
109.06487	5.7
109.10149	49.2
111.08086	6.4
117.07007	29.3
119.08565	56.4
121.06499	3.8
121.10110	26.9
123.08018	4.1
125.37327	3.8
129.06972	6.1
130.07750	7.8
131.08588	36.2
133.10114	35.0
135.08028	4.7
135.11668	19.6
137.09532	5.0
137.35880	3.1
143.08540	6.3
145.10112	93.4
147.11655	14.4
149.09613	5.5
151.11128	5.0
159.11661	47.5
161.13199	16.2
163.11137	21.3
173.13223	7.5
175.14844	5.7
201.16325	28.9
219.17366	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	219.1744
Annotation	Solavetivone
Peak:m/z	Relative Intensity
53.03941	2.4
55.05507	6.5
57.07059	5.7
66.59639	1.3
67.05501	13.3
69.07059	14.9
71.04990	2.7
72.07355	1.4
79.05077	1.7
79.05458	15.0
81.07048	48.5
83.08611	2.6
85.06568	2.0
91.05479	6.4
93.07012	16.6
95.04959	3.7
95.08585	13.3
97.06513	1.9
105.07033	19.9
107.08569	17.4
109.06509	41.5
109.10149	17.9
117.06973	3.2
119.08569	14.2
121.10087	11.0
123.08034	1.5
123.11712	2.4
131.08569	6.8
133.10144	3.2
135.08067	2.0
135.11681	9.7
137.09679	1.8
138.10400	1.9
145.10147	17.7
147.11725	2.6
149.13245	1.8
151.11171	100.0
159.11722	9.0
161.13203	5.4
163.11198	2.1
175.14906	1.7
181.62308	1.5
186.06476	1.5
201.16402	7.6
219.17421	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03935	2.5
54.80997	1.9
55.05497	11.8
57.07060	2.2
67.05492	23.4
69.03413	4.7
69.07066	20.6
79.05472	32.1
81.07043	100.0
83.04934	1.8
83.08609	2.6
89.61420	1.7
91.05459	13.8
93.07036	20.6
95.04944	8.4
95.08588	22.2
97.06499	11.5
105.07018	28.8
107.08587	28.7
109.06525	2.7
109.10141	30.2
117.07008	3.8
119.08577	18.6
121.10057	13.7
123.08011	9.6
123.11635	2.6
129.96873	1.8
131.08551	8.1
133.10100	8.9
135.11671	12.2
137.09607	4.1
138.10399	3.7
143.08629	2.6
144.09291	2.4
145.10155	17.1
147.11713	9.4
149.09639	3.1
151.11093	3.0
159.11655	8.3
161.13252	4.4
163.11160	9.1
201.16331	4.2
208.02332	2.2
219.17448	11.7
219.21439	1.8
224.86707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
50.04831	3.6
54.82137	4.3
55.05529	17.3
58.56647	4.2
65.47443	4.7
67.05489	49.9
69.03407	7.3
69.07055	96.3
71.04987	4.7
79.05471	37.9
80.93903	4.9
81.07041	80.2
83.04974	8.3
85.06536	8.6
91.05464	38.3
93.07019	92.3
95.04944	49.9
95.08595	74.0
97.06522	11.2
104.58102	5.2
105.07006	97.6
107.08584	86.9
109.06509	9.8
109.10155	47.3
115.14463	4.4
117.06975	31.0
119.08557	82.5
121.06466	18.4
121.10121	42.9
123.11703	7.9
128.42834	5.1
131.08575	47.9
133.10103	59.4
135.08011	9.2
135.11661	55.3
137.09633	6.4
144.09370	5.2
145.10095	67.8
147.11684	22.4
149.09634	6.6
149.13194	8.4
159.11673	61.1
161.13219	36.5
163.11183	26.4
165.02666	5.4
173.13185	8.7
175.14786	57.0
177.12767	9.8
177.16396	10.2
191.17902	31.6
195.26921	5.3
201.16277	39.2
219.17433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
52.97574	1.7
53.03929	2.8
55.01875	2.4
55.05501	34.6
57.07076	2.7
58.50645	2.0
59.04993	4.2
59.05271	1.7
64.33045	2.0
65.03927	2.2
67.05492	93.1
69.07050	41.4
71.04971	4.2
71.27563	2.0
79.05479	38.8
81.07032	100.0
83.04962	53.1
83.08601	10.4
85.06516	2.3
90.06550	2.0
91.05450	38.6
93.07025	60.4
93.33358	2.0
95.04953	9.1
95.08580	67.3
97.06515	13.2
103.97342	2.4
104.00797	2.2
105.07005	56.1
107.04935	3.6
107.08572	51.1
109.06502	14.6
109.10145	70.0
109.45949	2.1
111.08054	14.1
115.39004	2.1
117.07008	18.6
119.08562	49.9
121.06483	4.3
121.10114	25.5
123.08051	4.3
123.11699	3.6
125.09579	5.2
131.08534	26.3
133.10095	26.5
135.08069	3.9
135.11661	18.5
137.09599	23.9
145.10095	51.8
147.11681	11.2
149.09615	14.4
151.11183	10.6
157.10109	2.5
159.11656	26.0
161.13203	17.6
163.11131	11.5
173.13234	11.6
201.16345	24.2
219.17378	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	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03938	0.4
55.05510	6.4
67.05499	0.9
69.07042	0.4
71.04982	0.4
79.05479	7.9
81.07040	3.6
83.04969	35.6
91.04952	0.5
91.05458	5.5
92.09303	0.4
93.07029	34.5
95.04974	1.1
95.08595	0.9
103.05441	0.5
105.07011	7.5
107.08569	1.6
109.06508	0.4
109.10133	2.4
111.08073	0.6
117.06993	0.5
119.08550	2.8
121.10126	100.0
123.08040	1.8
130.07800	0.3
131.08577	0.6
133.10118	0.8
135.11711	0.6
145.10130	1.8
153.86494	0.3
159.11662	1.9
161.13263	0.6
175.14835	0.6
201.16415	1.7
219.17433	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.80384	1.3
53.03927	2.1
55.01895	1.4
55.05490	9.8
57.07060	3.2
67.05486	25.6
69.03413	2.1
69.07062	15.5
70.15965	1.5
71.04980	2.6
79.05475	32.4
81.07037	100.0
82.04187	2.2
82.95666	1.7
83.08614	2.1
87.51025	1.3
91.05459	11.4
93.07023	22.7
95.04940	9.8
95.08585	19.0
97.06522	10.8
100.10479	1.5
105.06998	21.3
107.08567	22.3
107.83729	1.4
109.06489	6.4
109.10147	29.8
111.08058	1.8
117.06992	9.2
119.08559	24.6
121.06457	1.6
121.10122	12.5
123.08027	10.1
131.08534	8.7
133.10089	11.5
135.07999	2.9
135.11658	10.0
137.09613	2.2
138.10353	3.5
145.10092	13.5
147.11667	11.7
151.11162	5.8
159.11696	15.3
161.13191	3.0
163.11157	8.5
169.39145	1.9
190.08087	1.5
201.16357	3.3
215.77348	1.5
219.17422	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05508	20.5
56.39217	1.7
57.07062	9.2
59.04988	3.0
67.05492	33.8
69.03419	3.4
69.07058	29.1
71.04993	4.1
75.75566	2.0
79.05476	40.7
81.07040	62.2
83.04967	8.8
83.08592	9.7
85.06518	3.3
91.05460	49.3
93.07019	71.1
95.04938	11.8
95.08585	45.4
97.06531	5.0
98.97569	3.0
103.05437	2.8
105.07014	100.0
107.04935	2.5
107.08569	49.9
109.06497	29.8
109.10147	63.2
111.08044	4.6
111.54939	2.1
114.42426	2.0
115.05436	3.3
117.06998	55.1
119.08559	61.3
121.06469	10.4
121.10122	44.8
123.08050	2.7
123.11636	10.0
125.09631	2.6
128.06187	2.5
129.06984	12.0
130.07780	5.4
131.08533	55.9
133.10109	82.8
135.08043	11.3
135.11690	22.6
137.09636	3.4
141.06929	3.3
143.08549	5.1
144.09299	5.0
145.10110	91.3
147.11667	39.3
149.09554	2.9
149.13246	5.1
157.10103	3.6
158.10886	2.6
159.11665	77.6
161.13199	33.1
163.11163	12.5
171.11649	2.9
173.13231	17.9
174.06783	8.3
175.14799	5.1
189.09155	3.9
191.14221	2.4
191.17953	2.7
201.16350	94.9
219.17406	99.2
228.05484	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03918	1.9
54.81763	1.2
55.01864	1.1
55.05509	10.8
56.96560	1.2
57.07058	6.9
57.93847	0.9
59.04992	1.9
62.05647	0.9
63.31254	0.9
65.32064	1.0
67.05146	1.2
67.05492	33.8
69.03403	5.6
69.07055	20.3
71.04950	1.0
79.05470	33.3
81.07039	100.0
82.04151	1.1
83.04961	2.7
83.08641	2.9
85.06519	1.2
91.05450	19.0
93.07020	32.4
93.42115	1.1
94.23039	1.1
95.04946	10.2
95.08588	29.4
97.06538	8.6
103.54198	1.0
105.07013	35.7
107.04975	1.6
107.08586	33.5
109.06487	5.7
109.10140	34.5
111.08053	4.8
115.05347	1.0
117.06985	10.3
119.08569	28.5
121.06480	1.9
121.10120	15.3
123.08035	9.0
123.11663	4.3
129.06934	1.3
130.07730	2.6
131.08562	12.9
133.10136	12.0
135.11658	12.8
137.09586	6.2
138.10352	6.5
143.08548	1.4
144.09378	1.6
145.10115	20.1
147.11667	13.4
149.09584	2.5
149.13280	2.6
151.11180	2.6
159.11662	17.2
161.13245	9.4
163.11154	12.6
173.13237	2.6
175.14761	6.0
177.12732	2.1
191.17979	1.3
201.16393	14.7
219.17436	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	217.1586
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
52.55439	0.3
53.03930	0.5
55.05493	1.3
57.81829	0.3
59.51728	0.3
67.05484	2.5
69.07053	4.1
70.07742	0.3
76.56548	0.4
77.13307	0.3
80.19514	0.3
81.07038	0.4
82.68246	0.3
83.04969	0.5
83.08596	0.5
91.05470	4.4
93.07030	2.9
95.04964	0.4
95.08527	0.4
105.07009	25.2
107.04916	1.7
107.08578	1.8
107.40829	0.4
109.10143	3.6
115.05426	0.7
117.06991	1.7
119.08559	3.7
121.06477	30.4
128.06195	1.6
131.04907	0.6
131.08517	0.8
132.05713	0.7
133.06483	2.7
133.10106	17.9
135.08031	15.1
142.07730	0.5
143.08519	1.8
145.06483	1.8
146.07245	18.6
147.08012	5.2
147.11673	0.5
155.07022	0.6
155.58833	0.5
157.10112	0.8
159.07993	0.6
160.08815	2.7
161.09586	100.0
173.08160	0.5
175.11151	9.4
217.10548	0.5
217.15849	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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52492	47.2
60.01197	50.2
74.27337	51.5
76.14637	53.9
86.80946	50.4
217.37311	54.4
219.02658	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
54.27506	1.7
54.81970	1.7
55.05497	13.3
56.65545	1.7
57.03421	2.1
64.33728	1.9
67.05486	28.8
69.03408	4.7
69.07045	25.3
71.04973	3.3
73.57899	1.8
79.05467	36.5
81.07035	94.6
82.04142	2.1
83.04929	2.6
83.08611	2.7
91.05459	35.1
91.06010	3.0
92.08543	2.5
93.07027	28.8
95.04932	12.5
95.08585	27.6
97.06511	10.7
103.05424	3.7
105.07011	43.5
107.08575	30.1
109.06495	11.3
109.10143	28.5
111.08030	3.3
115.05419	13.5
116.06184	2.0
117.07004	12.9
119.08558	30.7
121.06512	3.0
121.10123	15.4
123.08040	14.3
123.11681	3.7
128.06209	14.8
129.06979	65.4
130.07751	3.4
131.04877	12.2
131.08542	67.8
133.10115	23.4
135.08046	7.7
135.11656	11.4
137.05971	11.4
138.10364	3.9
141.06961	49.4
143.04900	2.9
143.08531	3.0
144.05685	4.8
144.09314	2.7
145.06439	15.2
145.10121	28.1
146.07225	7.4
147.07996	2.2
147.11639	14.0
149.09624	3.0
149.13220	2.2
151.07538	3.5
151.11121	2.8
155.08533	2.1
157.06432	24.8
158.07234	34.5
159.04364	2.5
159.08022	29.1
159.11644	27.1
160.05164	8.3
160.08961	2.0
161.09592	19.2
161.13200	10.4
163.07407	2.1
163.11185	10.4
169.06425	19.1
169.07651	2.2
170.07214	8.3
171.08005	3.1
173.05882	4.1
173.13226	2.7
174.06720	100.0
175.07516	13.3
175.14771	4.5
177.12737	2.9
186.06741	18.1
188.08258	3.5
189.09070	86.3
191.10660	4.3
191.17897	2.4
201.09058	34.8
201.16264	15.2
219.10118	78.0
219.13585	2.7
219.17427	21.7
235.07210	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03939	0.7
55.05503	9.1
57.07082	0.8
67.05505	6.8
69.07050	6.4
79.05484	8.8
81.07033	12.5
83.04966	11.0
86.67232	0.7
91.05470	12.7
92.08766	1.0
93.03397	2.0
93.07031	7.7
95.04915	1.0
95.08605	3.5
101.06006	1.7
105.07014	36.2
107.04948	1.3
107.08583	12.9
107.61720	0.8
109.06522	3.3
109.10142	4.9
111.04415	8.1
117.06988	2.0
119.04960	1.0
119.08550	10.4
121.06485	27.3
121.10161	1.6
123.01302	0.8
127.07546	0.9
128.06223	1.7
129.05450	1.3
129.07011	1.7
131.08566	4.4
133.06502	1.3
133.10110	22.2
135.08035	20.2
142.07800	1.3
143.08511	6.2
145.06471	2.0
145.10103	1.3
146.07245	20.6
147.08055	5.7
155.07040	7.8
155.08215	1.1
157.10052	5.7
159.11710	2.0
161.09587	100.0
171.15546	0.8
173.08086	5.0
173.13191	1.2
175.11159	5.0
190.32011	0.9
197.88759	0.9
199.14848	1.7
217.10764	3.4
217.15863	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	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03940	4.4
55.05508	41.6
57.07047	2.7
61.79940	3.0
65.03930	4.7
66.71707	2.9
67.05486	33.3
69.03406	17.2
69.07045	12.2
71.04967	3.4
72.46732	3.1
72.50682	2.6
79.05483	50.1
81.07047	62.4
83.04973	53.7
83.08617	3.0
87.13110	2.8
88.64307	2.8
89.05971	4.3
91.05464	63.7
93.03400	22.8
93.07018	38.1
95.04939	6.9
95.08580	24.5
97.06536	5.0
101.06001	12.6
103.06895	3.1
105.07018	100.0
107.08579	64.8
109.06510	16.6
109.10128	7.4
111.04426	49.1
111.08074	3.9
113.06007	3.6
117.06979	14.0
119.04875	3.9
119.08548	45.9
121.10145	16.2
123.08020	11.4
128.06197	6.7
129.05457	4.1
129.06981	15.1
131.08546	35.3
131.32683	2.8
133.06487	5.4
133.10092	50.6
135.08044	48.1
142.07767	18.6
143.08575	27.4
145.10097	14.9
147.08032	14.5
147.11684	12.0
149.09656	4.5
155.07013	46.1
157.10091	31.4
159.11690	32.7
161.09648	22.5
173.08092	30.8
173.13300	16.7
175.11081	4.3
175.14842	4.6
187.48042	3.4
189.16341	5.1
195.17302	3.1
199.14780	24.4
200.41031	2.9
217.10695	21.9
217.15828	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	217.1589
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03952	4.3
55.01849	5.6
55.05507	34.3
59.04999	2.9
65.03942	16.3
67.03711	2.6
67.05498	30.0
69.03405	5.3
69.07062	15.9
79.05482	71.6
81.07044	100.0
83.04964	47.3
91.05465	78.6
93.03384	34.9
93.07031	53.9
95.04952	12.6
95.08585	20.3
98.78285	2.2
105.07014	87.5
107.04948	4.4
107.08578	89.3
109.06495	23.6
109.10159	4.9
111.04410	20.5
111.08094	4.6
113.05927	2.7
117.07001	14.3
119.04927	13.0
119.08566	50.5
121.06499	3.3
121.10129	28.2
123.08093	3.6
128.06183	9.2
129.07013	14.4
131.08577	26.5
133.06499	12.1
133.10101	22.2
135.08040	80.4
137.36565	2.7
142.07787	14.7
143.08562	19.7
144.09332	2.2
145.10136	19.1
147.08038	13.3
147.11713	5.6
149.09639	10.3
155.07036	16.6
156.09315	2.9
157.10068	25.7
159.11690	17.6
161.09605	12.3
169.10091	4.2
171.11678	3.6
173.08031	5.6
173.13272	12.9
174.10490	2.5
175.11134	16.8
175.14798	3.6
189.12712	2.7
189.16368	3.6
199.14807	15.2
217.10638	4.4
217.15845	75.6
217.99443	2.3
222.76921	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
52.37998	2.5
53.03933	3.0
55.05500	19.4
59.60348	2.5
67.05493	30.1
69.03422	15.0
69.07033	3.6
71.71809	2.7
79.05475	41.7
81.07033	47.2
83.04959	20.3
91.05471	44.4
93.07018	47.1
95.08585	25.1
97.06501	4.8
101.06011	5.0
105.07005	100.0
106.07165	2.9
107.08567	25.0
109.06497	12.9
109.10144	6.3
111.04438	21.1
114.05025	2.7
117.07010	16.6
119.08562	35.1
121.06506	7.0
121.10144	20.9
123.08054	12.7
129.06976	5.8
131.08542	30.9
133.10101	65.2
135.08044	6.5
135.11685	3.2
142.07777	18.5
143.08534	27.0
144.09320	6.2
145.10118	24.0
147.11697	5.2
149.09586	3.5
155.07014	14.4
156.09259	3.5
157.10077	36.2
159.11630	41.9
161.09651	12.6
171.11647	4.3
173.08052	11.9
173.13252	10.6
175.11249	4.1
175.14772	6.0
199.14780	35.6
217.10686	6.8
217.15863	64.8
217.17799	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	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
55.05505	21.5
67.05498	16.1
69.03400	3.0
69.07049	4.8
69.72002	2.1
71.04951	2.3
79.05476	20.7
80.39066	2.3
81.07027	29.7
83.04543	2.6
83.04961	23.8
83.08561	2.2
85.06522	3.1
89.05992	2.6
91.05460	31.5
93.07019	24.8
95.04961	4.2
95.08575	16.6
101.06008	8.8
105.07012	67.5
107.08547	25.5
109.06501	4.8
109.10136	5.5
111.04434	23.9
111.08044	3.5
115.05395	2.5
117.06994	21.8
119.08562	31.6
121.06491	4.8
121.10131	4.7
127.17885	2.2
128.06190	8.6
129.06978	14.8
130.07782	4.0
131.08543	49.6
133.06523	2.4
133.10109	21.0
135.08031	15.3
142.07739	13.8
143.08510	32.3
144.09305	11.6
145.10088	12.0
147.08051	3.7
147.11676	5.3
155.07024	17.5
155.08250	2.2
156.09302	4.5
157.10091	36.8
159.11655	100.0
161.09583	42.7
171.11613	4.7
173.08043	15.4
173.13242	13.5
174.88988	2.7
175.11183	3.9
189.16396	3.1
199.14771	29.6
217.10681	13.4
217.15837	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	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
52.52549	3.3
53.03930	4.3
55.01860	6.3
55.05516	32.7
55.93638	3.5
58.90238	3.8
62.01434	4.0
63.88097	3.5
65.03923	22.4
67.05492	33.6
69.07049	19.4
71.93002	3.6
72.75793	3.4
76.11546	3.8
79.05476	66.2
80.00291	3.8
81.07041	98.6
83.04964	31.3
87.57055	3.9
91.05463	85.7
93.03377	22.3
93.07040	71.1
95.04980	9.7
95.08588	24.2
101.05968	5.6
105.07015	100.0
107.08575	70.7
109.06517	26.2
109.10127	7.6
111.04450	7.1
111.08089	7.2
115.05450	6.2
117.07025	41.8
118.26036	4.0
119.04977	5.5
119.08566	66.6
121.10126	25.3
128.06255	5.6
129.06993	22.4
130.07719	3.8
131.08545	73.7
133.10091	33.6
135.08052	68.9
142.07764	25.1
143.08540	39.2
144.09341	17.4
145.10117	25.4
147.08092	6.9
147.11626	13.2
155.08533	5.8
157.10095	43.4
159.11665	99.4
161.09621	6.9
170.10963	5.6
171.11664	7.9
173.13243	24.1
199.14807	36.0
217.10519	4.5
217.15860	89.6
223.08705	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	217.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01859	3.8
55.05505	25.9
57.03430	0.8
59.05005	5.5
60.03699	0.7
65.00468	0.7
65.03904	0.8
67.05491	5.5
69.03407	5.6
69.07043	3.8
71.04977	12.5
79.05473	28.9
81.03394	7.3
81.07037	7.4
83.04964	37.1
83.08595	1.0
85.02895	1.1
87.04430	1.8
89.02351	1.1
89.06023	6.5
91.05462	15.5
91.75620	0.8
93.03394	0.9
93.07029	8.6
95.04945	3.3
95.08586	1.9
97.06505	4.4
99.04440	1.7
99.08073	1.0
101.06001	13.9
105.07007	15.1
107.04944	34.6
107.08574	16.5
109.06490	12.3
109.10115	1.2
111.04428	40.6
113.05973	4.9
113.14333	0.8
115.05449	1.2
117.07017	5.9
119.06112	0.9
119.08568	4.3
121.06483	100.0
121.10182	1.1
123.08054	3.1
125.09647	0.8
127.07542	11.5
129.05463	8.0
129.06958	3.1
131.08527	7.1
133.10144	3.4
135.08035	65.5
137.09624	1.1
142.07767	1.7
143.08539	4.7
145.10100	3.5
147.11739	2.8
147.12930	0.8
149.09605	21.3
153.09099	8.0
155.07013	37.1
156.09331	0.9
157.10123	5.3
159.11671	5.0
161.09528	1.3
167.10641	8.5
171.11638	1.2
172.36844	0.8
173.08052	26.4
173.13240	1.0
175.11111	1.0
178.18513	0.9
185.11801	1.4
189.16455	1.7
199.09525	1.3
199.14801	4.4
199.74226	0.8
210.41592	0.9
217.10692	21.5
217.15878	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	217.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38098	0.6
53.03945	0.9
55.01860	3.6
55.05507	23.7
57.03433	1.3
59.04987	6.7
59.62479	0.7
61.62347	0.7
63.02503	0.6
65.03906	0.9
67.05495	5.1
69.03404	4.5
69.07042	1.6
71.04978	10.6
79.05055	1.2
79.05481	28.8
81.03397	8.1
81.07040	9.2
83.04967	34.8
85.02904	0.9
85.06511	2.5
87.04450	3.4
89.02374	1.2
89.06020	5.6
91.04945	1.3
91.05468	18.2
93.03408	0.8
93.07029	11.3
95.04945	3.4
95.08575	4.2
97.06504	4.8
98.97549	1.3
99.04425	1.1
99.08057	0.7
101.05999	14.4
102.12009	0.6
105.07008	17.0
107.04948	32.5
107.08588	17.0
109.06499	10.6
111.04427	36.7
113.06000	5.6
115.05440	1.1
117.07007	5.0
119.08578	6.6
121.06488	100.0
123.07994	0.9
127.07541	12.8
128.06171	1.3
129.05438	5.9
129.06958	1.4
131.08553	6.4
133.10132	6.6
135.08040	57.3
142.07765	1.0
143.08553	4.2
145.10118	3.2
147.11717	1.6
149.09615	23.1
149.10728	1.5
153.09090	9.3
155.07021	35.2
155.08279	1.4
156.09320	1.3
157.10098	5.0
159.11639	5.5
161.09563	1.4
167.10677	8.5
171.11638	1.4
173.08060	30.6
173.13190	3.0
175.11168	1.4
185.11708	1.1
189.16339	1.2
199.09628	1.7
199.14783	3.3
217.10672	20.2
217.13933	0.8
217.15919	8.8
236.16824	0.8
238.88409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
54.19812	1.1
55.05508	14.4
65.03920	1.3
67.05497	8.0
69.03422	18.9
70.06585	1.9
71.04979	100.0
79.05481	14.6
81.07041	26.9
81.33851	1.0
83.04971	21.6
83.08626	1.8
85.06532	98.9
91.05464	23.1
93.07034	24.4
95.04959	6.9
95.08574	2.0
105.07028	19.1
107.08589	13.6
109.06520	11.4
109.10184	4.9
111.04436	48.6
117.07006	2.3
119.08559	82.5
121.06503	1.5
122.15012	1.2
123.11715	1.7
127.07535	46.3
129.72914	1.2
133.10104	23.8
135.08017	7.8
135.11714	2.7
137.09624	6.8
150.96881	2.6
151.11215	10.0
161.09587	9.2
164.77507	1.3
179.10654	17.1
182.05180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05500	1.5
63.24107	0.5
67.05487	1.0
69.03116	0.7
69.03419	9.8
69.07046	3.2
71.04957	0.7
79.05466	4.1
81.07036	16.6
83.04967	5.5
88.65249	0.6
89.44032	0.7
91.05469	8.1
93.07028	7.9
95.04927	0.6
95.08537	0.9
97.02869	18.7
97.06559	1.1
105.07015	25.3
107.08576	8.3
109.06511	0.9
109.10112	0.9
111.04427	100.0
117.07014	0.9
119.08554	3.4
121.06505	4.7
121.10116	1.3
121.97929	0.7
122.10354	0.8
123.11674	2.5
128.06181	4.0
131.08505	2.3
133.10112	27.1
135.11662	0.8
143.08521	4.9
146.07245	7.7
151.11221	1.1
161.09592	29.7
179.10648	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03934	2.9
55.01865	2.8
55.05503	22.1
57.07061	6.1
58.82005	1.2
59.04960	2.0
62.90559	1.3
65.03960	1.6
66.37828	1.5
67.05483	17.3
69.03419	34.7
69.07057	35.6
71.04978	28.6
72.05328	1.5
79.05478	33.0
80.05808	1.9
81.03400	6.4
81.07040	66.2
83.04960	8.4
83.08601	19.9
85.06537	44.8
88.07597	3.3
91.05473	18.1
92.05800	1.5
93.07019	51.2
95.01304	18.1
95.04924	5.3
95.08585	74.1
97.06512	7.2
97.10175	2.9
98.97566	7.2
99.04465	2.2
99.08063	17.6
105.07024	20.6
107.04942	7.6
107.08580	100.0
108.08914	6.6
109.06506	7.4
109.10150	17.7
110.79904	1.3
111.04440	10.8
111.08070	2.7
111.11689	1.7
115.05460	2.6
116.98610	3.4
117.07002	6.1
119.08572	12.7
121.10127	93.9
123.04386	1.5
123.11724	6.0
125.09602	91.0
126.09932	1.7
127.07544	7.2
129.06982	3.3
131.08559	7.4
133.10124	2.0
134.58511	1.4
135.08035	15.9
135.11655	24.8
137.13235	26.0
143.08621	1.6
149.09526	1.4
149.13216	10.9
163.07536	5.7
165.07074	1.9
167.06995	7.4
171.11684	1.7
177.16344	80.8
185.06953	1.6
195.11676	1.9
195.17358	20.4
213.12805	3.5
213.18428	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.00286	3.5
55.05502	14.5
56.96569	1.8
57.07057	3.2
67.05493	44.0
69.07050	30.8
71.04977	94.7
79.05464	10.1
81.07043	26.5
83.04945	1.8
83.08620	12.9
85.06529	1.9
88.07612	4.4
91.05454	4.0
93.07008	11.6
95.04953	3.4
95.08572	30.4
97.10151	2.8
104.95712	1.9
105.07053	2.6
107.08596	16.7
109.10138	95.9
109.70663	1.6
117.06937	1.7
121.10120	3.2
123.08048	14.9
125.09603	47.6
127.07544	3.0
135.11638	2.2
138.88091	1.7
140.97937	2.1
143.08521	2.6
149.13260	2.8
157.10136	2.3
177.12744	2.8
195.13766	100.0
213.12869	5.3
213.14853	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.52430	1.7
52.46150	1.9
53.03951	2.2
54.81664	1.8
55.01859	8.7
55.05507	55.9
56.96560	3.2
57.03427	3.2
57.07066	9.5
59.04982	2.1
65.03925	2.7
65.95882	2.2
67.05501	23.5
69.03408	9.4
69.07056	100.0
69.85110	1.9
71.04977	18.8
73.86630	2.2
79.05475	24.4
79.13056	1.8
81.03452	2.1
81.07044	58.1
83.04977	12.6
83.08607	14.9
85.02855	2.3
85.06523	26.7
88.07593	15.0
88.11814	1.8
89.15514	2.4
91.05461	18.1
93.07025	46.8
95.04948	8.1
95.08588	60.0
97.02863	9.8
97.06509	8.9
97.10145	12.7
98.97577	4.2
99.08080	20.4
105.07029	19.3
107.04934	12.4
107.08589	52.2
109.06522	5.2
109.10143	28.9
111.04438	3.5
111.08076	8.0
111.11702	4.5
113.09637	9.4
116.41487	2.1
116.98604	3.8
117.06997	4.6
119.08554	3.2
121.06495	8.3
121.10117	44.9
123.04400	2.3
123.08092	3.7
123.11705	3.7
123.72220	2.4
125.09596	9.8
129.06950	3.3
131.08574	16.0
133.10121	4.3
135.08064	9.6
135.11661	26.9
136.24086	2.1
137.13223	19.1
139.11165	5.1
143.08542	4.0
149.09607	3.9
149.13249	9.1
153.12698	4.1
156.09399	2.4
163.07527	2.4
165.06952	2.6
167.06990	13.9
167.10715	7.4
170.10886	3.0
177.09073	4.2
177.16393	37.2
195.10161	7.9
195.11777	2.7
195.17416	13.2
213.12709	8.5
213.18413	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	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol
Peak:m/z	Relative Intensity
53.03936	0.9
54.16994	0.4
54.82281	0.5
55.01860	6.7
55.05508	4.6
57.03439	0.7
57.07045	0.6
58.72407	0.4
67.05187	0.4
67.05480	4.2
69.03410	0.7
69.07059	7.0
71.04985	1.1
71.22584	0.4
75.30128	0.4
77.03905	0.5
79.05477	11.1
81.07035	6.4
83.04964	0.9
83.08603	8.5
88.07632	0.7
91.05462	8.5
91.46503	0.5
93.07027	100.0
94.66965	0.4
95.04947	2.4
95.08588	16.9
97.05890	0.6
97.06517	17.3
105.07040	1.1
107.08580	30.4
109.06501	1.9
109.10138	5.9
111.08062	13.8
117.06982	0.5
119.08561	0.8
121.06485	14.0
121.10144	3.5
123.11678	2.4
125.05943	0.5
131.08492	0.5
133.10115	0.6
134.84938	0.6
135.06458	0.5
135.08046	15.3
135.11671	18.4
137.73070	0.5
139.07524	88.3
149.13266	5.0
153.09087	22.0
153.12708	0.7
159.11668	2.0
167.14268	2.0
171.10208	0.7
173.18431	0.4
177.12756	3.2
195.13776	38.8
213.12808	0.7
220.52933	0.5
232.49774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol
Peak:m/z	Relative Intensity
55.01878	7.3
55.05501	7.1
57.03445	0.9
57.07050	1.2
58.38013	0.7
67.05499	6.0
69.03435	1.4
69.07052	9.0
71.04964	1.2
79.05476	11.0
81.06622	1.1
81.07028	8.5
83.08605	9.8
86.95097	0.8
88.07610	7.6
90.90359	7.6
91.05464	9.0
93.07024	97.3
95.04955	4.4
95.08595	18.3
97.06511	19.6
105.04521	0.8
105.07028	5.0
107.08583	38.6
109.06504	3.2
109.10123	10.9
111.08060	12.4
117.06984	1.3
121.06483	12.0
121.10137	5.3
128.06140	1.0
131.92969	1.9
133.10191	1.0
135.08057	15.7
135.11659	16.8
139.07520	100.0
143.08514	3.0
149.13257	7.3
149.94029	10.4
153.09088	21.6
153.12762	0.8
159.11696	3.3
167.14301	2.1
177.12624	2.9
183.08022	0.9
195.13773	43.2
213.12753	5.1
213.16174	3.5
214.24501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol
Peak:m/z	Relative Intensity
51.90220	0.9
53.03925	1.1
55.01859	7.3
55.05494	5.8
57.07074	1.3
65.29549	1.0
67.05481	7.2
69.07059	12.7
71.04983	1.5
74.84519	1.1
75.43478	1.0
76.34445	1.1
79.05460	10.2
81.07044	10.1
83.04961	1.2
83.08610	6.6
88.07589	5.7
90.90385	4.8
91.05455	7.8
93.07027	100.0
95.04939	2.9
95.08601	16.2
97.06503	17.7
105.06978	2.4
107.08579	33.3
109.10122	8.1
111.08056	13.6
112.58038	1.2
117.07040	1.3
121.06480	11.4
121.10106	6.7
123.11723	1.9
131.08632	1.2
133.10191	1.4
135.08055	18.7
135.11705	15.1
139.07529	93.4
148.97406	2.1
149.13229	5.0
149.94032	6.4
153.09111	21.5
159.11671	1.3
167.14287	1.9
170.10950	1.2
177.12688	1.6
182.45959	1.2
193.32033	1.3
195.13780	42.8
213.12706	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol
Peak:m/z	Relative Intensity
55.01870	6.6
55.05500	4.7
57.07089	0.6
59.04980	0.8
67.04617	0.6
67.05489	4.1
67.74880	0.7
69.03376	0.7
69.07059	9.3
71.04968	0.9
73.44508	0.6
79.05475	10.4
79.16795	0.6
81.07042	7.6
83.04967	1.4
83.08601	7.5
88.07603	1.0
88.99774	0.6
89.31360	0.7
90.90356	0.9
91.05460	7.8
93.07028	100.0
94.47633	0.6
95.04960	1.5
95.08594	15.6
97.06513	17.7
105.07012	1.6
107.08576	32.7
109.06531	1.3
109.10144	6.6
111.08071	14.4
121.06483	11.8
121.10110	4.4
123.11709	3.1
133.10197	0.8
135.08046	15.1
135.11670	16.9
139.07524	97.0
149.13281	6.3
149.94040	1.3
153.09094	24.1
153.12686	0.9
159.11674	1.3
163.04416	0.7
167.14305	2.7
174.53172	0.7
177.12717	4.4
195.13776	45.8
195.15562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol
Peak:m/z	Relative Intensity
51.21271	0.7
53.03921	1.0
54.13668	0.7
55.01871	7.4
55.05498	4.2
64.98180	0.7
67.05486	4.6
69.07061	7.6
71.04981	0.9
79.05473	10.8
81.07052	6.8
83.08615	11.1
86.45393	0.9
88.07625	1.9
90.90390	0.7
91.05462	8.7
93.07027	100.0
95.04955	3.7
95.08578	17.6
97.06512	16.3
105.07015	1.8
107.08578	30.7
109.06512	1.6
109.10146	7.2
111.08077	12.4
117.06960	1.3
121.06477	12.6
121.10104	4.6
123.11684	3.1
133.10077	1.2
135.08051	14.3
135.11676	16.2
139.07523	95.9
149.13252	5.5
149.94040	1.2
153.09082	22.2
153.12691	1.3
159.11598	1.2
162.09816	0.9
167.14262	1.3
177.12724	1.4
195.13783	47.0
195.15585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.85932	0.4
53.00285	0.5
53.03919	0.7
55.01854	0.6
55.05487	0.6
56.96542	1.0
60.08731	0.4
63.00015	0.6
65.03927	0.5
67.01804	0.6
67.05491	1.1
69.03426	1.0
76.56525	0.8
78.04681	2.9
79.05476	12.2
79.70765	0.5
81.07028	2.7
85.02901	0.8
88.07611	0.8
91.05460	6.3
93.07013	2.5
95.04951	4.4
95.08638	0.7
97.06464	0.8
98.97580	2.4
103.05462	10.1
105.07020	9.4
106.04173	2.0
107.04940	65.6
107.08598	1.2
109.06487	2.3
109.10141	0.6
115.05437	5.7
117.06998	1.2
119.08543	0.5
120.05713	2.4
121.06441	0.9
123.04409	9.0
124.05181	4.2
124.97021	0.5
125.06015	1.0
126.79885	0.4
127.03896	4.4
131.04892	2.5
131.08537	0.7
133.06479	1.0
135.08035	14.0
137.05963	2.6
139.03815	0.8
140.04617	0.6
143.08484	0.7
145.07588	0.9
147.04379	0.6
151.03902	2.2
152.04662	3.3
153.01810	45.6
154.06245	2.3
161.05898	0.6
163.07501	19.5
165.05553	0.8
167.07008	100.0
180.07755	3.0
195.06499	0.7
195.10150	12.8
213.11131	3.4
216.66278	0.5
218.95067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90438	1.0
51.81031	1.2
53.03930	6.1
54.81794	1.4
55.01860	14.9
55.05507	15.6
56.96550	2.7
57.03433	11.4
57.41059	1.0
58.41773	1.2
65.03916	2.8
67.05495	19.8
67.35481	1.2
69.03419	13.5
69.07053	3.1
70.71316	1.5
71.04975	6.1
71.84151	1.1
77.03909	1.3
79.05470	84.5
81.03390	9.2
81.07039	63.1
81.07532	1.5
83.04959	7.6
83.08586	1.5
85.02895	11.9
85.06525	3.1
88.07614	8.2
91.05460	98.0
92.09329	1.3
93.07021	85.0
95.04944	22.8
95.08584	5.5
96.02099	3.1
96.77817	1.2
97.02869	10.3
97.06482	5.1
98.97534	2.3
99.04442	2.1
103.05450	5.4
105.04507	2.0
105.07014	100.0
107.04943	19.0
107.08576	58.3
109.02858	2.2
109.06484	15.8
109.10153	2.1
111.04421	5.3
111.08100	2.9
115.03900	1.7
115.05438	11.4
116.06219	17.6
117.06998	14.1
119.04882	1.9
119.08578	13.0
121.06476	7.8
121.10116	21.0
123.04405	2.2
123.08028	5.4
125.09597	1.8
127.03903	13.2
128.06203	1.5
129.05453	2.8
129.06969	12.3
130.96323	2.2
131.08545	74.2
133.06456	2.9
133.10088	11.9
135.04417	2.7
135.08040	22.1
135.80296	1.2
137.09564	1.5
141.06877	1.9
147.08015	3.2
148.97366	7.2
149.05988	2.5
149.09592	35.7
149.10698	2.0
159.08003	15.9
167.06993	15.6
177.09030	18.4
184.40132	1.3
189.97662	1.2
195.10176	6.4
217.20578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86125	1.7
53.03931	9.7
55.01865	17.1
55.05503	19.8
56.96549	14.3
57.03424	9.8
57.07047	9.2
58.27384	1.4
59.04998	2.2
65.03913	2.9
67.05502	15.9
69.03413	19.1
69.07053	10.1
70.43994	1.5
71.04966	8.3
79.05473	96.3
81.03397	8.2
81.07037	75.7
83.04958	8.1
83.08611	2.3
85.02898	14.9
85.06519	4.3
88.07592	9.2
91.05460	96.0
91.06004	3.8
93.07021	75.0
95.04937	27.8
95.08582	8.8
96.02086	2.3
97.02869	11.7
97.06495	7.8
98.97566	13.1
100.41736	1.7
103.05460	9.7
105.07012	100.0
107.04939	45.2
107.08575	64.1
109.02893	4.2
109.06513	12.4
109.10215	2.0
111.04436	10.5
111.08061	2.3
115.03889	3.5
115.05425	10.2
116.06200	16.2
116.98618	8.9
117.07008	21.7
119.04929	2.7
119.08551	14.2
121.06449	16.6
121.10101	22.8
123.04433	7.8
123.08041	11.7
125.05942	3.4
127.03893	12.4
129.05463	3.9
129.06950	15.8
130.96269	2.4
131.08540	82.6
133.06474	4.2
133.10094	9.5
135.04413	2.3
135.08006	24.8
139.03876	2.0
143.00038	1.9
147.08055	3.8
148.97333	8.4
149.05957	3.9
149.09590	34.4
150.65622	1.7
153.05553	1.7
155.23430	2.1
159.08047	15.5
163.07491	4.5
167.07010	44.4
177.00690	2.3
177.04308	3.0
177.09030	16.0
184.83936	2.0
195.10146	10.0
214.22589	2.0
217.52261	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.00319	2.5
53.03945	12.0
54.24078	2.3
55.01867	21.0
55.05505	26.0
56.96562	17.8
57.03420	12.5
57.07072	60.2
61.02906	2.8
61.35287	3.2
64.17216	2.8
65.03951	3.9
67.05492	26.2
69.03419	19.7
69.07052	49.8
71.04981	17.9
72.93785	3.6
73.02892	5.2
79.05473	75.5
81.03403	48.0
81.07039	76.6
83.01303	3.5
83.04967	15.0
83.08582	4.7
84.76728	4.0
85.02891	35.0
85.06529	6.6
85.71764	2.7
87.04477	3.4
88.07593	23.9
88.95323	4.7
90.03288	3.4
91.05464	100.0
93.07027	73.5
95.04947	78.2
95.08592	19.0
97.02877	26.2
97.06525	34.9
98.97592	23.6
99.04424	26.6
101.02356	6.0
103.03930	7.6
103.05437	3.3
105.07011	41.3
107.04951	22.6
107.08580	62.0
109.02874	3.6
109.06521	18.6
109.10132	7.3
111.04418	10.9
111.08080	19.2
115.05445	5.3
116.06242	12.6
116.98602	14.3
117.07016	34.2
119.04935	4.4
119.08552	35.7
121.06471	7.6
121.10101	24.6
123.04420	4.9
123.08063	14.6
125.06004	3.9
125.09603	6.1
127.03894	13.8
129.07016	7.5
130.96324	14.6
131.08543	59.5
133.06474	6.3
133.10109	4.3
135.08044	41.2
137.05940	4.0
138.40121	3.5
139.03882	3.9
141.05457	16.6
143.08553	4.2
147.08022	6.2
148.97395	33.7
149.09610	37.6
153.05394	4.2
153.09111	5.3
159.08023	7.6
165.06857	3.2
165.09114	11.6
177.09061	23.9
189.97652	3.4
195.10147	25.7
213.06638	6.4
213.11192	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	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03934	2.0
54.03941	0.7
55.01864	1.0
60.43016	0.8
61.02915	8.4
61.08101	0.7
61.46664	0.8
62.22919	0.7
62.92985	0.8
65.03941	8.7
66.58713	0.8
67.05497	2.0
71.04974	1.0
71.76283	0.9
79.05468	22.4
81.03417	1.3
81.07027	3.6
88.07607	2.3
91.05453	6.1
92.09282	1.7
93.03400	8.5
93.06987	0.9
95.04935	8.3
96.42524	0.9
105.03357	1.8
105.04463	1.1
105.25398	1.1
107.04945	32.0
108.02042	1.6
109.02850	2.0
109.06474	1.6
110.03648	29.4
111.04427	17.7
117.03342	1.6
121.06487	15.1
122.03648	8.3
124.05109	0.9
125.05969	42.7
126.63635	0.9
130.96269	1.5
133.02835	11.5
134.03572	1.3
135.04401	25.9
137.05949	6.6
141.05435	6.5
148.97321	5.3
149.05983	16.8
150.03105	14.3
151.03896	100.0
151.05017	13.4
153.05446	12.6
154.66830	0.9
162.03082	1.8
163.03909	8.5
165.05453	31.2
167.06998	11.7
167.08281	1.3
177.05437	17.0
195.06516	8.0
213.07619	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	212.0553
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
53.03933	2.1
54.16033	0.4
55.01872	0.7
55.05524	1.7
56.96545	3.1
57.03417	1.1
59.04947	0.5
60.04499	0.5
61.02913	0.9
65.03922	8.8
67.05484	1.0
69.03407	3.3
71.04987	3.5
72.93746	0.7
78.03412	0.6
79.05464	1.9
80.08614	0.5
81.02936	1.1
81.03399	29.2
81.07030	1.2
82.06571	1.0
83.04952	0.9
84.08127	0.6
85.02898	7.6
91.03920	0.8
91.05441	1.1
92.04983	9.4
92.05793	0.8
92.55269	0.4
93.07032	1.0
94.07347	0.5
95.04942	0.9
96.08122	1.1
97.02855	1.2
98.97547	0.5
99.04417	2.3
106.02899	1.8
106.06551	0.8
107.04938	0.7
109.02860	27.0
109.23425	0.5
113.05967	0.6
119.04928	0.7
120.04391	0.5
122.06001	2.2
124.07608	3.5
127.03882	5.9
131.97443	0.8
133.10046	0.6
137.05949	7.3
138.05392	0.9
138.06297	4.1
145.04984	1.2
148.03831	0.7
148.04916	0.6
148.07526	0.6
148.97327	0.6
150.05463	0.8
151.03909	0.7
152.07050	0.8
166.04962	100.0
170.47977	0.5
176.03322	3.8
194.04456	71.1
195.08611	3.2
212.05486	2.3
212.16408	0.9
212.68916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03928	1.6
55.01860	2.0
55.05497	1.4
56.01696	0.7
56.96564	2.2
57.03431	1.2
60.43381	0.7
61.02914	10.3
65.03934	8.8
67.05492	4.4
69.03421	3.5
69.07063	10.9
70.94241	1.7
71.01347	0.7
71.04978	1.2
73.39378	0.9
77.53934	0.8
79.05482	26.4
81.03400	4.7
81.07040	4.1
82.03740	1.0
83.08589	1.0
85.02898	5.8
85.68210	0.7
88.07634	7.3
88.35632	0.8
88.95300	1.2
89.03916	1.0
91.05453	12.3
92.64358	1.1
93.03376	7.0
93.07041	6.3
95.04971	9.9
97.06519	4.7
98.97588	3.3
99.04470	3.3
103.03955	1.3
105.03407	1.6
105.07000	1.7
105.95873	0.8
107.04290	1.6
107.04950	31.5
107.08583	5.7
108.02079	4.1
109.02876	5.1
109.06506	4.2
110.03689	24.4
111.04435	20.4
111.08067	1.3
116.98607	1.1
117.03381	1.3
119.08579	0.9
121.06507	14.6
122.03634	7.4
125.05980	44.5
127.03907	1.4
130.96301	4.7
131.08566	1.7
133.02829	14.9
134.99590	1.5
135.04411	25.0
135.08051	4.3
137.05945	5.5
141.05464	7.2
147.04419	1.2
147.96541	1.0
148.97333	12.5
149.05972	16.0
149.09595	4.3
150.03116	12.9
151.03905	100.0
151.05023	13.7
153.05478	11.2
153.08983	0.9
159.08098	1.3
162.03137	2.1
163.03877	5.2
165.05447	34.0
167.07030	8.9
177.05437	16.3
177.09094	2.1
189.85002	0.9
189.97552	1.4
195.06519	10.3
195.10162	1.1
197.43858	0.9
213.07605	8.0
218.02806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	n-Propyl gallate
Peak:m/z	Relative Intensity
55.01859	0.2
55.05498	0.2
56.96554	0.2
65.03896	0.1
67.01852	1.9
67.05492	0.2
68.99792	1.0
69.03412	1.9
69.07020	0.1
70.90631	0.1
73.03838	0.1
79.05487	0.7
81.03392	0.3
81.07024	0.1
83.01324	0.5
83.04973	0.1
87.04454	0.3
88.07601	0.2
90.27702	0.1
91.05465	3.7
92.05827	0.1
93.06995	0.2
95.04932	0.7
97.02851	1.1
97.06511	0.1
98.97575	0.9
105.06995	0.7
107.04945	1.7
107.08575	0.2
109.06465	0.2
109.10030	0.1
111.00809	0.2
111.04472	0.1
112.75917	0.1
116.98591	0.2
117.06968	0.1
119.01890	0.2
119.04939	0.2
119.44659	0.1
123.04411	1.0
123.08012	0.1
125.02338	0.2
125.05917	0.1
127.03886	7.3
134.99712	0.1
135.08046	0.1
136.49097	0.1
137.05931	0.1
145.03447	0.3
148.97226	0.2
149.09586	0.2
151.03862	0.9
153.01807	100.0
154.02129	0.5
162.25505	0.1
163.07529	0.3
167.06969	0.2
169.04941	0.6
171.02827	0.8
185.02986	0.6
195.06480	2.4
195.10158	0.7
203.04007	0.7
213.07613	0.5
227.10678	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.66730	1.8
53.03942	3.1
53.19101	1.9
55.01871	3.2
55.05510	24.9
56.96563	33.5
57.03440	2.3
57.07064	5.4
59.04997	2.6
59.76749	1.8
67.05496	48.1
67.71333	2.0
69.03414	15.3
69.07070	22.5
71.04998	16.9
79.05481	28.6
81.03397	4.2
81.07041	75.1
83.04969	22.8
83.08600	10.3
85.02890	3.2
85.06524	13.0
91.05473	30.0
93.07026	41.6
95.04961	18.3
95.08591	47.8
97.06544	5.1
97.10157	2.4
97.99158	3.3
99.04412	4.6
99.08104	3.1
105.07015	42.2
107.04944	3.1
107.08582	42.6
109.06512	25.3
109.10150	100.0
111.08088	3.2
119.08559	36.9
121.06422	2.6
121.10120	18.0
123.08030	20.3
123.11694	15.1
129.06976	2.8
131.08557	3.8
131.21700	2.3
133.10114	26.3
134.10411	2.8
135.05661	2.5
135.08028	4.6
135.11670	48.3
137.05981	15.3
137.09587	12.1
147.11690	14.6
149.13254	4.0
151.11171	13.6
151.14809	11.2
156.08017	3.3
165.12759	4.6
167.06982	2.9
175.11189	3.9
175.14825	15.8
179.07062	3.1
193.12206	11.6
193.15871	15.1
211.13275	3.2
211.15277	6.8
211.16980	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03918	2.6
55.01865	2.7
55.05503	23.8
56.96562	41.8
57.03419	2.0
57.07066	3.5
58.11296	1.7
58.76403	1.9
59.04990	4.1
63.57530	1.7
67.05493	29.8
69.03439	2.7
69.07059	38.7
69.42223	1.7
71.04980	52.0
78.40191	1.8
79.05478	31.7
81.03420	3.7
81.07040	75.9
81.48273	2.1
83.04950	4.0
83.08607	8.0
84.96024	3.5
85.02889	7.9
85.06516	17.8
87.04444	7.9
88.69917	1.9
89.82125	1.8
91.05467	29.0
92.63550	2.0
93.02785	3.0
93.07028	58.4
95.04952	17.5
95.08591	100.0
97.06504	10.7
97.99179	3.9
99.04431	4.0
99.08049	8.4
103.05447	2.4
105.04494	2.5
105.07021	63.2
107.02550	15.3
107.08592	33.4
109.06499	10.5
109.10130	35.4
111.08062	9.9
113.06009	2.5
114.03350	22.4
116.00223	2.5
116.03086	36.7
117.07069	2.1
118.53324	10.0
119.04948	3.4
119.08560	57.5
121.06513	3.7
121.10156	14.8
123.03833	41.0
123.08027	15.0
123.11682	12.5
123.53973	3.7
125.54093	11.7
127.53845	10.2
128.04915	3.9
129.06982	2.4
131.08594	4.8
132.04324	4.1
133.10115	26.2
134.54651	12.7
135.08017	4.4
135.11664	37.2
137.06009	28.4
137.09593	9.6
137.13303	2.4
145.10158	4.0
147.07477	2.5
147.11684	8.9
149.09564	2.4
151.07513	2.9
151.11176	3.2
151.14828	3.4
153.12709	4.2
156.07997	10.6
157.10165	2.5
161.13214	33.5
165.12703	3.4
167.58745	3.4
175.11108	2.5
176.59312	21.0
176.78230	2.1
179.14279	42.2
188.10039	2.5
193.12206	4.4
193.15813	2.4
211.14932	4.2
211.16901	88.5
225.07986	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	211.1328
Annotation	Crocinervolide
Peak:m/z	Relative Intensity
53.00302	0.9
53.03935	3.6
55.01863	6.4
55.05504	42.1
57.03422	5.2
57.07065	15.0
59.04991	10.0
63.06397	0.8
67.05492	32.2
69.03414	9.0
69.07047	7.6
71.04971	19.1
79.05467	20.3
81.03409	1.6
81.07041	36.3
83.04967	18.0
83.08607	3.7
85.02904	1.5
85.06527	100.0
91.05455	18.8
93.07021	24.1
95.04942	10.5
95.08581	14.5
97.02877	1.5
97.06501	17.6
99.04434	52.6
99.08061	2.0
101.05994	28.0
105.07010	52.0
107.08562	16.0
109.06504	11.5
109.10146	7.4
111.08066	3.4
113.05988	35.1
113.06751	1.5
115.23260	0.9
116.48260	0.9
117.07004	4.3
119.04916	1.7
119.08557	29.7
121.06473	4.1
121.10101	8.1
123.04395	0.9
123.08038	4.6
123.11694	4.0
125.05988	12.2
125.09612	4.8
129.05481	2.1
129.06969	3.5
131.07022	1.5
131.08556	6.4
133.06541	1.8
133.10106	55.8
135.08061	1.3
135.11653	3.3
137.05951	3.9
137.09587	6.4
142.07773	9.3
145.10036	1.1
147.08000	3.5
147.11650	16.2
149.09549	3.2
151.07571	2.1
151.11153	9.2
157.10069	7.8
163.14838	1.3
165.09106	1.4
165.12709	6.0
167.06960	1.1
175.11154	21.8
193.12193	19.0
211.13214	9.9
219.90543	1.0
220.10829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.12971	0.7
52.71006	0.7
53.36135	0.8
53.74314	0.8
55.01894	0.9
55.05508	18.0
55.32667	0.8
57.07069	6.1
59.04985	1.3
64.33765	1.0
67.05494	40.7
67.05850	1.9
69.03409	16.1
69.06705	1.4
69.07056	16.6
71.04965	4.1
79.05468	7.3
81.07043	34.3
83.04971	13.9
83.08609	10.1
85.06516	5.5
91.05465	4.6
93.07024	14.2
94.71693	0.9
95.04961	4.4
95.08591	36.1
97.06528	1.4
97.10150	1.0
99.08083	2.4
104.87988	1.0
105.06989	9.8
107.08587	28.4
109.06514	15.5
109.10146	100.0
111.08082	3.8
113.09579	1.2
117.06929	1.0
117.09205	1.0
119.08572	18.7
121.10117	10.2
123.08052	14.9
123.10870	0.9
123.11644	8.2
133.10110	14.8
135.11674	50.4
135.12682	1.9
137.09605	13.7
139.11203	1.1
147.11707	1.1
148.35107	1.0
149.13274	4.8
151.11145	12.7
151.14771	12.3
153.12709	2.1
165.16389	1.4
175.14809	16.9
193.15817	16.1
211.16986	1.5
213.28589	1.1
228.01143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	2.5
55.01861	2.9
55.05270	1.5
55.05507	32.6
57.07045	2.7
59.04978	6.0
59.78909	1.2
65.31544	1.3
67.05480	11.6
69.03410	1.5
69.07037	8.2
70.94963	1.1
71.04965	15.3
71.66920	1.2
79.05472	18.2
81.07038	18.2
83.04952	9.2
85.02901	1.7
85.06530	24.3
89.13293	1.3
91.05465	43.2
93.07015	29.6
95.04939	7.0
95.08559	7.4
97.06497	6.3
99.04440	28.8
100.84422	1.2
101.06023	9.7
103.05467	1.7
105.07013	100.0
107.08567	7.1
109.06511	8.9
113.05966	6.6
115.05373	2.1
117.06963	2.7
118.07784	1.4
119.04939	1.7
119.08553	51.8
121.06428	2.2
121.10105	8.8
123.08032	2.3
123.11671	2.2
129.06987	2.9
131.08549	12.5
133.10106	91.1
135.07967	1.4
137.05969	3.4
141.07132	1.4
142.07744	8.1
145.10048	2.4
147.08029	3.2
147.11668	22.2
151.07500	1.6
151.11140	1.4
157.10088	8.2
165.12714	29.3
168.55295	1.5
171.92015	1.4
175.11177	15.9
179.07022	2.0
193.12218	11.3
211.13298	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03927	3.0
55.01857	2.5
55.05507	15.7
56.96559	4.9
57.00609	0.6
57.03429	2.7
59.04987	1.3
65.03946	1.1
67.05141	1.1
67.05498	30.7
69.03415	1.5
69.07054	4.5
71.04981	15.8
72.38627	0.6
76.20275	0.6
79.05476	23.9
80.06252	0.7
81.03410	3.3
81.07043	80.1
83.04974	9.1
85.02906	3.7
85.06538	11.5
91.05463	17.8
92.08915	0.7
93.07027	38.7
95.04942	15.0
95.08590	100.0
97.06521	7.9
97.59943	0.6
99.04438	9.7
99.08081	9.5
101.06018	3.3
102.70766	0.6
105.07021	34.8
106.07352	0.9
107.04963	1.6
107.08587	21.1
109.06509	6.5
109.10159	4.4
111.08112	0.9
113.06026	1.6
117.07003	5.9
119.04901	0.8
119.08580	11.2
121.06500	1.0
121.10134	3.4
121.24892	0.8
123.08054	35.9
123.11666	2.6
125.05917	0.8
127.07478	1.1
129.07010	3.9
131.08571	5.6
131.27122	0.7
132.09375	0.7
133.06497	1.3
133.09178	1.2
133.10120	21.5
134.10530	1.1
135.08041	18.8
135.11670	0.8
137.05972	2.9
137.09621	1.4
141.09085	21.7
142.07739	4.0
147.08060	1.5
147.11673	7.9
151.11176	7.6
157.10094	4.1
165.12833	1.0
167.07043	1.1
170.05600	0.7
175.11183	6.8
193.12206	9.0
211.13130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.00304	0.8
53.03927	0.9
55.01870	2.3
55.05508	23.1
56.26775	0.9
56.96566	7.4
57.03424	1.1
57.07074	8.7
59.04993	8.5
59.74196	0.9
65.03915	1.6
66.96700	0.9
67.05490	21.4
69.03419	4.0
69.07066	14.0
71.04982	21.0
73.59132	0.8
76.32048	0.9
79.05476	19.0
81.03388	1.5
81.07040	98.0
81.43715	1.1
83.04964	18.0
83.08617	2.2
85.06535	8.8
91.05463	31.3
91.06014	1.9
93.07031	28.1
95.04956	10.1
95.08587	88.3
95.16553	1.1
97.06521	5.6
99.04443	26.3
101.06001	1.8
105.07017	62.6
107.04964	1.5
107.08572	27.3
109.06499	31.3
109.10125	7.0
113.05991	3.9
115.05441	1.5
117.07014	1.8
119.04931	7.8
119.08568	32.2
119.09391	1.6
121.06506	1.9
121.10124	8.4
122.03622	4.8
123.08045	11.5
123.11680	8.5
125.05979	1.4
125.09578	1.5
129.06998	1.4
131.08548	7.2
132.64410	1.0
133.06476	1.6
133.10107	51.5
135.08018	1.3
135.11693	6.8
137.05959	96.5
137.09581	2.0
137.12187	1.2
137.13234	35.4
141.09099	1.6
142.07744	5.5
147.04414	5.5
147.11676	22.2
149.09691	1.0
151.07513	7.3
151.11163	5.3
153.05475	1.4
157.10115	5.6
165.12730	51.1
175.11197	7.1
175.14812	2.1
179.07011	1.9
190.72401	1.1
193.12213	100.0
211.09717	8.6
211.13278	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	1.1
55.01860	3.7
55.05506	33.3
56.73464	0.5
56.96551	2.6
57.03432	1.5
57.07059	3.9
59.04998	5.3
65.03907	0.8
67.05501	11.6
69.03419	1.3
69.07063	5.4
69.07383	0.7
71.04617	0.9
71.04980	17.1
79.05474	18.9
81.06599	1.1
81.07041	22.9
83.04971	10.3
85.02877	2.5
85.06065	1.1
85.06533	19.0
91.05463	40.0
92.09264	1.4
93.07027	30.5
95.04947	6.3
95.08584	8.6
97.06503	4.7
99.04436	30.3
101.06001	6.3
103.05465	1.0
105.03389	0.6
105.07014	100.0
105.82226	0.6
107.08572	9.1
109.06498	5.9
109.10120	2.4
111.08021	1.0
113.05990	6.7
115.05447	1.5
117.06986	3.1
118.07784	1.1
119.04912	2.9
119.08566	47.5
121.06451	1.4
121.10104	6.1
123.08050	2.8
123.11680	1.2
125.06003	1.1
129.05487	0.7
129.06993	5.5
131.08553	11.6
133.06458	3.0
133.10109	97.9
135.08070	1.4
135.11636	0.9
137.05951	2.8
137.09578	0.6
141.06956	0.8
142.07770	14.9
142.54907	0.6
145.10124	1.5
147.08008	2.4
147.11670	20.6
149.09596	1.4
151.11162	3.6
157.10132	10.3
165.12737	17.8
167.07036	0.6
175.11154	14.1
193.12233	8.2
211.13220	1.1
232.98036	0.7
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	Ieodomycin B
Peak:m/z	Relative Intensity
53.86584	1.5
55.05500	22.3
56.96550	11.1
57.03423	1.7
57.07062	3.5
59.05001	1.6
61.02909	2.1
67.05491	13.1
69.03396	1.7
69.07052	4.2
71.04977	33.5
79.05478	16.9
81.03415	2.0
81.07033	52.1
83.04964	7.3
83.08587	20.4
91.05462	24.0
93.07025	42.8
95.04948	24.8
95.08574	14.5
99.04430	33.6
101.06007	2.3
105.07009	45.2
107.08579	100.0
109.06484	15.3
109.10136	25.0
111.08077	17.0
113.05993	30.9
119.08541	20.0
119.78224	1.6
121.10130	12.8
123.08020	10.3
123.11680	59.2
125.09601	4.0
131.08562	4.0
133.09186	3.1
133.10120	54.1
135.08067	3.5
135.11673	11.0
137.05959	11.0
141.09126	2.6
142.07776	3.3
147.11661	9.7
149.09610	3.8
151.11165	87.5
151.13057	2.3
157.10162	3.0
165.12721	8.7
169.12189	2.4
175.11191	17.1
175.14729	3.0
193.12286	12.9
211.13234	32.8
215.92149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.86839	1.9
53.03924	3.5
55.01861	4.8
55.05508	30.1
56.96559	29.3
57.03421	3.7
57.07059	12.2
57.68423	2.6
59.04984	9.4
65.03928	3.1
67.05493	39.6
69.03413	14.5
69.07040	21.0
71.04979	25.2
75.31739	2.0
76.56121	2.2
77.41882	2.3
79.05482	36.4
81.03383	5.4
81.06592	4.0
81.07042	72.1
83.04959	21.2
83.08582	5.3
85.06516	18.7
91.05468	62.6
92.08797	2.9
93.07026	57.7
95.04958	19.5
95.08603	34.8
95.38570	2.4
97.06528	16.0
99.04445	32.1
99.13444	2.4
101.06017	3.7
103.05447	5.0
105.07015	100.0
107.04990	4.1
107.08582	90.2
109.02905	2.9
109.06490	28.5
109.10136	58.9
110.06824	3.4
110.10500	3.0
111.08073	3.7
113.05987	14.1
116.00127	2.7
117.06988	12.3
119.04933	2.6
119.08562	66.2
121.06508	5.1
121.10096	19.2
123.08042	12.8
123.11678	14.6
125.05923	3.5
128.06224	3.2
129.06995	5.5
131.08519	13.6
133.06494	2.8
133.10110	54.4
135.08018	9.5
135.11685	13.5
137.05980	28.2
137.09564	17.4
142.07774	13.2
143.08539	3.4
145.10141	5.9
147.08017	5.4
147.11671	19.7
148.57986	2.9
149.09593	4.9
151.07524	19.3
151.11194	40.9
152.11536	5.4
153.09129	2.5
153.11703	5.5
157.10115	11.4
165.12740	10.8
175.11154	16.1
175.14803	4.1
179.71854	2.4
193.12183	22.9
211.13275	34.3
211.15109	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.12865	1.7
55.01870	4.0
55.05510	45.1
57.03428	7.1
57.07073	17.5
59.04993	9.8
63.62580	1.6
67.05495	46.3
69.03411	8.4
69.07059	8.2
71.04986	16.0
79.05479	28.7
81.03410	1.7
81.07040	37.8
83.04967	20.2
83.08624	2.7
85.06533	100.0
91.05466	27.2
93.07032	21.4
95.04939	19.1
95.08575	21.8
96.55226	1.9
97.06506	16.5
99.04440	50.1
99.08115	2.0
101.05396	2.6
101.05999	29.3
103.05471	2.4
105.07017	57.4
107.04983	1.8
107.08583	13.6
109.06485	14.1
109.10165	3.2
111.08110	4.7
113.05995	34.7
114.78995	2.0
117.06912	1.9
119.04942	7.4
119.08559	32.8
121.06532	2.4
121.10140	4.0
123.04424	34.3
123.08059	7.8
123.11698	7.6
125.05970	11.7
131.07047	2.1
131.08582	10.8
133.06477	10.0
133.10110	55.5
135.11674	2.0
137.05954	8.4
137.09583	2.1
139.82562	2.1
142.07790	11.8
147.08058	3.9
147.11668	19.2
149.09627	4.3
151.03915	2.4
151.07442	13.3
151.11191	11.5
157.10135	8.8
165.09126	3.0
165.12744	6.8
167.07016	3.9
175.11171	20.2
179.07021	31.7
193.08591	2.3
193.12219	19.3
211.09807	2.7
211.13280	4.4
220.25093	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.44011	1.2
53.03931	2.1
53.41505	0.9
55.01862	2.3
55.05506	31.5
57.03428	1.4
57.07052	2.2
59.04981	7.9
67.05489	15.2
69.07063	14.4
70.32465	1.2
71.04976	15.6
79.05481	18.8
79.66062	1.1
81.03415	1.3
81.07045	24.4
83.04963	10.8
85.02911	2.5
85.06522	31.2
86.83951	1.1
91.05466	39.4
93.07032	30.0
94.11026	1.3
95.04939	7.8
95.08579	5.7
96.29240	1.1
97.06515	6.9
98.47507	1.2
99.04433	33.4
101.05986	8.4
105.07012	98.2
107.04934	1.5
107.08570	6.2
109.06507	11.3
113.05974	9.9
115.05386	1.3
117.07011	3.1
119.04935	1.9
119.08559	55.0
121.06436	1.2
121.10104	7.6
123.04365	1.8
123.08042	3.1
129.06969	2.6
131.08543	12.1
133.06444	2.9
133.10106	100.0
137.05975	2.9
142.07764	12.8
147.07983	2.7
147.11678	24.2
151.07573	1.6
157.10091	10.5
165.12718	28.0
175.11189	16.2
179.06982	2.1
193.12170	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03953	1.2
55.01858	7.8
55.05265	2.1
55.05506	38.2
55.88358	1.0
56.96565	13.6
57.03424	6.1
57.07071	14.9
57.38784	1.3
59.04993	6.7
67.05492	33.5
68.21050	1.3
69.03403	3.9
69.07054	6.0
71.04974	17.1
79.05478	17.7
81.07035	27.5
83.04967	14.9
83.08598	1.6
85.06532	100.0
91.05458	20.2
93.07034	17.5
95.04948	9.7
95.08587	15.8
97.06504	6.3
97.99179	1.8
99.04434	42.8
101.06013	16.6
105.07018	47.0
107.08587	7.7
109.06533	5.2
109.10149	2.8
111.08127	1.5
113.05993	28.2
117.07021	1.6
119.04938	2.7
119.06253	1.4
119.08582	20.5
121.10120	5.2
123.08038	4.7
123.11729	2.6
125.05984	5.0
129.05446	2.3
129.07002	1.8
131.07063	1.4
131.08545	5.1
133.10112	47.7
135.07996	2.6
137.05014	1.4
137.05939	10.6
142.07759	8.7
145.10043	1.4
147.11658	14.3
148.56104	1.8
149.09535	1.6
151.07570	5.8
151.11192	7.1
157.10126	9.4
165.12704	3.0
175.11142	18.5
189.80975	1.5
193.12230	15.1
210.65395	1.4
211.13257	2.2
233.45958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Crocinervolide
Peak:m/z	Relative Intensity
52.40194	1.4
53.03940	1.5
54.83903	1.3
55.01848	8.5
55.05270	2.0
55.05508	42.0
55.10344	1.4
56.96558	14.9
57.03419	7.2
57.07072	19.5
57.08902	1.4
58.88351	1.4
59.04977	9.3
67.05490	30.2
69.03413	3.2
69.07047	7.9
71.04962	14.0
79.05476	18.1
81.07043	34.1
83.04973	16.9
83.08583	1.9
84.96003	3.9
85.06532	100.0
91.05456	18.3
93.07027	17.9
95.04932	9.1
95.08575	10.9
97.06518	9.6
99.04430	53.4
99.08125	1.6
101.06011	22.1
102.13926	2.0
102.95893	1.7
105.07011	46.7
107.08591	9.2
108.33988	1.6
109.06501	8.7
109.10148	2.8
113.05991	32.4
117.07029	2.1
119.04949	2.5
119.08563	28.4
121.10114	2.0
123.08030	2.4
124.70052	1.7
125.05959	9.1
129.05441	2.3
131.08527	7.6
133.10114	47.1
135.03761	1.7
135.08041	3.1
137.05942	24.5
137.09572	2.0
142.07784	8.4
147.11685	16.0
149.09528	2.1
151.11195	7.2
157.10133	8.3
165.12752	3.8
167.06909	1.8
171.11461	2.1
175.11162	17.4
193.12210	17.7
211.13202	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07720	0.3
55.01843	0.7
55.05500	0.6
56.96550	2.2
57.03437	0.4
59.04967	0.5
59.73330	0.3
61.03174	0.3
65.03908	0.4
67.05482	1.3
69.03408	0.6
69.07050	2.1
71.04968	1.3
79.05473	3.0
81.07039	4.4
83.04967	0.6
85.02856	0.7
85.37160	0.3
91.05466	7.3
93.07021	6.5
94.04146	1.5
95.04943	2.2
95.08596	3.5
97.06500	4.2
99.04429	0.5
103.05431	0.6
105.07018	6.5
107.04925	1.5
107.08582	3.4
109.06515	3.0
109.10094	2.9
115.05481	0.4
119.04921	5.7
119.08572	2.3
121.06503	1.6
122.03629	6.3
123.08043	0.7
123.11710	0.5
133.06465	2.1
133.10132	2.1
135.11656	4.0
137.05960	100.0
137.09567	1.5
147.04404	4.6
147.11688	0.8
151.07521	5.0
153.05437	3.6
153.12752	3.7
154.06258	1.6
155.03421	0.7
156.08138	0.5
159.03172	0.4
161.06027	0.4
162.05331	0.4
163.03859	2.0
165.12671	0.5
170.05762	1.8
175.11169	0.4
175.14801	0.4
178.06305	0.8
179.07005	4.3
193.08557	0.6
211.09608	8.4
211.15147	0.5
211.16812	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
56.96556	0.5
57.03416	0.6
67.05476	0.5
79.05476	2.1
81.07041	1.9
86.17073	0.2
90.82758	0.3
91.05465	5.8
93.03399	0.3
93.07006	1.1
94.04173	1.9
95.04958	1.3
103.05444	0.5
105.07011	3.7
107.04932	1.1
107.08546	0.5
108.05688	0.4
109.06512	2.6
115.05394	0.3
119.04918	5.5
119.08569	0.4
121.06477	1.0
122.03631	7.4
123.08034	0.5
125.05974	0.3
133.06470	1.6
133.10123	0.6
137.05956	100.0
139.03912	0.3
147.04390	5.2
147.11574	0.3
151.07506	4.2
151.11296	0.3
151.37357	0.3
153.05449	2.9
154.06255	1.4
155.03410	0.5
161.05969	0.5
163.03839	2.1
167.96419	0.3
170.05681	1.5
178.06242	1.3
179.07004	4.2
193.12207	0.3
211.09622	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74274	0.4
55.01862	0.5
55.05502	0.7
56.96564	1.0
57.03434	1.0
67.05488	0.7
69.03412	1.3
69.07059	0.6
75.11139	0.5
76.56052	0.5
79.05472	3.2
81.07040	4.2
83.04967	0.6
84.64849	0.4
91.05463	7.5
91.08072	0.4
93.07030	2.2
94.04159	1.1
95.04960	2.1
98.97560	0.7
103.05431	0.8
105.07018	4.5
107.04926	1.1
107.08572	1.1
109.06460	4.0
109.10111	0.6
119.04934	5.9
119.08550	2.5
121.06500	3.2
122.03636	5.7
123.04421	0.8
123.08079	1.1
133.06482	2.5
133.10095	2.6
134.10501	0.6
137.05957	100.0
147.04378	5.6
147.08087	0.7
151.07556	4.5
153.05444	3.4
154.06230	1.2
161.05991	0.8
163.03885	1.1
165.09094	0.5
175.11151	0.6
179.06975	4.9
190.17091	0.5
211.09630	7.0
211.15080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81206	0.2
53.03946	0.2
53.61287	0.2
54.59299	0.2
55.01855	0.9
55.05500	2.0
57.03428	0.4
57.07061	1.1
58.68332	0.2
59.04977	0.4
59.81092	0.2
59.99173	0.2
65.03908	0.4
67.05490	2.9
67.74189	0.2
68.99765	1.3
69.03413	0.4
71.04965	1.2
79.05460	2.2
79.27017	0.2
80.92342	0.2
81.03395	0.9
81.07033	2.0
83.04968	1.2
85.02917	0.2
85.06533	6.3
87.37117	0.2
87.65942	0.2
91.05460	11.4
92.64121	0.2
93.07029	2.1
95.04945	2.7
95.08581	1.0
97.06514	0.4
99.04424	3.0
101.05999	1.6
103.05441	1.4
105.07011	4.3
107.08638	0.3
108.05704	0.8
109.02877	3.2
109.06477	0.9
110.03641	1.0
111.04416	0.3
111.08069	0.3
112.01555	0.5
113.05996	2.1
118.04087	0.3
119.04920	15.4
119.08549	1.1
121.02813	0.2
121.06484	1.3
122.69175	0.2
123.04406	9.9
123.08036	1.9
123.85982	0.2
125.02316	0.4
125.05994	0.5
127.03891	16.5
131.08502	0.2
133.06451	2.2
133.10101	3.4
136.05177	2.6
137.05942	0.4
139.03824	0.4
140.04651	0.9
141.05452	0.3
142.07762	0.3
144.74329	0.3
147.04390	12.4
147.11642	0.9
148.05147	0.8
149.06015	0.3
151.03902	0.8
151.07523	9.4
151.11156	0.3
155.03366	50.5
156.03682	0.2
157.10130	0.8
161.05963	1.0
161.07120	0.3
164.04634	0.9
169.04855	0.4
170.05710	100.0
175.11156	1.0
179.06995	23.4
185.45529	0.2
193.12177	1.0
195.82202	0.2
211.09601	1.6
211.13251	0.3
231.03236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
53.03931	0.4
55.01848	0.3
55.05487	0.4
56.96550	1.7
57.03434	0.6
67.05499	0.7
69.03419	0.6
69.07062	0.4
71.23129	0.3
79.05480	2.7
81.07043	3.1
83.04977	0.6
85.02894	0.6
89.03899	0.8
91.05457	7.2
93.07025	3.3
94.04157	1.8
95.04959	2.7
95.08599	0.4
97.02851	0.3
98.97561	6.8
101.44743	0.3
103.05435	1.5
105.07005	4.8
107.04935	1.9
107.08542	0.6
108.05680	0.3
108.08857	0.4
109.06501	2.9
111.07989	0.3
115.05499	0.5
116.98597	3.6
117.03355	0.7
119.04913	5.4
119.08567	1.4
121.06485	5.5
122.03626	5.9
123.08073	0.6
133.06429	1.8
134.99606	0.7
135.04379	1.4
137.05960	100.0
139.03862	0.6
145.02863	0.4
147.04385	7.0
151.07530	4.3
153.05399	3.4
154.06242	1.4
158.99597	0.8
159.39447	0.3
163.03876	4.4
163.11137	0.4
177.00700	1.6
178.06290	0.7
179.04591	1.4
179.07018	4.5
192.28914	0.4
193.08623	0.4
211.09637	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03925	2.9
55.01862	2.5
55.05505	100.0
56.96551	2.7
57.03428	2.2
57.07061	1.6
57.60742	1.4
59.04982	5.5
65.91332	1.3
67.05497	21.9
69.03414	5.5
69.07058	11.9
71.04971	13.5
75.04491	1.6
79.05469	17.1
81.03387	7.2
81.07039	40.0
83.04961	66.9
83.08600	41.3
85.06530	3.4
91.05460	24.4
93.07021	32.9
95.04331	1.8
95.04946	42.7
95.08577	23.7
97.06540	11.5
97.10132	9.2
99.04439	18.0
103.05406	1.7
105.06998	19.3
106.04153	5.5
107.04924	1.6
107.08574	38.5
109.06503	21.7
109.10144	28.0
111.08065	11.6
113.05969	1.7
113.09579	1.7
117.07003	2.3
119.08553	7.0
121.06461	7.3
121.10121	48.0
123.08026	2.9
123.11679	8.4
125.05976	2.4
125.09595	17.3
130.38318	1.7
131.04993	1.7
131.08574	11.2
133.10100	24.0
135.08043	6.4
135.11658	2.4
145.10091	7.2
149.05981	3.1
149.09570	6.4
149.13203	6.6
151.11154	32.1
153.09129	5.7
163.11124	2.0
163.14786	7.6
167.14281	45.5
169.54535	1.7
173.13235	7.3
185.08485	1.7
191.14287	9.3
209.08159	1.9
209.11554	12.8
209.15305	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77615	72.9
57.33960	78.9
57.45380	75.6
191.14450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.95860	0.5
53.03942	0.7
55.01861	2.4
55.05496	2.7
57.03434	1.0
57.07058	0.8
63.96031	0.6
65.03923	0.7
65.57554	0.5
67.05491	7.8
68.99767	0.7
69.03416	0.6
69.07045	0.8
69.84591	0.5
71.04982	1.1
79.05470	10.3
81.03384	0.5
81.07039	4.9
83.04955	1.3
85.02837	0.7
85.06530	5.9
91.05460	13.9
93.07014	4.9
95.04943	12.2
95.08589	4.4
97.06511	2.4
99.04414	4.1
101.05984	2.5
103.05452	4.3
103.52793	0.6
104.06248	0.6
105.07011	21.2
106.07326	0.6
107.04949	2.8
107.08564	0.7
108.05701	1.1
109.02843	1.2
109.06485	2.9
109.10101	0.9
110.03650	3.2
111.04439	2.2
113.05943	0.9
115.05450	0.9
118.04135	3.8
119.04893	9.4
119.08572	2.5
120.05715	1.0
120.21263	0.6
121.02850	3.2
121.06502	4.8
122.07210	0.8
123.04405	70.7
123.08028	6.7
123.11771	0.6
125.05924	0.5
131.08476	0.7
133.06467	8.9
133.10086	6.7
135.04411	0.9
135.08003	0.9
136.05136	1.0
137.05946	3.9
142.07767	0.8
146.03615	0.8
147.04372	7.4
147.08015	0.7
147.11652	1.0
149.05957	3.3
149.09627	0.7
150.06717	3.0
151.03883	6.7
151.07520	40.2
157.10155	0.7
161.05902	1.0
161.07071	2.2
165.09102	3.1
167.06972	5.9
175.11139	1.0
179.06999	100.0
180.07681	1.1
193.08574	7.3
193.12141	1.0
211.09590	15.1
211.13109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	1.1
55.05509	5.8
57.03423	1.3
57.07056	3.6
59.04985	4.4
67.05501	11.2
69.03418	0.9
69.07053	7.3
71.04985	8.8
79.05489	14.1
81.07043	46.5
83.04961	4.2
83.08606	4.4
85.06528	1.9
91.05464	14.4
93.07033	18.9
95.04950	29.8
95.08601	11.5
97.06516	23.8
99.04445	12.4
99.08073	1.0
105.07018	34.0
107.08578	20.3
109.06508	100.0
109.10151	17.0
111.08081	4.7
116.06188	1.0
117.07019	3.7
118.07831	1.2
119.08582	8.5
121.06483	1.6
121.10130	18.1
123.08088	5.6
123.11691	3.1
125.09644	1.8
129.06993	1.7
131.08559	23.4
131.09503	0.8
133.10118	97.5
135.08061	11.4
135.11629	1.0
143.08562	4.2
145.10109	10.5
147.11679	4.6
149.09596	1.2
149.13219	6.7
151.11198	3.3
153.09076	14.9
158.10901	8.8
163.14807	3.7
165.12746	1.1
167.14270	3.3
173.13240	29.2
191.14282	19.3
209.11499	4.1
209.15379	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.28556	2.6
53.03947	6.2
55.01870	5.0
55.05501	24.3
56.96563	100.0
57.03425	3.9
57.07075	31.6
59.04987	3.6
61.02928	3.2
63.58446	2.5
65.03960	3.4
67.05502	24.9
69.03416	5.5
69.07050	15.7
71.04981	62.2
79.05495	30.4
81.03418	15.7
81.07049	59.9
83.04980	16.8
83.08629	5.3
85.02880	4.6
85.06528	24.7
91.05465	45.2
93.07030	48.7
94.37521	3.0
95.04971	24.7
95.08586	29.5
97.06485	4.9
97.99170	17.6
99.04436	76.8
105.07017	72.3
107.04976	3.7
107.08583	50.1
108.11470	3.0
109.06508	39.6
109.10145	20.6
111.08134	5.6
111.91120	3.3
113.76277	3.2
116.00220	6.4
116.06324	3.0
117.07036	6.8
119.08585	24.6
121.06503	12.6
121.10165	19.6
123.04465	3.8
123.08072	19.5
129.06985	4.2
131.08559	54.6
133.10109	59.9
135.08055	16.6
135.11693	7.7
143.00110	4.1
145.10117	28.1
147.11697	12.7
149.09665	15.3
149.13264	17.8
151.11139	41.3
156.07965	7.0
158.10997	4.7
163.07776	3.1
163.11151	11.2
165.08556	3.5
173.13231	34.7
191.10640	5.5
191.14297	21.2
209.11685	5.0
209.15381	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.13420	1.4
54.81905	1.5
55.01884	1.6
55.05506	14.9
56.96549	3.0
57.03403	1.9
57.07058	12.0
59.04990	2.1
67.05492	11.9
69.03387	2.4
69.07050	35.7
69.09167	1.7
71.04971	20.1
75.07253	1.5
76.48998	1.8
79.05493	14.1
79.05877	2.3
79.47939	1.5
81.07034	31.0
83.04965	2.6
83.08603	9.7
85.02888	62.5
85.06526	10.0
91.05446	13.5
92.09271	2.6
93.07018	27.9
95.04941	8.6
95.08583	17.9
97.06500	24.4
97.10116	4.1
99.04453	2.1
102.03191	1.7
104.29685	1.7
105.07003	15.7
107.08566	46.6
109.06502	82.5
109.10126	10.7
111.08053	27.4
117.96046	2.0
119.08551	8.2
121.10123	18.8
123.08035	18.4
123.11681	19.7
125.05981	9.4
125.09591	10.2
131.08556	12.7
133.10101	11.8
135.08018	4.2
135.11678	11.1
139.11168	8.7
145.10045	2.4
147.11641	2.4
149.09584	10.4
149.13235	9.4
151.09947	3.3
151.11165	100.0
153.05426	3.2
153.09068	3.9
163.07545	1.9
163.11201	2.1
163.14792	11.7
167.10638	3.8
167.14340	9.9
168.07855	3.2
173.13216	9.3
191.14265	22.7
194.09343	8.4
209.15327	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.08599	0.5
52.12420	0.5
53.03968	0.6
55.01863	1.4
55.05494	3.1
56.96554	2.5
57.03389	0.7
57.07075	10.7
58.82312	0.5
59.04986	2.8
60.37919	0.6
60.54930	0.6
64.33127	0.6
67.05496	5.3
69.03415	12.7
69.07056	5.2
71.04989	7.0
79.05482	5.7
81.03397	0.9
81.07037	11.6
82.87185	0.6
83.04967	1.6
85.02853	0.8
85.06532	6.4
91.05476	6.8
93.07030	15.2
95.04956	8.8
95.08573	5.7
97.06512	1.0
99.04446	4.4
99.08079	1.2
105.07020	6.5
106.76262	0.7
107.08601	11.8
109.06506	48.7
109.10130	1.3
111.08086	1.2
117.06973	1.2
119.08564	1.2
121.06457	1.5
121.10103	3.4
123.03826	0.8
123.08064	1.2
125.09605	11.3
131.08578	4.7
133.10118	5.1
135.08038	4.3
135.11707	1.4
139.11125	0.7
143.08525	0.7
145.10127	1.0
147.08005	0.6
147.11649	0.7
149.09634	3.3
149.13252	2.8
151.11168	100.0
153.09091	3.8
163.14943	0.9
173.13208	1.5
191.14275	6.8
209.15393	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	209.1537
Annotation	23267-57-4
Peak:m/z	Relative Intensity
51.33394	0.4
52.10183	0.4
53.49545	0.4
55.01869	0.5
56.96547	1.9
57.07065	8.2
58.18319	0.4
58.83437	0.4
59.04980	0.5
62.00581	0.4
67.05470	1.2
69.07040	1.9
71.04974	4.0
77.46805	0.5
78.92912	0.5
79.05470	1.2
81.07046	5.0
85.06533	6.9
91.05455	1.1
92.38152	0.5
92.44790	0.5
93.07008	2.6
95.04945	5.2
95.08584	1.1
96.01540	0.9
101.75398	0.5
105.07026	0.9
107.08591	2.3
109.06507	49.1
117.07040	0.8
118.77087	0.5
121.06534	0.6
131.08572	2.0
133.10081	0.9
135.08040	1.2
149.09613	2.0
151.11168	100.0
191.14235	5.8
209.15312	7.7
226.07738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
53.03938	0.5
54.70532	0.7
54.81746	0.6
56.96552	1.4
57.07078	5.3
57.07462	0.6
59.04955	0.8
61.11096	0.5
67.05488	4.1
69.03403	3.1
69.07050	1.6
71.04978	1.1
75.64974	0.7
79.05460	1.7
81.07045	15.7
81.70679	0.7
85.06528	1.8
88.93719	0.7
90.24593	0.6
91.05447	3.9
93.07040	6.1
95.04941	3.9
95.08576	3.5
105.06997	4.3
107.04932	1.3
107.08589	9.1
109.06508	73.9
109.10157	6.3
116.54096	0.8
119.08546	9.4
121.10157	6.4
123.08056	10.2
123.11699	12.0
131.00169	1.0
131.08531	4.0
133.10083	6.2
135.11682	2.6
142.14969	0.7
145.10144	1.4
147.11703	0.9
149.09566	2.9
151.11168	100.0
158.10918	0.9
163.14795	1.6
173.13226	10.2
174.12680	0.7
191.14278	10.5
193.63037	0.7
209.15347	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.29786	2.6
51.14387	2.5
53.00283	3.3
53.03927	6.3
55.01872	6.0
55.05503	43.4
55.24702	3.2
57.03448	3.8
59.04974	5.5
67.05494	29.4
69.03423	7.9
69.07063	35.0
71.04974	91.1
79.05479	48.0
81.03393	13.7
81.07039	63.9
83.04965	19.8
83.08582	7.7
83.21760	3.0
85.02885	4.6
85.06527	21.9
91.05466	64.3
93.07027	74.1
95.04942	27.9
95.08576	42.2
97.02870	3.4
97.06533	6.0
99.04429	20.4
103.05443	4.5
105.07009	91.9
106.04164	24.7
107.04935	12.5
107.08588	73.6
109.06514	35.5
109.10163	34.6
111.08057	7.6
113.05945	4.3
115.05470	4.4
117.06996	21.7
119.08564	79.0
121.06470	30.0
121.10125	48.0
122.07277	6.2
123.08038	28.7
123.11672	5.4
125.05968	3.2
125.09640	5.2
127.03890	3.2
130.07751	4.2
131.08549	47.7
133.10106	100.0
133.10991	3.9
134.03615	4.1
135.08037	30.8
135.11671	12.6
136.99225	3.3
137.05954	4.9
137.09602	56.3
143.08534	4.2
145.10091	38.4
147.11720	4.5
149.05974	13.6
149.09627	13.9
149.13264	28.0
151.11162	50.9
158.10904	4.4
158.28595	3.5
163.11139	27.4
163.14838	4.7
167.14255	13.4
173.13203	34.1
174.49739	3.8
181.12190	4.4
191.10675	6.1
191.14325	20.2
196.53766	3.2
209.11661	29.3
209.15396	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01866	0.9
55.05501	5.2
56.96563	8.4
57.07058	4.6
59.05000	7.4
66.46423	0.8
67.05511	7.3
69.03414	1.8
69.07053	11.1
71.04977	11.0
73.95699	1.0
79.05469	8.6
81.07041	40.9
83.04954	2.3
83.08591	5.3
84.02111	0.8
85.06526	1.8
85.59000	1.1
91.05463	7.6
91.88046	1.0
93.07021	21.3
95.04926	5.0
95.08603	8.2
95.67542	1.0
97.26482	0.9
97.99191	1.1
99.04436	1.5
105.07014	12.3
106.04166	1.7
107.08581	28.3
108.05772	1.0
109.06504	16.4
109.10122	7.1
109.55772	0.9
114.03308	1.0
116.00207	1.2
117.07027	1.4
119.08540	2.4
121.06483	3.8
121.10096	11.4
123.11687	19.8
125.09589	3.8
131.08537	6.3
133.10110	63.1
135.08015	2.4
135.11694	1.3
137.05342	1.2
139.11162	4.7
145.10175	1.4
147.11729	1.3
149.05923	3.5
149.09645	4.4
149.13269	8.6
151.09944	2.4
151.11160	54.3
163.14803	2.3
167.10626	1.3
173.13199	7.9
191.14238	14.9
196.53421	1.0
209.15343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.80296	0.6
53.03944	1.0
55.01873	1.5
55.05506	12.8
57.07066	1.6
59.04990	1.8
64.32950	0.7
64.33302	1.1
67.05494	7.4
69.03416	12.2
69.07053	12.2
69.76985	0.8
71.04984	8.2
73.32567	0.8
79.05477	12.0
81.03418	3.8
81.07040	16.8
82.09670	0.8
83.04967	17.7
83.08609	4.8
89.35064	0.7
89.79859	0.9
91.05471	10.9
93.07034	13.5
95.04944	10.7
95.08588	21.9
97.06523	4.7
99.04429	1.5
99.08092	3.5
101.73531	0.8
103.05490	1.0
105.07010	21.5
107.04955	3.6
107.07870	1.6
107.08583	36.9
109.06516	13.0
109.10154	13.1
111.08097	1.7
117.07008	1.8
119.08548	8.0
121.06488	8.3
121.10127	41.4
122.07271	1.5
123.08041	9.8
123.11699	4.6
125.09604	9.1
129.07024	1.0
131.08556	11.4
133.10127	13.6
135.08055	11.3
135.11691	5.2
137.09618	5.2
139.11174	3.9
143.08568	1.5
145.10095	5.9
147.08060	1.2
147.11664	8.7
149.09634	10.6
149.13248	14.8
151.11166	100.0
153.09039	1.2
158.10921	5.6
163.11285	1.7
163.14833	3.4
163.77342	0.8
165.12732	9.0
173.13205	9.3
191.10605	1.1
191.14288	22.9
208.36475	0.9
209.15384	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	1.9
55.01888	0.9
55.05505	100.0
57.03435	1.6
57.07056	1.1
59.04991	4.7
67.05487	12.9
69.03411	6.8
69.07053	5.1
71.04971	7.5
79.05481	4.8
81.07039	17.3
83.04967	67.1
83.08604	46.5
85.06528	4.1
86.58801	1.1
91.05467	6.7
92.08673	1.4
93.07028	11.0
95.04951	60.0
95.08575	7.3
97.06501	7.1
97.10152	9.1
99.04440	6.7
99.78017	1.1
105.07043	10.7
107.08568	18.8
109.06509	8.0
109.10141	20.2
111.08071	11.7
113.05983	1.3
113.09637	1.2
119.08573	6.4
121.06499	1.7
121.10114	9.3
123.08015	1.4
123.11702	9.0
125.09628	11.4
131.08540	1.8
133.10115	9.6
145.10139	4.9
149.06056	1.1
149.09642	1.7
149.13249	5.4
151.11171	33.9
153.09135	7.7
163.11105	1.3
167.14284	50.2
173.13287	2.4
191.07004	1.4
191.10474	1.0
191.14301	2.3
209.11745	1.5
209.15343	32.8
209.17320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	4.5
55.01854	3.5
55.05498	19.9
56.96568	3.3
57.03431	4.8
60.04723	2.3
67.05486	15.2
68.80206	2.7
69.03419	19.6
69.07047	10.6
71.04973	12.5
79.05482	29.1
81.03410	17.7
81.07053	42.5
83.04980	18.7
83.08609	3.1
85.02893	3.2
85.06526	2.8
91.05478	27.6
92.08765	2.9
92.09271	3.6
93.07022	44.2
95.04964	39.1
95.08563	23.4
97.06516	4.4
99.04439	10.7
103.05409	3.9
105.07021	44.1
106.04153	5.0
107.04932	5.2
107.08589	67.8
109.06502	30.3
109.10142	15.3
117.06962	11.5
119.08580	31.3
121.06492	17.1
121.10136	34.2
123.08070	26.0
123.11694	12.2
130.07794	5.2
131.08589	19.2
133.10103	17.0
135.08037	11.5
135.11635	4.9
137.09578	16.9
145.10086	21.0
147.11661	5.7
149.05943	2.9
149.09615	16.4
149.13171	3.8
151.11194	6.1
153.09093	3.9
163.11116	22.3
165.12724	100.0
173.09583	2.5
173.13156	4.4
191.10689	4.4
191.14316	14.1
209.11664	4.0
209.15332	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	4.8
55.01868	1.9
55.05504	45.7
57.03430	2.7
57.07067	9.5
59.04986	3.0
67.05492	17.9
69.03416	36.8
69.07050	20.3
71.04963	9.7
76.56567	1.2
79.05475	16.8
81.03390	5.0
81.07045	22.6
83.04967	27.7
83.08628	10.3
85.06528	10.3
90.39710	1.0
91.05457	16.6
93.07021	34.4
95.04950	21.3
95.08588	26.5
97.06489	8.7
97.10143	19.0
99.04433	5.1
99.08076	14.5
102.17944	1.4
105.07010	23.1
107.04930	2.5
107.08573	64.4
107.09300	2.4
109.06512	14.3
109.10144	22.6
111.04459	1.7
111.08066	14.3
113.05956	10.6
117.07001	5.2
119.08543	16.6
121.06461	9.2
121.10121	49.9
123.08019	5.6
123.11694	7.1
125.05978	6.1
125.09602	100.0
130.07779	1.9
131.08528	11.6
133.10115	20.0
135.08002	16.1
135.11681	6.8
137.09587	5.6
139.07515	10.9
139.11163	4.7
143.08546	1.9
145.06425	1.5
145.10059	9.0
147.11629	5.5
149.09595	97.8
149.13235	18.1
151.11159	58.6
153.09081	19.7
154.09933	2.0
158.10931	3.0
161.13284	1.7
163.11153	5.9
163.14807	14.8
167.10617	1.9
167.14288	2.9
173.13220	16.2
191.10597	4.9
191.14267	38.1
209.11559	7.7
209.15329	58.7
215.69560	1.3
216.04805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	2.2
55.05506	92.7
57.07071	2.1
57.56446	0.9
59.04988	4.6
67.05499	10.5
69.03416	5.6
69.06706	1.4
69.07049	15.3
71.04977	2.0
79.05476	12.2
81.03410	1.4
81.07037	13.2
83.04964	36.5
83.08610	37.9
85.06513	3.3
91.05461	11.0
93.07021	49.4
93.94019	0.9
95.04948	73.4
95.08578	11.1
97.06518	5.9
97.10150	6.3
99.04443	6.1
105.02579	1.0
105.07015	14.1
107.08582	46.2
109.06484	7.3
109.10149	19.4
109.47913	0.9
111.08060	10.1
113.09696	1.3
117.06984	1.2
119.08582	8.1
121.10123	100.0
122.14775	1.1
123.08157	1.0
123.11708	9.3
125.09641	6.4
131.08543	2.0
133.10112	6.1
135.08032	1.1
135.11674	3.7
145.10127	5.4
147.04369	1.8
149.13333	2.1
151.11151	28.9
153.09081	9.4
163.11134	1.6
163.14806	14.6
167.14282	31.3
173.09631	1.3
173.13222	2.0
191.10585	1.5
191.14220	7.3
209.11734	1.2
209.15343	29.0
216.54834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.53548	2.5
53.03932	6.2
55.01871	3.9
55.05505	84.9
56.96558	21.4
57.03418	3.7
57.07056	2.6
59.04987	3.9
61.02886	2.8
62.53997	2.1
67.05494	17.0
69.03417	14.3
69.07056	15.5
70.13187	2.3
71.04961	11.7
72.19847	2.6
73.02903	2.5
79.05479	16.9
81.03402	24.7
81.07028	24.9
82.91351	2.7
83.04962	42.0
83.08611	28.0
85.02887	10.1
85.06524	13.1
89.74301	2.4
91.05460	16.0
93.07009	51.6
95.04942	61.0
95.08589	15.6
97.02855	10.3
97.06503	5.9
98.97542	13.0
99.04440	13.1
105.07001	18.7
107.08570	48.6
109.06508	12.1
109.10107	19.4
111.04414	4.1
111.08037	12.4
113.06010	10.2
116.98611	4.8
119.08543	14.6
121.06477	5.6
121.10118	100.0
125.09586	5.4
128.02264	4.8
131.08554	9.9
133.10098	14.5
135.04379	6.1
135.07986	3.5
135.11679	5.2
138.67409	2.6
145.10158	10.4
149.01195	5.7
149.09663	3.4
151.11128	24.9
153.05460	4.8
153.09116	4.6
158.66620	2.5
158.99620	4.4
163.03877	9.8
163.14784	11.9
167.14276	28.7
168.07750	9.7
177.00658	17.9
177.05463	3.4
191.10745	3.8
191.14305	4.7
194.09245	3.0
209.07794	4.3
209.11450	3.7
209.15331	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.16894	0.3
55.01857	1.0
55.05501	0.5
57.07067	5.5
59.04985	0.6
62.84051	0.3
65.55623	0.2
67.05481	1.2
69.03403	0.3
69.07044	2.0
71.04961	2.6
79.05467	1.7
81.07038	3.2
85.02879	1.2
85.06533	4.1
91.05457	1.8
93.07003	3.1
95.04946	4.0
95.08574	1.6
97.06490	0.4
99.04414	0.3
105.07014	2.5
107.08569	2.8
109.06502	42.7
109.10123	0.5
111.08047	0.4
111.82474	0.3
112.57136	0.3
115.05495	0.3
117.06985	0.5
119.08540	0.5
121.06474	0.3
121.10083	0.5
123.08031	1.1
131.08556	1.9
133.10103	1.3
135.07988	0.5
139.11160	0.3
145.10027	0.5
149.09589	2.5
151.11160	100.0
173.13213	0.6
191.10593	0.4
191.14276	9.2
209.15337	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.55182	0.9
53.03939	2.2
54.45366	0.9
55.05495	7.0
56.96561	2.3
57.07054	1.8
58.22438	0.9
59.04971	1.6
61.21310	1.1
63.10844	1.0
63.86730	1.0
67.05489	7.3
69.03412	13.0
69.07053	8.3
71.04962	7.4
79.05484	7.9
81.03413	10.5
81.07043	19.9
83.04964	5.0
85.06504	1.3
91.05466	10.9
93.07029	16.5
95.04955	13.1
95.08589	15.2
97.06499	1.8
99.04433	12.9
105.06999	9.4
107.08601	14.9
107.90318	1.2
109.02927	1.3
109.06501	17.4
109.10150	2.0
111.08057	1.5
117.06992	2.3
119.08569	12.1
121.10121	16.1
123.08056	17.6
123.11690	11.8
128.83240	1.1
131.08543	5.3
133.10098	5.1
135.08107	1.3
135.11658	1.7
137.09599	5.9
145.10138	2.8
147.11612	4.8
149.09630	12.8
149.13239	6.8
151.11166	7.1
153.08975	1.2
165.12721	100.0
173.13239	1.9
191.10709	1.6
191.14346	2.1
209.12057	1.3
209.15335	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	4.3
55.01866	2.3
55.05502	18.9
56.96560	14.9
57.03421	1.1
57.07073	5.3
59.04986	2.0
63.11131	1.0
65.03919	1.7
67.05494	16.5
69.03414	18.8
69.07056	19.2
69.88590	1.0
71.04977	18.3
79.05475	22.2
79.13515	1.0
81.03406	12.2
81.07040	39.9
83.04970	23.7
83.08600	7.1
84.97776	1.0
85.06533	2.6
91.05463	30.6
93.07027	27.5
95.04945	18.6
95.08586	30.0
97.02890	1.2
97.06503	5.8
97.52836	1.0
99.04433	10.5
99.08075	2.2
103.05457	2.3
105.04501	1.4
105.07018	35.6
106.04164	5.0
107.04945	5.0
107.08579	57.2
109.02887	2.0
109.06511	45.8
109.10147	25.9
111.04446	1.9
111.08073	6.7
113.05994	2.5
115.05479	2.2
117.07000	7.2
118.04639	1.0
118.90697	1.0
119.06072	1.3
119.08525	14.1
120.59876	1.2
121.06481	15.1
121.10123	54.6
121.10987	2.3
122.04875	1.2
122.07257	2.7
123.08038	15.7
123.11675	9.4
125.09624	7.4
126.65939	1.0
129.07040	1.4
130.07814	1.9
131.08517	15.0
133.10110	35.8
135.08038	30.2
135.11694	8.1
137.06003	1.5
137.09602	24.8
139.11177	2.4
141.05414	1.7
143.08571	7.3
145.10098	11.0
147.11646	9.1
149.05978	1.8
149.09615	17.7
149.13229	19.9
151.11166	100.0
153.09081	4.7
158.10875	3.9
162.48886	1.1
163.11130	2.4
163.14745	8.1
165.08592	2.3
165.12680	11.2
173.13254	13.7
176.59520	1.2
191.10617	2.2
191.14294	27.6
209.11794	2.4
209.15309	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	4.6
54.86373	0.6
55.01627	1.0
55.01868	17.0
55.05502	33.8
56.96548	0.9
57.42043	0.6
59.04982	1.4
59.35121	0.5
64.33779	0.6
65.03922	3.0
67.05490	14.7
69.03415	7.3
69.07050	4.3
71.04974	5.6
78.33534	0.7
79.05473	36.6
79.72207	0.7
80.06236	0.7
81.03391	10.2
81.07037	24.4
83.04966	34.6
83.08608	1.6
85.02876	3.8
85.06538	1.0
91.05461	44.5
93.03403	0.8
93.07024	41.4
95.04945	24.4
95.08587	4.2
97.06505	3.9
99.04426	22.3
101.06011	5.7
103.04839	0.8
103.05431	6.7
105.07012	100.0
106.04151	3.1
107.04206	0.9
107.04941	28.1
107.08575	35.9
108.05711	6.0
109.06502	35.8
109.10130	10.9
110.53414	0.7
111.04416	8.7
115.05468	7.6
116.06201	3.9
117.03380	1.5
117.07001	21.2
119.04910	3.4
119.08557	38.4
121.06483	20.7
121.10122	24.8
122.07288	8.9
123.08048	3.8
123.11684	0.8
125.06005	1.8
127.03883	1.5
128.06206	1.6
129.06938	7.7
129.98476	0.8
130.07755	5.3
131.04893	4.2
131.08543	55.2
133.06520	1.8
133.10101	48.7
134.03584	0.8
135.04372	5.4
135.07225	0.8
135.08028	29.7
135.11676	6.1
137.05942	13.2
137.09595	39.6
143.08549	3.2
144.09430	0.8
145.02837	0.8
145.06465	3.5
145.10107	29.7
147.04427	1.1
147.08026	5.7
149.05954	10.3
149.09592	13.5
149.13225	8.8
151.11185	1.3
155.08551	1.8
158.07214	0.9
159.04395	1.8
160.03583	0.8
163.07518	4.6
163.11154	36.2
173.09610	7.4
173.13248	3.7
177.05434	16.4
191.10645	19.6
191.14272	3.5
209.11696	6.6
209.15369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	11.9
55.01874	17.1
55.05508	98.3
56.96556	10.1
57.03413	3.5
57.07056	2.0
59.04984	12.3
67.05499	19.8
69.03421	12.4
69.07053	17.9
71.04968	15.3
73.02878	3.6
77.15174	2.1
77.93141	2.1
79.05481	44.4
79.46937	1.8
81.03399	28.2
81.07036	33.5
83.04966	58.6
83.08601	22.6
85.02876	8.9
85.06529	5.0
91.05462	45.1
93.07027	58.0
95.04955	59.1
95.08585	13.7
97.02865	2.0
97.06510	3.0
97.10150	2.6
98.97544	3.4
99.04433	26.9
103.05476	3.2
103.63244	2.3
105.07021	100.0
107.04961	22.9
107.08595	41.2
108.05757	3.6
109.02851	2.8
109.06526	18.0
109.10162	17.4
111.04440	10.3
111.08049	4.1
113.05992	4.2
117.07017	21.5
119.04924	2.6
119.08553	33.2
121.06500	26.4
121.10117	48.3
122.07275	1.9
123.08054	8.7
125.05968	2.4
125.09576	4.8
127.03915	2.1
127.07410	2.4
129.07011	9.4
130.07762	8.9
131.05095	2.3
131.08540	50.2
133.06505	3.6
133.10106	16.0
135.04404	2.1
135.08054	22.0
135.11655	8.8
137.05948	13.2
145.06436	3.0
145.10117	36.3
147.08070	11.5
149.05933	4.6
149.09612	23.9
149.13310	2.4
151.11200	18.3
153.05438	3.3
153.09090	4.4
161.09517	2.2
163.07475	5.2
163.11154	39.3
163.14857	2.8
167.14267	20.3
167.20329	2.0
167.89116	2.2
168.07834	2.3
173.09612	7.7
191.10649	28.0
191.14334	3.9
194.09395	3.0
209.11615	29.7
209.13272	2.9
209.13594	2.9
209.15279	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	209.1171
Annotation	Xanthostemone
Peak:m/z	Relative Intensity
53.03959	1.1
54.81891	1.2
55.01858	5.3
55.05502	10.0
64.33492	1.1
67.05478	6.5
68.17159	1.2
69.07053	11.1
71.04974	14.1
74.49988	1.4
79.05471	11.1
81.03419	2.3
81.07030	10.1
83.01344	10.8
83.04942	7.8
85.02867	1.5
85.06526	66.8
91.05453	10.1
92.64407	1.3
93.07014	17.4
94.05099	1.1
95.04936	5.5
95.08575	10.1
96.05244	1.4
97.02847	1.6
97.06493	11.9
99.04426	10.3
99.13431	1.3
105.07011	13.5
107.04926	6.4
107.08559	18.8
109.06490	7.8
109.10097	2.7
111.04436	2.5
113.05985	30.9
117.07018	2.1
119.08533	5.7
121.06486	11.6
121.10123	8.0
123.04436	1.5
123.08012	9.2
125.05969	83.8
125.09628	1.9
131.08540	7.2
133.10071	2.4
135.08049	3.0
135.11652	1.3
139.07520	1.9
139.11130	3.0
145.10051	7.2
149.05957	14.2
149.09569	12.1
149.13168	1.4
151.07507	9.2
151.11157	3.2
155.07005	1.2
156.56413	1.3
163.11137	7.1
167.06990	18.0
167.10629	13.5
173.09435	1.6
173.13237	1.9
176.08263	1.8
176.11916	2.4
191.10641	10.4
191.14227	3.1
209.11688	100.0
209.15016	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	209.1171
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03939	1.1
54.09038	0.5
55.01870	1.5
55.05500	2.9
56.96556	0.7
57.03430	0.9
57.07069	1.3
60.43604	0.6
66.96315	0.7
67.05499	3.1
69.03423	1.0
69.07054	1.5
71.04975	3.6
79.05471	4.7
81.03402	4.6
81.07048	6.6
83.04957	3.3
85.02894	0.9
85.06534	1.5
91.05455	16.3
93.07017	9.3
95.04955	3.7
95.08586	3.9
96.94696	0.7
97.06503	0.6
99.04430	1.6
103.05452	7.0
105.07015	15.3
106.04177	0.7
107.04945	8.8
107.08592	7.0
109.06490	5.6
109.10139	1.5
111.04423	0.7
113.06001	1.3
115.05447	2.7
116.06228	4.3
117.07002	3.1
119.04919	20.6
119.05703	1.1
119.08574	3.8
121.06491	14.7
121.10139	3.8
123.04405	4.1
123.08038	5.7
125.05994	1.3
130.04160	0.9
131.04910	17.1
131.08574	2.6
132.05685	1.7
133.02870	3.6
133.06458	14.2
133.10106	2.6
134.07239	4.7
135.08046	10.4
135.11728	0.9
136.05203	4.3
137.05925	2.9
141.05458	1.1
144.05713	1.2
145.06465	1.6
145.10126	1.0
146.07257	3.1
147.04390	14.8
147.08038	6.7
147.11778	0.7
149.05980	6.0
149.09616	3.0
151.07527	29.3
151.11136	4.2
153.05470	4.0
153.09103	1.4
161.05977	4.9
162.06723	8.4
163.07512	19.6
165.05460	5.2
165.09085	1.1
166.06158	5.1
167.07076	1.0
168.07802	4.4
173.13243	2.5
177.09085	10.5
178.09865	22.4
178.11351	1.1
179.07004	38.7
181.08546	10.2
183.03413	0.7
191.14330	0.9
193.08641	0.8
194.09363	100.0
198.79610	0.7
209.11699	16.4
209.15366	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03927	2.2
55.01855	5.1
55.05265	3.5
55.05505	68.9
56.96555	2.9
57.03410	5.7
57.07053	4.1
65.03931	2.5
67.05491	20.9
69.03413	5.5
69.07056	45.9
70.69310	2.2
71.04969	13.5
79.05048	3.3
79.05474	47.1
81.03394	18.9
81.07037	54.6
83.04962	35.5
83.08604	22.6
85.42493	2.5
91.05456	49.1
92.08662	5.3
93.07020	85.8
95.04949	51.0
95.08582	18.8
97.06502	4.0
99.04414	10.3
103.05432	3.8
105.07011	73.8
106.04178	2.7
107.04928	20.0
107.08580	55.3
108.90937	2.4
108.91709	2.5
109.06518	27.2
109.10140	16.6
109.45740	2.5
111.08073	4.8
111.73064	2.1
113.05970	9.2
117.06997	28.9
119.04877	5.8
119.08558	67.1
121.06487	35.1
121.10120	81.3
121.16452	2.3
122.59914	2.4
123.08074	4.3
123.11665	2.3
125.09615	5.6
127.03798	2.7
129.07008	4.4
130.07739	16.7
131.04860	2.8
131.08565	19.3
133.10100	38.8
135.04337	4.0
135.08022	14.5
135.11691	14.6
135.20497	2.6
141.05447	3.5
142.21268	2.4
143.08542	3.4
145.06453	2.8
145.10098	100.0
147.04385	10.8
147.07965	3.7
147.11658	5.4
149.05960	11.2
149.09608	13.5
151.11163	12.8
153.01843	3.1
153.05504	4.9
153.09062	5.8
158.07175	3.2
163.07506	10.9
163.11119	42.8
163.14787	3.3
167.14275	21.9
173.09598	12.8
173.13226	4.9
181.12215	18.4
191.10632	43.2
191.14299	5.0
202.71768	2.2
203.07785	2.9
205.78508	2.3
209.11703	57.4
209.15398	19.0
226.14923	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	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01851	0.8
55.05507	4.7
57.03419	0.7
57.07070	1.1
59.04974	1.1
60.53685	0.7
61.76054	0.9
64.34863	0.7
65.03915	4.5
66.67816	0.7
67.05489	4.4
69.03420	0.8
69.07056	10.6
71.04977	7.0
77.77493	0.7
79.05479	6.0
81.07034	9.2
83.08597	3.9
85.02889	22.6
85.06538	3.3
91.05453	16.5
93.03395	11.8
93.07024	8.6
95.04964	3.6
95.08598	4.4
97.06468	6.1
97.10129	1.5
102.04666	1.0
103.05433	8.6
105.03402	1.1
105.07007	14.4
107.04948	2.0
107.08568	15.7
109.06511	15.0
109.10154	3.7
110.03618	6.8
111.04420	10.6
111.08076	7.5
115.05411	2.0
116.06210	5.9
117.06958	2.5
117.72688	0.8
118.04106	0.9
119.04916	29.2
119.08545	1.4
120.05795	0.8
121.06482	4.1
121.10093	6.8
123.04433	1.4
123.08047	5.8
123.11669	7.4
125.05962	16.9
125.09628	3.3
130.04123	1.5
131.04897	24.5
131.08517	1.8
132.05717	1.9
133.02852	6.0
133.06480	18.8
133.10120	4.2
134.07236	7.0
135.08060	1.4
135.11707	1.1
137.05969	1.3
138.06882	0.8
139.07530	1.2
139.11185	2.0
144.05713	1.6
145.06500	1.0
147.03311	0.9
147.04385	23.0
147.08064	1.4
149.09596	4.1
149.13228	1.7
151.07524	22.5
151.11159	6.4
152.04750	1.0
153.05441	84.1
153.09029	1.9
161.05972	7.5
162.06757	4.5
163.07498	21.8
163.14725	2.9
164.94072	0.9
165.05460	5.5
167.07027	1.9
167.14297	4.4
168.07774	87.8
171.54111	0.8
173.13232	4.5
177.09125	3.2
178.09825	2.0
179.06995	31.3
181.08611	1.3
191.14310	5.6
193.08632	1.5
194.09348	100.0
203.70650	0.8
209.11699	11.0
209.15329	21.3
225.30638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.26735	1.5
53.19021	1.6
55.05504	15.2
56.96571	3.1
57.07057	4.6
60.36206	1.6
63.27037	1.9
67.05486	13.9
68.03294	1.7
69.03409	4.6
69.07056	29.8
71.03056	1.6
71.04980	25.6
71.24265	1.9
77.88038	1.8
79.05489	18.6
81.07047	37.5
83.04932	1.9
83.08585	2.7
85.06569	2.6
91.05454	31.0
93.07021	100.0
95.04961	9.8
95.08584	36.7
97.01984	1.8
99.04439	45.1
102.11742	1.9
105.07011	80.7
107.08581	73.3
109.06493	9.7
109.10143	23.9
117.06989	2.8
119.08553	30.3
121.06512	2.7
121.10122	45.4
123.04405	2.7
123.08044	11.9
123.11686	10.8
128.06233	3.1
133.10120	51.3
135.11656	4.0
137.09595	3.2
137.13257	2.3
140.69305	2.0
143.08537	2.6
145.10126	2.8
147.11665	38.7
149.09598	11.2
149.13235	78.8
151.11163	12.5
161.13158	2.5
163.14716	2.2
165.09094	2.0
165.16322	7.3
182.14200	2.0
189.09030	3.4
189.16368	35.2
207.13847	2.8
207.17444	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03918	3.1
55.01865	8.0
55.05501	15.7
55.15895	1.5
56.69865	1.6
57.07065	2.2
61.25619	1.4
65.03916	2.0
67.05497	32.1
69.03423	24.5
69.07061	7.8
71.04987	11.9
73.66508	1.4
79.05482	39.1
81.03400	2.7
81.07037	28.2
83.04983	8.2
83.08622	4.1
85.06544	13.9
91.05460	26.4
93.07026	62.0
95.04955	27.3
95.08605	9.4
95.57793	1.7
97.06525	7.7
99.04457	11.6
105.07015	46.0
107.04942	7.1
107.08582	100.0
109.06516	23.8
109.10165	3.5
110.28540	1.7
113.06010	3.7
115.03948	1.7
117.07015	8.1
119.08575	18.3
121.06496	23.0
121.10146	22.2
123.08059	7.3
123.12722	1.7
125.06036	1.7
130.07774	2.6
131.08583	7.5
133.10114	9.3
135.08040	16.5
135.11659	18.4
137.29984	2.2
145.10086	38.6
149.05946	2.0
149.09621	17.9
163.11157	61.1
171.09937	1.9
173.09641	4.1
173.13310	2.2
181.12155	3.7
191.10654	18.5
191.14259	2.7
209.11588	17.8
209.15390	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	207.1742
Annotation	2,4-Di-tert-butylphenol
Peak:m/z	Relative Intensity
55.05501	9.2
67.05479	10.3
69.07060	25.9
72.93756	2.3
75.19857	1.6
75.20940	2.1
78.10129	1.7
79.05484	7.5
81.07039	25.2
83.04967	24.5
83.08572	2.4
91.05456	12.8
93.07023	16.6
95.08586	29.6
97.06522	4.1
105.07013	23.8
107.08600	16.4
109.06509	7.4
109.10155	13.7
114.37576	2.3
115.05479	2.5
119.08563	11.3
121.10089	7.7
123.08039	100.0
123.11674	8.4
131.97430	2.4
133.10103	25.8
135.11745	3.2
136.15903	2.1
137.13245	3.2
147.11729	15.6
149.09642	2.5
151.11133	17.0
161.13203	2.7
165.12782	3.6
189.16353	17.2
207.17421	76.5
214.45323	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.55587	0.6
52.67993	0.6
55.01861	1.1
55.05516	5.8
57.07056	1.6
63.77338	0.6
66.18354	0.6
67.05486	7.4
67.67527	0.5
69.03395	0.7
69.07055	29.1
77.39756	0.6
79.05056	0.6
79.05472	6.4
81.06598	1.0
81.07042	22.1
83.04971	17.8
83.08608	1.4
91.05470	9.4
92.08694	1.1
93.07021	14.5
95.04929	3.4
95.08004	1.3
95.08582	24.1
97.06504	4.7
105.07016	22.1
107.08575	13.8
109.06495	6.2
109.10154	6.6
111.08096	1.4
111.11691	1.1
119.08566	12.9
121.10091	5.4
123.08047	100.0
123.11654	3.3
133.10100	19.9
135.11655	5.2
137.09587	1.6
137.13232	11.5
145.10118	0.7
147.11650	13.7
149.09569	1.3
149.13228	4.7
151.11145	14.8
161.13235	3.7
163.11151	0.7
163.14780	1.7
164.11925	2.7
165.12758	3.4
189.16360	16.1
207.17416	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03950	1.4
54.81555	0.8
55.05509	12.1
55.57779	0.8
56.96556	6.3
57.03431	1.9
57.07069	1.9
59.04990	1.2
67.05499	18.8
69.07056	10.8
71.04980	21.1
72.21325	1.0
74.75294	1.0
79.05478	21.0
81.07044	48.4
82.89682	1.1
83.04996	1.2
83.08617	2.1
85.06542	2.6
91.05466	29.2
92.08642	1.1
93.07030	91.9
95.04971	4.0
95.08588	46.7
97.06513	6.0
99.04447	1.4
99.08017	1.3
105.07018	60.3
107.08585	48.0
109.06493	2.3
109.10143	25.8
117.07043	1.2
119.08569	34.1
121.10130	100.0
123.08061	5.1
123.11732	5.2
125.09628	1.5
131.08578	4.7
133.10117	60.2
135.11696	2.6
137.09590	2.2
145.10101	4.0
147.08099	1.6
147.11682	27.7
149.09642	8.9
149.13245	29.3
151.11180	2.0
159.08022	1.1
161.13219	12.8
163.06967	1.2
163.14780	2.2
165.08995	1.3
183.18510	1.2
185.15073	1.1
189.12723	2.1
189.16371	93.0
207.13885	7.7
207.17415	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	2,4-Di-tert-butylphenol
Peak:m/z	Relative Intensity
52.35148	0.8
52.47643	0.8
55.01875	1.3
55.05508	14.1
57.07064	2.5
59.04977	1.1
60.23787	0.9
67.05494	16.3
69.07059	27.3
79.05476	6.3
80.21474	1.1
81.06595	1.9
81.07040	26.7
83.04519	1.9
83.04967	31.3
83.08606	6.5
85.89164	1.0
86.73638	1.0
88.77271	1.2
91.05458	11.4
93.07021	20.7
95.04971	1.9
95.08585	27.5
96.88613	1.2
97.06509	16.4
97.10172	1.6
105.07010	18.1
106.63745	1.0
107.08585	23.1
108.77032	1.1
109.06516	20.8
109.10149	19.7
110.67438	1.0
110.79675	1.1
111.08067	7.7
119.08559	11.3
121.10102	7.6
123.08049	60.8
123.11668	4.3
125.09611	19.3
131.42442	1.1
133.10107	26.7
135.11649	2.0
137.09595	7.8
137.13226	2.4
147.11656	12.4
149.09772	1.2
149.13190	5.2
151.11172	17.7
161.13251	6.3
163.14754	1.6
165.12595	1.2
189.16353	18.0
207.17419	100.0
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
51.63328	0.6
53.03922	1.2
54.17200	0.6
55.05507	6.9
58.81502	0.7
67.05486	4.3
69.03130	0.7
69.03420	12.6
69.07031	1.5
71.04970	5.5
78.37491	0.7
78.77848	0.7
79.05473	9.1
81.03374	1.2
81.07050	9.1
83.04958	4.1
85.06522	1.7
91.05453	14.2
93.07024	16.0
95.04932	4.3
95.08587	6.9
97.06493	1.0
98.97551	4.5
99.04417	4.5
105.07024	23.7
107.04952	1.6
107.08569	10.2
109.06499	5.6
109.10168	1.1
109.20286	0.7
116.98557	1.2
117.06944	1.3
119.04916	1.2
119.08562	14.5
121.06472	4.3
121.10118	7.9
123.08043	3.7
128.06248	1.7
129.06929	1.9
131.08543	5.0
133.06496	2.0
133.10133	4.6
135.08014	3.9
135.11703	1.1
137.09630	1.6
143.08537	3.2
145.06421	1.3
145.10117	4.2
146.07242	0.9
147.08028	1.7
147.11685	8.9
149.09596	100.0
151.07481	1.1
152.48990	0.9
157.06496	1.0
161.05913	9.3
161.09625	4.3
161.13245	4.4
164.04662	1.2
165.08961	1.0
165.12746	3.1
171.11707	1.2
179.14435	0.9
189.09126	3.2
189.12691	7.7
207.09891	3.6
207.13776	27.2
207.17282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03926	2.3
55.05503	9.1
57.07059	2.3
65.03922	5.3
67.05483	10.5
69.03416	16.1
71.04971	4.0
74.48662	2.1
77.03858	2.2
79.05466	9.2
81.03362	4.6
81.07047	20.8
83.04922	3.5
85.02422	2.6
85.02891	35.4
85.12463	2.2
91.05461	100.0
92.09331	2.1
93.07021	12.1
95.04925	2.9
95.08573	15.5
95.50815	2.2
105.07019	36.3
107.04929	5.5
107.08564	15.7
109.06522	4.9
109.10104	9.8
118.04137	12.0
119.04916	55.9
119.08547	34.7
121.06473	2.4
121.10070	4.8
123.08024	9.6
123.11655	11.9
128.06166	3.3
129.06998	2.9
130.07765	4.3
131.08553	14.2
132.02005	4.0
133.06500	2.4
133.10097	11.7
135.04433	2.8
143.08537	4.0
145.06479	2.7
145.10077	5.5
146.03568	2.4
147.04382	39.9
147.08022	5.2
147.11699	27.7
149.02319	9.7
149.09564	9.7
156.09291	9.2
157.03894	2.8
159.07921	2.9
161.09579	4.3
163.11086	4.0
164.04611	8.0
174.10278	4.8
175.03879	35.1
179.07005	3.1
189.12718	15.2
192.04158	18.7
207.06493	29.3
207.10028	2.9
207.13722	33.7
207.17407	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.00294	1.8
53.11747	1.2
54.81595	1.4
55.01846	1.3
55.05487	7.6
61.97303	1.2
63.24046	1.4
66.81361	1.3
67.05484	3.5
69.03417	85.7
69.07040	10.7
71.04958	7.9
72.45816	1.3
79.05470	12.7
81.07048	21.4
83.04948	9.2
83.08548	1.5
85.06503	1.4
85.74313	1.8
91.05453	18.3
93.07029	24.0
95.04941	2.7
95.08590	15.3
96.92365	1.4
97.06499	2.6
99.04453	2.9
103.05416	1.7
105.07018	44.4
107.08597	26.4
109.06518	6.5
109.10121	1.5
111.08047	2.2
119.08570	19.5
119.86746	1.6
121.06481	3.4
121.10132	14.3
123.08042	12.0
125.09581	1.7
131.08540	14.3
133.06383	1.5
133.10062	7.9
134.07263	3.2
135.08009	6.4
137.09607	2.2
137.13171	5.8
143.08536	2.3
145.10088	6.8
147.08069	2.1
147.11679	12.9
149.09598	100.0
150.10425	13.2
156.09302	9.8
161.09598	2.9
161.13205	6.3
164.53078	1.9
165.12718	6.3
171.11641	6.1
189.12729	9.9
207.13773	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03942	6.3
54.81507	1.0
55.01871	3.8
55.05502	10.1
56.96564	6.9
65.03959	1.1
67.05494	22.6
69.03417	14.3
69.03721	1.1
69.07056	5.1
71.04965	8.4
77.03922	1.2
79.05477	43.1
80.43827	1.0
81.07037	17.5
83.04962	6.0
83.70461	1.1
85.02894	1.2
88.14223	1.0
91.05469	35.8
91.06007	1.7
91.37480	1.0
93.03352	1.2
93.07024	20.4
95.04958	20.2
95.08591	13.0
97.06531	7.4
99.04443	8.1
103.01251	0.9
103.05461	1.8
105.07011	59.1
107.04931	19.0
107.05514	1.2
107.08583	16.3
109.06475	10.7
109.10137	29.7
111.08099	1.2
115.05434	1.9
117.06239	1.0
117.07007	8.4
119.04951	5.3
119.08569	43.3
119.09397	2.1
121.06481	11.6
121.10104	9.2
123.04479	1.3
123.08038	5.0
125.05975	1.8
128.06194	22.5
129.06993	14.9
130.07729	1.6
131.04945	1.5
131.08554	9.1
133.06467	6.6
133.10107	38.4
135.08066	4.4
137.05981	5.2
137.09587	24.9
143.08549	31.7
145.06487	6.0
145.10097	7.1
146.07219	10.2
147.04405	1.5
147.08031	29.3
147.11678	13.0
149.02362	3.9
149.09608	18.3
151.07535	1.6
156.09372	1.2
159.08069	3.6
161.05980	1.9
161.09593	100.0
161.13205	7.2
163.11197	4.2
164.04668	5.1
165.09096	8.9
165.12755	2.1
171.08205	1.1
171.11697	2.3
174.06752	1.9
179.07036	2.4
179.10678	3.9
187.19437	1.2
189.09109	6.0
189.12692	11.8
189.16397	1.7
192.04164	1.2
199.14925	1.1
207.06537	6.5
207.10095	7.5
207.13799	18.6
207.17436	1.3
213.68713	1.0
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	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
54.81507	1.0
55.01871	3.8
55.05502	10.1
56.96564	6.9
65.03959	1.1
67.05494	22.6
69.03417	14.3
69.03721	1.1
69.07056	5.1
71.04965	8.4
77.03922	1.2
79.05477	43.1
80.43827	1.0
81.07037	17.5
83.04962	6.0
83.70461	1.1
85.02894	1.2
88.14223	1.0
91.05469	35.8
91.06007	1.7
91.37480	1.0
93.03352	1.2
93.07024	20.4
95.04958	20.2
95.08591	13.0
97.06531	7.4
99.04443	8.1
103.01251	0.9
103.05461	1.8
105.07011	59.1
107.04931	19.0
107.05514	1.2
107.08583	16.3
109.06475	10.7
109.10137	29.7
111.08099	1.2
115.05434	1.9
117.06239	1.0
117.07007	8.4
119.04951	5.3
119.08569	43.3
119.09397	2.1
121.06481	11.6
121.10104	9.2
123.04479	1.3
123.08038	5.0
125.05975	1.8
128.06194	22.5
129.06993	14.9
130.07729	1.6
131.04945	1.5
131.08554	9.1
133.06467	6.6
133.10107	38.4
135.08066	4.4
137.05981	5.2
137.09587	24.9
143.08549	31.7
145.06487	6.0
145.10097	7.1
146.07219	10.2
147.04405	1.5
147.08031	29.3
147.11678	13.0
149.02362	3.9
149.09608	18.3
151.07535	1.6
156.09372	1.2
159.08069	3.6
161.05980	1.9
161.09593	100.0
161.13205	7.2
163.11197	4.2
164.04668	5.1
165.09096	8.9
165.12755	2.1
171.08205	1.1
171.11697	2.3
174.06752	1.9
179.07036	2.4
179.10678	3.9
187.19437	1.2
189.09109	6.0
189.12692	11.8
189.16397	1.7
192.04164	1.2
199.14925	1.1
207.06537	6.5
207.10095	7.5
207.13799	18.6
207.17436	1.3
213.68713	1.0
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
51.04237	0.4
53.03934	0.8
53.26643	0.5
55.01874	2.3
55.05513	4.9
57.03435	0.7
65.03952	0.6
67.05504	7.7
69.03419	3.4
69.07065	4.5
71.04971	2.3
79.05483	9.9
81.03406	0.5
81.07051	6.9
83.04981	1.1
83.08640	0.6
85.02892	6.9
87.78101	0.5
91.05467	19.9
93.07027	18.7
95.04955	5.0
95.08604	8.1
97.06526	0.9
99.04456	3.0
103.05446	2.2
105.07019	25.7
107.04964	4.4
107.08590	18.8
108.00706	0.5
109.06499	7.3
109.10147	12.0
111.04465	0.8
115.05467	2.4
116.06248	1.2
117.06968	4.3
118.04149	3.5
118.07761	0.6
118.22984	0.6
119.04934	3.1
119.08559	17.1
121.06500	6.2
121.10117	9.2
123.08080	3.5
123.11691	2.2
125.09678	0.6
128.06218	9.8
129.07004	8.7
130.07768	1.4
131.04913	7.8
131.08533	6.6
133.06496	2.6
133.10117	12.9
135.07990	1.6
137.06012	0.6
137.09599	12.0
139.07509	0.8
143.08559	8.6
145.06467	4.9
145.10153	2.5
146.03616	3.3
146.07263	9.9
147.08043	8.3
147.11688	8.8
148.05170	5.7
149.09647	7.3
149.13261	9.2
151.07587	0.8
151.11189	0.9
156.09355	0.9
157.06505	3.4
159.04431	0.8
159.08014	2.0
159.11661	0.8
161.05962	100.0
161.09587	36.6
161.13275	3.0
165.09106	4.9
165.12782	1.1
171.08101	0.7
174.06726	5.7
189.09076	23.7
189.12675	5.1
189.16356	5.5
207.10243	5.0
207.13768	6.9
207.17412	3.5
221.30240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Benzyl 2-methyl-3-oxobutanoate
Peak:m/z	Relative Intensity
53.03926	0.3
55.05502	1.7
56.48449	0.4
56.96325	0.4
56.96560	5.8
57.07069	0.8
59.04982	0.5
67.05499	0.9
69.03414	2.0
69.07051	0.8
71.04975	44.8
75.45400	0.4
79.05463	0.9
81.03396	2.8
81.07044	2.6
83.04967	0.8
85.02907	0.5
88.74037	0.4
91.05463	2.4
92.09350	0.5
93.07021	3.5
95.04955	0.6
95.08582	2.1
99.04433	100.0
100.04685	0.4
105.07011	6.3
107.08571	2.1
109.06528	0.7
109.10065	0.4
119.08539	4.4
121.06458	5.2
121.10126	1.6
128.06177	4.3
129.02237	0.4
129.06927	0.8
131.08525	0.6
133.10141	1.8
135.04417	0.5
136.38852	0.4
137.51080	0.4
138.02454	0.4
143.08548	6.7
145.06448	0.5
145.10068	0.7
146.07249	1.7
147.03291	2.5
147.08055	2.6
147.11678	1.7
149.09544	3.2
154.34200	0.4
155.07195	0.9
158.07268	0.5
161.09584	8.9
161.13228	0.7
163.06960	0.7
165.04335	0.4
165.12769	0.5
171.08003	0.6
172.08798	0.6
173.09587	1.7
174.06834	0.9
175.07578	0.5
189.09055	4.0
189.16389	0.7
193.05304	0.8
201.72046	0.5
207.10135	1.8
207.13850	1.9
207.17519	0.6
211.06421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
54.81846	1.6
65.03922	7.7
69.03427	2.1
69.07051	2.8
79.05504	1.9
81.07030	2.0
89.03902	2.9
91.05460	100.0
93.07008	8.9
95.04953	2.7
95.08569	1.6
105.06994	6.6
107.08601	1.8
107.39864	1.9
118.04111	12.4
119.04922	71.2
119.08539	6.3
121.10081	1.7
123.08066	2.1
128.96841	1.4
129.06990	2.1
132.02048	7.8
133.10077	2.1
135.04381	6.6
136.05110	1.5
145.02736	1.8
146.03529	1.5
147.04401	46.0
149.02313	14.0
149.09523	2.1
149.13242	2.5
150.03081	1.9
157.04007	5.9
161.05971	6.9
161.09589	2.4
164.04616	10.3
174.03023	1.8
175.03871	43.2
177.01819	5.6
179.06996	6.6
192.04121	22.2
207.06462	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	207.05
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
52.39909	1.6
55.01865	83.8
55.05489	1.4
57.03426	42.7
59.04987	16.1
61.02908	11.9
65.03920	2.8
67.05502	2.7
69.03410	2.5
71.01338	34.8
71.04965	17.7
73.02543	2.3
73.02904	43.8
74.02401	2.3
75.04456	7.4
76.55157	1.5
77.26557	1.4
83.01324	71.7
84.02103	10.2
84.04476	2.7
85.02877	10.4
85.41538	1.6
87.00814	3.1
87.04450	48.6
89.02349	2.8
93.03372	2.1
93.07043	1.9
95.01306	2.4
96.08106	6.0
97.02863	2.2
99.00771	1.8
99.04444	19.9
100.03960	9.2
101.02357	75.2
103.03935	7.1
105.06945	1.8
111.00783	44.8
113.02338	2.2
114.36658	1.8
115.03907	93.9
117.01803	2.4
123.08063	2.6
123.11552	1.4
125.02363	1.4
129.01810	100.0
131.03386	1.7
133.04935	8.3
141.01878	1.7
143.03372	36.4
147.02872	8.8
157.01306	47.5
161.04462	20.3
166.27425	1.5
175.02391	2.8
176.99092	1.8
189.03951	6.1
197.02895	2.5
207.17409	3.4
215.03967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05503	5.5
57.07059	2.2
67.05502	5.7
67.17075	0.5
69.07056	14.3
75.84753	0.6
79.05478	11.7
81.07034	40.7
83.08598	1.4
91.05457	6.4
93.07023	53.4
95.04945	1.1
95.08584	15.0
95.60557	0.6
97.10133	1.3
97.38953	0.6
105.07018	5.2
107.08576	17.3
109.06422	0.9
109.10142	9.2
113.41120	0.7
119.08557	1.0
121.10122	100.0
123.08067	1.2
123.11707	6.7
135.11620	5.4
149.09590	0.8
149.13248	14.3
163.14835	0.7
187.59387	0.6
205.19499	8.8
218.52666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
55.05495	5.6
56.96547	4.2
58.06582	1.0
67.05490	3.8
69.03414	8.4
69.07030	1.5
71.69686	0.8
73.02911	0.9
74.02388	1.1
75.65193	0.7
76.07634	6.6
79.05484	1.1
81.07027	3.1
83.04965	94.3
83.08597	1.3
85.02874	0.9
85.06516	1.0
88.02183	1.2
91.05459	3.2
92.05768	1.2
93.07031	13.6
94.07382	1.4
95.04947	56.5
95.08591	1.6
97.02860	1.0
98.97563	4.5
107.08540	1.5
108.08918	0.8
111.04416	1.4
111.08065	100.0
113.05986	95.0
116.98602	4.3
119.01933	1.0
121.10121	3.6
122.10485	1.9
125.05954	1.0
128.98601	1.9
130.07278	0.9
132.04427	20.3
132.05356	1.4
132.08832	1.6
134.99603	1.2
138.06653	0.9
140.02162	0.8
141.05470	1.4
142.07346	2.0
146.99606	1.9
153.09084	51.9
160.08339	3.9
169.04897	1.4
171.10124	20.2
177.00691	1.3
178.04962	63.0
188.07872	3.9
188.12738	1.0
191.14233	1.0
201.00504	0.9
206.04474	19.3
206.08656	1.1
206.13863	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03930	0.6
55.05504	7.3
57.07066	4.4
67.05492	7.8
69.07052	7.2
71.24114	0.2
77.03887	0.4
79.05470	9.0
81.07037	40.5
83.08607	1.5
91.05448	4.0
93.07020	29.4
95.04960	1.1
95.08582	16.0
97.10149	1.3
100.48230	0.3
105.07020	2.3
107.08577	30.1
109.06487	0.6
109.10139	12.6
119.08536	1.0
121.10119	6.7
123.11680	100.0
124.12052	0.4
135.11668	52.7
145.10077	0.3
147.11591	0.3
149.13234	20.1
188.39771	0.3
205.15938	0.5
205.19487	7.1
211.29689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03935	0.7
53.88040	0.5
55.05501	8.6
55.34616	0.6
56.96548	2.6
57.07058	4.1
67.05495	9.0
69.03410	0.7
69.07059	11.7
79.05476	12.1
81.07040	42.4
83.08621	0.9
84.39211	0.6
90.50573	0.6
91.05458	8.7
93.07027	29.1
95.04970	0.7
95.08588	17.4
97.02913	0.8
97.06510	0.6
105.07024	10.3
107.08585	32.4
109.06493	1.0
109.10149	13.5
109.68256	0.7
117.07001	2.6
119.08546	8.1
121.06499	1.4
121.10110	10.2
123.08073	1.2
123.11688	100.0
129.06970	1.0
131.08557	6.5
133.10120	1.5
135.08038	1.1
135.11673	55.2
136.64165	0.7
142.03514	0.7
145.06509	0.8
145.10091	7.4
147.08075	1.1
147.11696	9.7
147.12787	1.0
148.11983	0.6
149.02336	2.6
149.09592	2.4
149.13235	9.6
159.11674	2.7
161.13240	0.8
163.11137	1.5
187.14798	4.1
205.12227	1.0
205.15932	7.8
205.17694	1.4
205.19556	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	205.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.2
56.72817	0.4
57.07071	0.9
59.71723	0.5
64.84975	0.5
67.05501	4.9
69.07058	11.9
73.33777	0.5
79.05479	10.0
81.07041	45.4
83.08612	2.4
91.05468	4.8
93.07025	49.2
95.08597	15.2
97.10161	1.1
100.07642	0.6
105.07038	4.6
107.08582	16.8
109.10152	9.2
119.08538	1.0
121.10126	100.0
123.11680	4.3
135.11655	4.5
139.30124	0.6
149.13240	15.9
163.14935	0.8
185.86583	0.6
205.19499	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	205.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.2
56.72817	0.4
57.07071	0.9
59.71723	0.5
64.84975	0.5
67.05501	4.9
69.07058	11.9
73.33777	0.5
79.05479	10.0
81.07041	45.4
83.08612	2.4
91.05468	4.8
93.07025	49.2
95.08597	15.2
97.10161	1.1
100.07642	0.6
105.07038	4.6
107.08582	16.8
109.10152	9.2
119.08538	1.0
121.10126	100.0
123.11680	4.3
135.11655	4.5
139.30124	0.6
149.13240	15.9
163.14935	0.8
185.86583	0.6
205.19499	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	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
50.14983	0.5
53.03929	0.8
55.05507	6.4
57.07057	1.2
67.05490	6.5
69.07054	12.6
69.07408	1.0
70.23730	0.5
72.73351	0.7
76.28876	0.5
79.05470	10.6
81.07040	39.6
83.08607	2.7
91.05463	5.8
92.74953	0.5
93.07022	50.2
95.04961	0.8
95.08584	13.8
97.10163	0.9
105.07009	3.5
107.08584	16.3
109.10143	9.4
116.33261	0.6
117.08366	0.5
121.10121	100.0
122.00346	0.5
123.11688	5.0
135.11659	6.6
149.13239	14.2
205.19484	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	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.82981	1.0
53.03921	1.1
55.05507	17.9
57.07053	2.6
66.36041	1.0
67.05502	12.8
69.07051	24.5
79.05476	15.5
81.07035	54.5
83.08607	10.4
91.05451	13.2
93.07026	75.7
95.04974	1.7
95.08583	28.4
97.10150	4.3
105.06341	1.5
105.06992	15.0
107.08573	53.9
109.06506	2.7
109.10148	27.9
110.20620	1.1
119.08576	5.3
120.46388	1.1
121.10120	100.0
121.35090	1.2
123.08081	1.8
123.11691	13.0
130.07700	1.1
131.08533	1.5
135.11653	13.9
138.47488	1.2
145.10156	4.5
147.11684	5.5
149.09599	2.8
149.13240	61.4
163.14841	2.0
187.14874	1.2
205.15923	9.7
205.19498	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	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.6
56.29792	0.4
57.07043	0.6
57.69551	0.3
64.33344	0.4
67.05498	4.5
68.79957	0.4
69.07056	11.8
75.67837	0.4
79.05472	10.5
81.07040	44.9
83.06233	0.4
83.08606	2.6
91.05464	3.6
92.09289	1.0
93.07024	51.2
95.08583	13.2
97.10146	0.7
105.07024	3.3
107.08574	14.1
109.10157	9.2
111.11726	0.5
119.08565	0.9
121.10121	100.0
123.11662	3.7
130.89308	0.4
131.62497	0.5
131.66501	0.5
135.11674	7.1
149.02362	2.1
149.13242	17.3
152.71359	0.5
154.35498	0.4
163.14780	0.6
205.19473	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.58996	1.2
52.14238	1.2
52.39211	1.0
55.05506	20.6
57.07066	16.2
67.05195	1.6
67.05495	29.7
69.07055	35.1
79.05475	25.2
81.07037	100.0
83.08601	9.6
85.20732	1.3
91.05456	7.6
93.07021	71.8
95.04914	2.6
95.08583	90.8
97.10147	6.5
97.70108	1.2
105.07008	7.9
107.08572	82.3
109.09389	2.3
109.10141	50.7
111.11693	1.7
121.09251	3.1
121.10124	96.0
123.10786	3.2
123.11681	97.4
135.11676	42.9
149.13231	92.8
163.14734	1.5
183.58902	1.3
202.75960	1.5
205.19478	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58996	1.2
52.14238	1.2
52.39211	1.0
55.05506	20.6
57.07066	16.2
67.05195	1.6
67.05495	29.7
69.07055	35.1
79.05475	25.2
81.07037	100.0
83.08601	9.6
85.20732	1.3
91.05456	7.6
93.07021	71.8
95.04914	2.6
95.08583	90.8
97.10147	6.5
97.70108	1.2
105.07008	7.9
107.08572	82.3
109.09389	2.3
109.10141	50.7
111.11693	1.7
121.09251	3.1
121.10124	96.0
123.10786	3.2
123.11681	97.4
135.11676	42.9
149.13231	92.8
163.14734	1.5
183.58902	1.3
202.75960	1.5
205.19478	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03930	0.7
55.05496	2.8
57.25157	0.6
64.40076	0.5
67.05487	3.8
69.06712	0.7
69.07053	11.1
79.05473	8.1
79.52647	0.5
81.07041	36.4
83.08601	2.4
91.05447	5.4
91.14535	0.7
93.07026	47.1
95.04939	2.4
95.05524	0.6
95.08589	11.9
97.10101	1.0
105.07005	4.0
107.08578	13.9
109.10122	6.1
109.79084	0.6
119.08559	1.0
121.10123	100.0
123.08012	0.6
123.11672	3.5
135.11685	5.2
149.13246	14.6
163.14798	0.8
163.44620	0.6
176.11278	0.6
177.38803	0.6
179.74202	0.6
183.39661	0.6
205.19531	5.1
217.81795	0.7
222.94444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
51.00053	0.5
54.37777	0.5
54.81911	0.5
55.05508	5.1
57.07070	1.2
57.99503	0.5
62.09831	0.6
67.05498	5.3
69.07050	12.4
79.05471	10.2
81.07040	40.3
83.08602	0.9
91.05454	4.1
93.07027	49.5
95.04961	0.7
95.08588	12.4
97.10175	0.6
105.07023	5.2
107.08579	15.5
109.10148	8.9
119.08569	0.8
121.10123	100.0
123.08060	0.6
123.11649	5.7
135.11685	7.4
149.13248	17.6
205.19492	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	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03923	2.0
55.05504	22.3
57.07061	7.0
67.05490	24.8
69.07053	43.1
79.05476	19.8
81.07040	81.6
83.08166	1.7
83.08577	12.0
91.05470	8.2
93.07022	81.0
95.04952	2.4
95.08586	65.0
97.10152	10.7
105.06993	11.3
107.08579	58.4
109.10133	50.7
111.11749	3.1
119.08537	6.5
121.10123	100.0
123.11669	19.6
135.11652	36.5
145.10056	2.5
147.11676	2.5
149.13242	48.9
149.14296	1.8
163.14835	6.4
173.26295	1.7
205.15825	2.7
205.19479	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05509	9.4
57.07087	2.7
67.05508	10.9
69.07060	21.1
75.77618	1.4
79.05480	13.7
81.07050	64.2
82.07404	1.5
83.08618	3.3
84.48602	1.5
91.05473	9.5
91.39172	1.3
92.08672	3.5
93.07036	62.9
95.04948	2.1
95.08588	37.7
97.10155	5.3
105.07033	11.1
106.07333	2.3
107.08583	30.2
109.10158	19.2
119.01935	2.4
119.08572	8.6
121.10132	100.0
123.11674	6.0
131.08600	2.2
135.11656	10.6
142.03502	2.1
145.10164	6.0
147.11739	3.6
149.09607	3.0
149.13258	25.6
159.11627	1.6
187.14888	2.1
189.77371	1.5
205.14201	1.5
205.15909	9.3
205.19647	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.18662	1.4
50.69526	1.5
54.82020	1.6
55.05501	12.3
67.05501	14.8
69.07056	15.3
71.04980	3.5
79.05479	9.1
80.62095	2.0
81.07043	16.4
83.08594	2.4
91.05466	25.6
93.07036	24.5
94.24480	1.9
95.04966	3.9
95.08582	21.6
105.07016	78.3
107.08570	35.2
109.06527	2.6
109.10144	2.7
117.07021	9.9
119.08562	69.2
121.06499	8.5
121.10115	18.6
123.03947	2.1
123.08044	14.2
123.11678	6.6
129.06979	3.2
131.08557	15.1
132.09299	2.8
133.10118	14.1
135.07985	4.5
135.11685	4.7
137.09579	2.4
143.08554	3.5
145.10095	45.9
147.08035	7.0
147.11670	100.0
149.09610	17.1
159.11633	8.0
161.09578	2.0
161.13277	2.3
162.10361	9.3
162.37106	1.9
163.11165	9.8
173.76151	1.9
177.16432	3.6
187.14810	19.6
205.15857	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.95084	1.2
53.00293	1.9
53.03948	2.8
54.30761	1.3
55.01872	15.1
55.05503	15.4
57.03421	2.3
57.07066	3.3
59.30196	1.6
67.05488	17.8
67.05795	1.7
67.74571	1.6
69.03413	3.4
69.07056	19.7
71.04983	23.5
79.05483	28.9
81.07044	42.7
83.04967	3.1
83.08601	10.5
84.33701	1.6
91.04957	2.8
91.05466	43.2
92.09331	4.4
93.07024	66.9
95.04989	11.9
95.08592	31.9
97.06516	7.7
103.05483	2.1
103.97423	1.5
105.07013	73.0
105.22208	1.6
106.07370	2.5
107.04943	7.3
107.08586	51.5
108.08897	1.6
109.06506	10.1
109.10166	9.9
111.08099	3.5
117.07008	21.1
119.08566	100.0
121.06486	21.9
121.09270	3.1
121.10123	46.8
123.08070	10.0
123.11712	11.9
125.09692	2.1
129.07047	2.3
130.07732	3.5
131.08563	26.3
133.10091	22.6
135.08044	12.5
135.11661	17.9
137.09590	6.7
143.08537	2.5
144.09366	1.9
145.06441	1.8
145.10107	56.1
147.08023	7.0
147.11655	32.3
148.11943	1.8
149.05963	13.9
149.09625	10.8
149.13313	5.5
157.10164	2.8
159.08080	2.5
159.11658	13.6
161.13254	9.9
162.10373	3.3
163.07538	6.4
163.11186	11.5
163.14882	1.9
172.12474	2.7
177.12787	3.1
177.16373	2.9
187.14780	23.4
204.18073	2.1
205.12206	16.5
205.15872	49.4
205.17967	2.2
205.18610	2.1
225.19421	1.7
227.69286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusitone
Peak:m/z	Relative Intensity
52.71117	1.8
54.30644	2.0
55.01068	2.6
55.05507	21.0
55.05722	1.9
55.81600	2.1
56.96533	2.6
57.07079	3.7
59.05000	2.8
62.57980	2.1
63.81678	2.2
66.19014	2.1
67.05487	13.8
69.03441	4.0
69.07047	51.3
71.04964	10.0
71.91481	2.2
79.05476	25.0
81.07040	41.0
83.04954	2.4
83.08571	3.9
85.06545	3.8
86.11787	2.2
88.88411	2.4
91.05456	29.9
93.07032	40.8
94.30045	2.3
95.04950	4.1
95.08580	37.6
97.06516	3.8
97.10133	2.5
105.07016	97.8
107.04929	44.7
107.08582	52.4
109.06524	11.4
109.10143	20.7
111.08073	3.9
111.11707	4.9
113.53228	2.7
117.07014	15.0
119.08553	68.8
121.06463	36.2
121.10130	45.2
123.08026	13.6
123.11704	5.7
130.07813	3.3
131.08540	26.1
132.49255	2.8
133.06523	2.7
133.10132	22.0
135.08046	16.7
135.11694	13.8
137.09650	3.2
143.08525	5.9
144.09334	3.9
145.08997	3.3
145.10100	64.4
147.08060	16.1
147.11681	71.3
149.09581	24.8
159.11652	20.2
161.09627	3.5
161.13263	5.7
162.10356	10.6
163.11179	22.3
163.14801	10.7
177.12730	3.9
177.16365	5.7
187.14801	34.6
205.15846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.64946	0.5
51.47285	0.5
52.73891	0.5
53.03924	0.8
53.37962	0.5
55.01860	1.4
55.05499	7.9
56.96547	0.8
57.03442	0.6
57.07060	2.9
65.03909	0.8
66.30625	0.5
67.05491	12.0
69.03406	1.1
69.07059	10.9
79.05472	11.2
81.07034	24.2
83.04956	4.6
83.08582	1.0
83.54314	0.6
91.05460	21.5
93.07025	28.4
95.04928	2.9
95.08006	0.9
95.08585	20.2
97.06504	3.1
103.05456	1.0
105.07011	38.9
107.04929	2.4
107.08582	22.1
109.06496	5.1
109.10141	5.1
110.00496	0.5
115.05446	1.2
116.06197	1.4
117.06996	12.3
119.08560	52.2
121.06472	2.5
121.10122	8.3
123.08051	18.1
123.11655	7.6
128.06178	0.7
129.07008	4.3
130.07768	4.7
131.08543	100.0
133.10098	7.8
135.08032	3.2
135.11681	5.0
143.08514	4.2
144.09288	0.6
145.10104	86.4
146.10780	0.7
147.08073	0.9
147.11679	7.8
149.09608	10.8
149.13234	2.9
157.10062	1.2
159.11664	14.3
161.13228	10.7
162.10461	0.9
163.11159	2.5
163.14784	0.8
185.13261	1.2
187.14780	66.5
205.12238	1.0
205.15839	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.69742	2.0
54.94987	2.6
55.05507	25.2
56.96552	5.6
57.07070	4.0
57.33182	1.9
61.68223	1.8
64.75343	2.1
65.73854	2.1
67.05502	23.2
69.07059	24.1
71.04980	5.4
74.96442	2.5
79.05477	34.3
81.07042	43.1
83.04929	2.4
83.08610	2.8
85.06521	4.1
91.05469	45.3
92.08768	3.2
93.07030	53.9
95.04939	5.7
95.08589	46.1
96.08903	2.6
97.06520	11.3
97.10138	2.1
99.66846	1.9
100.96500	2.2
103.05499	3.0
105.07016	95.7
106.07359	4.0
107.08588	58.3
108.08916	2.9
108.99108	2.1
109.06526	4.5
109.10134	23.6
117.07005	22.0
119.08563	88.3
120.08920	3.2
121.06508	9.9
121.10125	57.2
123.08073	9.1
123.11704	13.0
130.07784	4.7
131.08545	30.8
131.46596	2.5
133.10136	10.6
135.04431	2.8
135.08092	4.1
135.11673	15.7
137.09592	3.6
144.09380	3.6
145.10112	69.8
147.11676	100.0
148.12065	4.7
149.02388	4.9
149.09641	11.9
149.13310	3.7
156.26410	2.5
156.78072	2.4
159.11607	18.4
159.16376	2.3
161.13261	13.6
163.11172	9.8
163.14833	4.3
172.12524	3.2
177.12715	4.1
177.16286	3.3
187.11136	2.5
187.14780	35.7
204.18359	4.3
205.12282	5.3
205.15871	63.1
214.87982	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	205.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.6
53.03925	1.1
55.01863	1.1
55.05499	2.4
56.96565	1.3
57.03417	0.7
57.07064	0.8
59.04982	1.2
63.26717	0.5
64.33442	0.6
65.03919	0.8
65.42601	0.5
67.05493	15.6
69.03410	2.3
69.07057	68.7
71.04981	14.1
79.05476	6.8
81.03407	0.6
81.07039	25.8
83.08612	0.7
85.02901	2.2
85.06538	1.0
91.05481	7.9
92.63942	0.6
93.07033	12.2
95.04940	3.5
95.08584	8.1
97.02859	1.2
97.04790	0.6
97.06521	2.5
98.97592	0.9
99.08131	0.6
103.05403	0.6
105.06998	7.3
107.04961	0.8
107.08573	15.6
109.06480	1.4
109.10145	100.0
111.08079	1.4
111.11666	0.7
113.05997	3.8
113.14271	0.6
114.37196	0.6
115.05439	0.6
117.06982	2.5
119.08566	1.3
121.06492	3.5
121.10127	12.3
123.04407	0.6
123.08057	1.1
123.11697	15.8
127.07521	0.7
127.11159	7.1
129.07013	0.8
131.08545	5.8
133.10123	3.8
135.07983	0.7
135.11653	0.8
139.11166	3.4
145.10114	1.3
147.07993	0.9
147.11658	0.9
149.02339	4.4
149.05965	2.3
149.09595	1.3
149.13277	1.4
151.11189	8.6
159.08003	1.0
159.11694	2.9
161.02940	0.5
161.05948	1.0
161.09604	0.9
163.11116	1.2
167.01936	0.5
169.12219	8.0
177.05486	0.7
177.12759	0.7
187.13182	2.5
187.14769	0.8
205.08601	1.2
205.12158	2.3
205.15901	5.5
205.19563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Gibbilimbol C
Peak:m/z	Relative Intensity
53.03930	1.3
55.01861	1.6
55.05505	5.2
66.60059	0.6
67.05499	9.1
69.03418	1.7
69.07055	9.3
71.40806	0.6
71.76393	0.8
79.05473	9.5
81.01038	0.8
81.06596	1.1
81.07043	20.4
82.39565	0.7
83.04958	1.7
83.08595	1.8
83.26010	0.7
85.35522	0.7
91.05470	12.9
93.07021	23.7
95.04955	7.2
95.08585	9.0
97.06496	4.0
102.07323	0.7
103.05428	7.7
103.75008	0.8
105.04447	0.7
105.07025	11.3
107.04941	84.7
107.08575	9.0
109.06487	3.6
109.10145	6.5
117.06992	3.0
119.08566	7.9
121.06486	100.0
121.10129	7.7
123.08023	1.7
123.11668	3.5
130.07744	0.9
130.71123	0.8
131.08600	6.5
131.09430	1.1
133.07549	0.7
133.10117	1.7
135.08040	6.2
135.11694	1.6
137.09538	1.0
145.10088	7.5
147.07996	1.4
147.11707	7.1
149.02275	1.6
149.09613	11.6
161.13324	1.4
162.10353	0.9
163.11131	3.2
187.14761	5.0
189.92459	0.8
205.15869	25.5
213.23857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03941	1.5
55.01866	13.4
55.05504	9.3
56.96550	2.8
57.03408	2.3
57.07055	1.1
57.12823	1.0
59.04990	2.8
60.17577	1.0
63.00758	1.2
65.03949	1.0
67.05492	18.4
68.73981	1.4
69.03416	98.4
69.07040	8.2
71.04983	2.0
71.40654	1.2
71.46653	1.1
72.72849	1.0
79.05470	13.8
81.07040	27.2
83.04967	3.1
83.08636	1.5
91.05468	23.2
93.07038	25.0
95.04934	6.9
95.08594	31.8
97.06532	1.8
98.97550	8.6
105.07018	38.4
105.37229	1.5
107.04933	2.2
107.08591	23.2
107.91415	1.2
109.06495	7.4
109.10170	2.6
111.04385	1.4
111.08054	1.5
115.05436	5.2
116.98603	2.4
117.07016	11.3
119.08565	18.5
121.06486	16.5
121.10114	14.7
123.08068	4.7
129.06970	7.3
130.07767	2.7
131.08559	20.8
131.97478	1.3
133.10114	14.0
135.08025	14.7
135.11644	3.0
137.09599	3.0
137.57300	1.1
143.08540	2.0
144.09370	8.8
145.06467	2.9
145.10114	19.6
147.08054	6.2
147.11691	11.7
149.02351	2.7
149.05939	1.9
149.09586	13.4
153.14728	1.4
157.10144	1.9
159.11658	21.4
160.08794	2.8
161.05969	1.7
161.09601	5.1
161.13217	2.6
163.07567	1.9
163.11127	5.5
172.08801	5.9
175.11194	1.9
177.12718	6.0
181.08437	1.7
187.11174	5.0
187.14751	5.1
205.12218	100.0
205.15762	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	204.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.0
53.03935	1.0
55.01849	0.8
55.05508	7.1
56.96570	1.1
57.03405	1.7
57.07063	4.6
59.04987	10.5
65.03932	0.9
67.05489	29.0
68.42107	1.0
69.07055	7.3
71.04676	1.0
71.04974	39.1
79.05478	13.1
81.07037	87.6
81.36648	1.1
83.04973	3.8
91.05462	17.6
93.07019	34.3
95.04970	9.0
95.08585	22.1
99.08058	1.2
105.07011	33.0
107.08575	100.0
109.06505	15.5
109.10143	40.0
111.08084	1.1
113.05992	1.4
120.08875	1.1
121.06444	0.9
121.10126	1.7
123.08060	4.9
123.11681	55.0
125.30225	0.9
131.08551	1.2
133.10109	39.9
151.11157	61.4
169.12210	42.1
169.13669	1.8
182.14018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0859
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
51.34358	1.1
54.81725	1.4
55.01876	12.5
58.11340	1.1
69.83899	1.2
71.01337	15.8
79.05468	1.3
81.07039	2.3
85.02908	1.3
91.05466	52.4
97.02826	1.6
103.05450	2.4
105.06991	6.4
107.08620	1.3
115.04655	2.1
115.05412	24.8
116.06261	13.5
117.07001	15.7
119.08562	5.0
121.10166	1.5
128.04903	1.4
128.06178	8.7
129.06993	24.8
130.07790	1.6
131.04919	10.0
131.08548	68.2
133.06479	1.5
139.01799	2.5
141.06984	72.9
144.05698	37.9
145.06477	6.3
145.10115	3.1
147.11713	15.4
149.02324	9.8
157.06538	11.4
158.07230	19.2
159.08032	79.2
163.01781	3.2
169.06439	12.2
169.07628	4.8
177.09024	2.6
181.02838	11.3
187.07521	100.0
188.07068	2.0
194.42963	1.3
205.08549	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	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
54.54258	0.3
55.52200	0.4
74.02400	2.4
81.07059	0.8
90.11542	0.4
91.05447	2.3
112.73548	0.4
115.05440	3.6
117.05723	1.1
117.06985	3.9
118.06519	64.7
130.06488	5.1
132.08058	13.5
142.06493	6.7
143.07263	9.6
144.04417	1.1
144.06934	1.0
144.08064	25.2
145.06416	0.6
146.05984	100.0
159.09148	10.8
160.07578	1.0
170.05971	10.3
188.07030	63.0
203.24171	0.5
205.09715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03936	3.9
55.05503	3.5
56.96537	1.0
57.03417	1.2
57.07071	1.1
59.04985	3.9
67.05479	9.8
68.05828	1.3
69.03411	4.0
69.07053	3.8
71.04970	11.2
72.05303	2.1
77.75041	0.8
79.05460	7.3
79.93842	0.7
81.03416	1.2
81.07034	29.4
82.07359	6.8
83.04949	1.3
87.24062	0.8
89.27787	0.8
91.05458	26.6
92.05821	1.3
93.07021	87.5
94.07327	1.9
95.04942	9.8
95.08559	9.5
96.08928	1.2
97.02892	1.5
97.06479	1.2
98.97560	0.9
105.04519	0.9
105.07002	17.8
106.07320	1.9
107.08572	28.0
108.08901	10.2
109.06506	10.7
109.10151	10.6
110.06803	1.2
110.10432	4.0
117.07003	4.8
119.08546	8.8
121.06479	100.0
121.10129	9.4
123.11671	8.3
124.12032	7.0
129.06941	3.6
131.08566	6.1
133.10107	11.1
134.10428	5.5
135.08017	1.7
135.11676	2.0
143.08607	2.0
144.09320	5.5
145.10101	11.4
147.08043	0.9
147.11671	3.8
149.02301	3.3
149.09654	1.0
149.13184	1.1
151.11168	11.4
152.11452	7.0
159.11636	11.3
161.13229	1.0
163.11194	1.8
169.12225	3.8
170.12550	5.5
172.08879	1.1
175.53017	1.1
177.12811	1.6
187.11183	3.9
187.14781	2.2
205.12215	24.3
205.15865	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	204.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00023	1.5
51.06593	1.1
53.00273	1.0
53.03938	1.4
54.81639	1.3
55.05494	7.3
56.96544	7.1
57.03410	1.5
57.07059	6.1
59.04985	11.3
60.04514	2.2
64.29650	1.4
67.05494	28.0
69.03426	1.9
69.07037	12.5
71.04975	42.4
72.93788	1.8
79.01535	1.6
79.05461	13.1
81.03374	2.2
81.07036	100.0
83.04953	2.3
84.04470	2.0
85.02885	1.6
91.05444	21.5
93.07030	30.5
95.04955	7.6
95.08573	25.1
96.97155	1.5
97.02868	1.5
97.06521	1.6
99.04433	1.8
99.08019	2.3
102.96861	2.0
105.07023	31.1
107.08574	96.8
109.06524	14.3
109.10137	47.1
111.08096	2.5
113.05952	2.4
115.83959	1.4
119.08538	2.5
121.10141	2.5
123.08058	3.0
123.11684	62.8
127.11145	6.3
131.08531	2.7
133.10107	42.5
151.11150	59.6
169.12192	38.1
204.08719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.96553	0.9
57.03406	0.7
57.07069	1.5
59.04996	10.5
60.04514	0.8
61.02920	5.5
67.05492	10.8
69.03426	0.8
69.07084	0.6
71.05008	1.1
78.92564	0.7
79.05479	4.2
81.07041	26.6
83.08597	0.9
91.05475	11.3
93.07024	26.7
95.04959	3.2
95.08577	6.4
96.04466	1.3
98.97559	3.5
102.96901	1.2
105.07011	10.9
107.08581	100.0
109.06516	7.6
109.09405	1.0
109.10146	30.8
111.08054	9.6
116.98599	1.1
119.04920	1.3
123.08056	3.7
123.11691	43.5
133.10104	20.6
133.56041	0.6
147.04401	4.0
148.04755	0.9
151.11163	60.7
168.13814	0.8
169.12225	3.0
177.00629	0.6
186.14983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03753	0.1
52.39241	0.2
53.03944	1.5
54.81787	0.2
55.05509	5.0
59.04985	0.8
60.04504	0.2
63.06014	0.2
64.30808	0.2
65.03924	0.5
67.05490	1.7
67.71446	0.2
69.03404	0.9
69.07054	0.3
71.04977	11.4
73.06533	0.2
75.67522	0.2
78.85168	0.2
79.05476	15.9
79.42769	0.2
81.07040	100.0
82.07397	0.2
83.04965	9.2
83.08611	1.6
84.04507	0.2
84.08154	0.2
85.02908	0.4
87.04454	0.3
89.93015	0.2
91.05460	2.5
93.07025	10.9
95.04948	0.5
95.08594	1.2
97.02856	0.7
99.08089	0.3
101.05999	2.6
105.07017	3.3
105.34589	0.2
107.08565	1.6
109.06532	0.2
109.10162	0.8
112.33253	0.2
121.10117	0.4
123.08064	0.2
123.11652	2.2
133.10124	2.7
151.11192	0.8
159.19310	0.2
204.08739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.53372	0.7
55.05497	4.7
57.07056	5.7
58.54020	0.9
58.61206	0.8
59.04989	51.7
59.36448	0.9
61.02887	1.1
61.19926	0.9
63.52822	0.9
65.03903	1.0
67.05489	21.9
69.03400	1.2
69.07037	2.0
70.04531	0.8
70.64697	0.8
79.05459	5.6
81.07040	53.5
81.07523	1.7
82.56843	0.8
83.08599	4.2
84.04491	3.4
85.06517	1.1
91.05469	14.7
91.75132	0.8
93.07025	65.7
95.04958	9.0
95.08587	9.1
102.96854	1.2
105.07012	15.2
107.07870	2.1
107.08577	52.3
109.06497	13.0
109.10144	37.6
110.09647	1.0
111.08064	52.1
121.10095	1.0
121.96561	1.1
123.08022	4.1
123.11687	100.0
133.10098	18.8
151.11163	65.2
151.12125	1.0
158.69093	0.9
163.01759	1.1
163.11984	1.0
169.12184	8.9
179.58826	1.0
204.08621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88800	1.1
55.05507	1.9
56.96561	1.5
57.07068	1.7
58.12901	1.4
58.71370	1.2
59.04988	15.3
61.05217	1.3
67.05490	11.0
69.07043	1.7
73.68989	1.1
79.05471	6.1
81.06603	2.0
81.07043	31.9
86.56686	1.5
91.05460	18.7
93.07019	52.8
95.04935	2.8
95.08585	7.5
98.97594	1.9
98.98216	1.6
105.07005	19.9
107.08581	100.0
109.06516	9.4
109.10160	13.8
112.22307	1.5
123.08085	3.3
123.11701	17.4
125.55701	1.3
133.10097	27.8
151.11165	44.7
169.12166	2.2
204.15886	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	204.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
53.56804	0.4
55.05494	1.5
57.03429	3.0
59.04988	49.8
60.04499	0.5
61.49553	0.3
67.05486	5.1
71.04974	0.4
79.05476	7.8
81.07039	14.5
91.05460	33.4
93.07022	100.0
95.04946	5.1
95.08581	8.0
96.04462	0.4
97.02866	0.7
105.04506	0.6
105.07008	21.7
107.08572	6.9
109.06525	0.6
109.10132	0.9
115.82501	0.3
118.07768	0.4
121.10104	1.5
123.08042	0.4
123.11691	5.3
131.08522	1.4
133.10101	34.1
136.46890	0.4
151.11156	8.6
163.01646	0.4
169.12199	7.8
186.14859	1.8
209.23341	0.5
212.07072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05499	0.6
57.03430	2.9
59.04990	49.8
67.05490	5.4
70.91338	0.4
76.23591	0.4
79.05467	7.3
81.06596	0.8
81.07039	13.8
85.02856	0.4
85.42021	0.3
91.05462	32.2
92.08742	0.5
93.07023	100.0
94.07326	0.4
95.04949	5.1
95.08571	7.5
105.04501	0.7
105.07012	20.1
107.08581	6.1
109.06551	0.4
109.10154	0.8
121.10122	1.8
123.11684	5.9
131.08508	0.7
133.10106	33.1
151.11176	7.9
169.12196	6.6
186.14926	0.9
218.89769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.93744	1.1
54.81716	1.3
55.05504	10.8
57.07066	1.7
60.37798	1.3
60.51867	1.2
67.05495	9.8
69.07056	13.8
79.05480	7.1
81.07038	20.5
82.34210	1.4
91.05453	17.1
92.08769	1.8
93.07014	13.5
95.04943	1.5
95.08585	18.7
103.86266	1.5
105.07014	100.0
107.08571	14.0
109.10144	14.7
117.07016	3.1
117.61169	1.3
119.07713	2.9
119.08563	86.2
121.10152	6.5
123.11696	2.0
128.26323	1.6
133.10115	13.0
145.10121	8.8
147.11673	71.2
160.12422	1.6
161.13220	11.6
203.17929	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
51.38874	1.6
53.03920	2.5
55.01848	4.9
55.05499	2.6
56.05023	18.0
57.03427	23.6
60.04242	2.6
60.04517	47.8
61.02904	14.9
67.05486	2.2
68.05014	49.3
69.03410	14.8
70.06573	54.7
71.04983	23.2
71.06094	8.8
72.04494	5.4
73.02888	12.6
80.04971	3.7
81.03391	11.1
82.06562	3.3
82.14584	2.5
83.01318	3.2
83.89616	2.2
84.04028	3.8
84.04493	71.8
85.02889	50.0
86.06054	10.4
86.09653	3.3
88.03964	10.6
96.03864	4.1
96.04467	95.8
97.02863	96.3
98.06040	25.1
98.09660	5.4
99.04427	10.2
100.03953	3.0
102.05524	3.7
103.03919	28.7
105.07002	3.1
109.02856	9.6
110.06010	15.4
112.07574	8.8
112.11172	3.2
114.05506	92.5
119.08557	3.0
122.05984	2.7
122.57790	2.3
126.05486	73.3
127.03856	14.2
130.05017	2.5
138.04428	4.7
138.05475	99.5
140.07059	4.5
140.10710	4.9
144.06541	36.1
145.04947	2.5
147.11726	3.7
153.80022	2.3
156.06477	3.5
158.08101	48.7
158.11710	18.6
158.12837	18.9
167.56966	2.3
168.06575	20.8
173.02968	3.5
185.02892	2.5
186.07584	15.7
204.03169	4.1
204.05621	7.5
204.08647	100.0
204.13548	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
54.53667	1.3
55.05509	10.7
57.07081	1.6
61.27216	1.2
66.27305	1.3
67.05502	21.6
69.07060	12.9
76.56467	1.6
79.05484	10.4
80.49374	1.3
81.07043	51.2
84.65504	1.4
91.05463	20.5
93.07033	23.3
95.08008	2.8
95.08594	60.2
98.06318	1.3
105.07023	63.0
107.08580	49.0
109.10147	39.6
109.10863	2.7
117.06974	1.6
119.08567	47.4
121.10125	15.4
123.11691	11.9
131.08479	1.5
133.10114	26.4
135.11662	2.3
144.38559	1.6
145.10107	7.1
147.11671	100.0
160.12485	1.6
161.13243	12.9
175.14777	7.9
181.13257	1.6
203.14343	2.3
203.17935	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.46276	0.9
53.03931	1.0
54.01106	1.1
55.05500	13.3
57.07061	2.2
59.01477	1.0
67.05493	21.2
69.06709	1.6
69.07053	24.4
79.05475	9.7
81.07037	60.7
83.08598	4.6
90.52242	1.1
91.05469	19.1
93.07029	21.9
95.04931	1.7
95.08586	32.2
105.07014	100.0
107.08576	20.0
109.10142	32.1
117.07012	2.4
119.08562	91.9
121.10127	15.5
123.11683	15.4
131.08553	4.8
133.10112	43.4
135.11658	2.2
145.10074	16.6
147.11671	69.0
159.11670	4.4
160.12442	7.1
161.13225	17.6
161.90324	1.0
203.17911	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05499	5.1
57.07054	1.3
61.65286	0.7
62.00828	0.6
65.03906	0.7
67.05193	0.8
67.05493	12.6
67.83440	0.6
69.07054	6.4
71.65044	0.9
76.03151	0.7
79.05482	7.6
81.07040	28.9
91.05447	14.5
93.07030	11.6
95.08582	46.1
105.07011	46.0
107.08577	27.0
109.06489	1.0
109.10142	26.4
117.07008	2.9
119.08561	36.5
121.10120	9.7
123.11700	13.4
125.02821	0.9
131.08530	3.8
133.10106	17.3
133.23427	0.7
145.10110	7.0
147.11667	100.0
157.10164	1.1
159.11653	1.4
160.12514	1.0
161.09583	0.9
161.13226	12.5
175.14813	3.1
203.14191	1.7
203.17934	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
54.37708	1.7
55.05499	11.4
57.07057	3.0
61.93518	1.6
67.05486	13.1
69.06771	2.1
69.07059	32.3
71.53278	1.8
79.05483	8.9
81.07040	65.5
82.90898	1.8
83.08573	4.1
91.05457	19.9
92.83430	2.0
93.07026	20.8
95.08596	34.0
103.05443	2.0
105.07017	88.0
107.08575	23.1
109.10136	20.5
115.04029	2.1
119.08561	59.1
121.10119	18.0
123.11692	7.9
131.08516	4.4
132.09291	3.3
133.10107	58.3
135.11685	2.9
142.61699	1.8
145.10135	26.7
147.11678	100.0
159.11671	11.1
160.12503	19.2
161.13254	28.7
203.17923	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	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.01886	1.7
55.05489	10.3
60.68873	1.6
63.17477	1.4
67.05487	31.4
69.07059	19.7
79.05492	13.2
81.07038	60.4
83.08604	2.3
91.05451	22.7
91.15378	1.7
93.07023	35.3
95.08009	3.5
95.08590	81.0
105.07018	100.0
107.08572	45.2
109.10140	53.0
117.07000	3.0
119.07715	2.7
119.08561	72.1
121.10117	21.5
123.11681	11.7
131.08565	1.9
133.10089	37.5
135.11678	4.2
138.45793	2.0
145.10088	6.4
147.11665	79.1
159.11699	2.3
161.13254	23.6
175.14818	11.1
203.17943	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.28764	1.7
53.06352	1.4
55.05507	13.5
58.73386	1.5
66.15430	1.6
66.70542	1.4
67.05206	1.6
67.05502	21.3
68.65562	1.5
69.07059	24.4
75.22202	1.9
79.05469	9.1
81.07043	65.6
83.08592	2.2
91.05473	21.1
93.07023	18.2
95.08581	37.5
105.07017	100.0
107.08566	24.9
109.10139	32.7
117.07003	3.9
119.08565	89.5
121.10121	18.4
123.11707	12.5
131.08514	3.4
133.10114	38.0
143.08502	1.8
145.10103	14.0
147.11667	69.7
159.11710	3.5
160.12462	7.4
161.13252	17.6
162.00288	1.6
175.14799	3.0
203.14145	2.2
203.17937	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05499	8.7
57.07059	6.3
67.05487	14.9
69.07056	12.4
72.56602	1.3
79.05481	8.2
79.21254	1.2
81.07032	27.9
83.08587	2.2
91.05456	19.4
93.07021	13.2
95.08582	26.1
105.07007	100.0
107.08569	16.3
109.10130	27.1
115.26091	1.2
117.07032	2.0
119.08549	45.4
121.10120	10.3
121.58907	1.2
123.11639	3.1
131.08521	2.4
133.10106	45.6
145.10115	5.7
146.00435	1.6
146.77313	1.4
147.11659	78.8
159.11728	1.9
161.13190	22.3
175.14801	7.8
203.17906	50.7
203.19695	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.72712	1.0
52.91444	1.2
55.05503	12.0
59.53768	1.3
62.54421	1.3
67.05491	22.1
69.07057	19.1
73.57980	1.4
79.05494	10.5
81.07036	46.7
81.07475	2.2
83.08617	1.9
91.05450	24.6
93.07026	20.8
95.05005	1.4
95.08585	51.3
95.09200	1.8
105.07010	90.3
107.08575	23.2
109.10139	34.0
113.20579	1.3
114.37768	1.5
117.07024	1.6
119.08555	61.1
121.10123	14.7
123.11687	13.9
131.08548	2.1
133.10107	30.2
135.11662	5.2
145.10080	7.5
147.11664	100.0
148.08330	1.4
159.11682	1.6
161.13197	13.3
162.22186	1.6
164.42303	1.3
175.14766	2.9
187.38823	1.4
203.17934	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03940	1.4
55.05507	13.8
56.89839	1.1
57.07064	3.0
61.85909	1.1
67.05489	21.5
69.07056	27.4
79.05474	9.0
81.07042	56.2
83.08595	2.4
91.05453	20.7
93.07013	18.6
94.71358	1.3
95.04921	1.2
95.08584	50.4
105.07016	100.0
107.08581	24.5
109.10140	32.8
117.07000	2.8
119.08562	88.4
121.10145	14.1
123.11693	11.2
131.08540	6.3
133.10115	42.9
133.10925	1.1
138.21368	1.3
145.10103	13.1
147.11674	59.2
159.11673	2.4
160.12428	6.6
161.13237	18.0
175.14790	3.0
203.17920	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.06880	1.3
55.05500	14.3
60.36666	1.6
67.05494	18.9
68.54093	1.7
69.07054	27.7
76.49540	1.6
79.05480	10.8
81.07039	62.1
83.08610	3.2
91.05462	23.3
93.07016	22.2
95.08582	28.5
96.84233	1.5
105.07010	100.0
107.08554	21.5
109.10143	37.3
110.08347	1.7
117.06961	5.5
119.08559	82.8
121.10143	14.8
123.11701	10.2
131.08563	3.0
133.10109	48.8
145.10130	12.7
147.11671	77.1
159.11697	3.2
160.12515	3.8
161.13200	15.8
164.31133	1.7
167.29185	1.8
175.14790	2.6
203.17900	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03934	2.0
54.13333	1.4
55.05502	15.6
63.54644	1.4
67.05495	22.0
69.07054	24.0
69.89201	1.5
73.92185	1.5
74.82827	1.7
79.05452	11.4
81.07043	63.3
83.08587	3.8
91.05468	20.5
93.07030	20.0
95.08584	38.8
105.07014	100.0
107.08567	22.5
109.10153	36.0
117.06974	7.3
119.08558	91.2
121.10130	14.3
123.11656	14.2
131.08556	3.3
133.10097	39.2
135.11664	3.4
145.10117	19.0
147.11670	81.1
153.94820	2.1
159.11693	6.4
160.12434	3.7
161.13231	17.2
164.13603	1.7
175.14803	1.9
181.68721	2.0
203.17912	31.6
203.28224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05513	13.2
56.26855	1.0
57.07057	2.1
65.03949	1.1
67.05494	19.1
69.07059	23.8
79.05461	10.2
81.07042	66.4
83.08624	6.7
91.05466	22.3
91.21064	1.2
93.07040	17.6
95.08593	37.4
105.07020	100.0
107.08576	21.9
109.10146	33.5
117.07022	6.8
118.66893	1.1
119.08567	95.3
121.10118	19.4
123.11695	13.4
131.08560	7.2
133.10115	47.4
135.11681	4.8
145.10107	10.7
147.11676	82.9
159.11714	2.5
160.12451	7.0
161.13228	20.4
175.14975	1.5
203.17947	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.07317	1.3
55.05500	7.6
55.54753	1.3
57.07068	3.3
67.05489	15.0
69.07057	20.2
79.05466	7.9
81.07043	27.6
83.08595	3.4
91.05476	16.0
92.57205	1.5
93.07023	15.2
95.08586	37.5
105.07015	100.0
107.08582	14.4
109.10161	17.7
109.32945	1.4
119.08566	62.5
121.10136	14.1
123.11679	7.7
125.08737	1.5
131.08545	2.0
133.09183	2.9
133.10109	56.9
135.11650	2.5
145.10132	6.3
147.11667	51.8
159.11719	2.1
160.12476	2.2
161.13217	13.8
175.14806	9.2
186.16093	1.7
203.17912	52.7
203.19710	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.78708	1.5
54.18252	1.0
55.05497	9.4
57.07063	1.4
64.33293	2.0
67.05492	33.0
69.07063	13.2
79.05486	12.4
79.17867	1.3
81.07040	48.4
83.08619	3.1
91.05450	25.8
93.07021	19.2
95.08591	63.8
95.21658	1.4
100.12660	1.5
105.07017	100.0
107.08583	36.6
107.80813	1.4
109.10145	45.7
117.07040	1.5
119.07717	2.5
119.08564	59.9
121.10138	13.7
121.10847	1.4
123.11687	6.5
133.10118	31.9
135.11650	5.9
136.31615	1.4
137.13211	1.8
145.10094	2.0
147.11673	52.6
147.12711	2.6
152.68285	1.5
159.00838	1.4
161.13248	11.9
175.14798	7.8
189.49866	1.3
203.17931	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
54.81602	2.1
55.05500	13.3
57.07063	2.8
67.05502	22.8
69.07050	26.5
77.87205	1.8
79.05471	14.3
81.07044	78.4
83.08588	3.2
91.05447	23.5
93.07027	29.5
95.08014	3.0
95.08593	70.7
95.96983	2.2
102.32905	2.0
105.07016	98.3
107.08577	40.0
107.48436	2.1
109.10146	37.7
117.06982	4.5
119.08569	100.0
121.10110	24.3
123.11703	9.8
124.77822	2.0
128.77045	2.1
130.79637	1.9
131.08554	5.0
133.10129	52.2
133.11143	2.8
135.11710	8.8
143.08562	2.6
145.10112	20.2
147.08096	2.4
147.11673	91.0
159.11639	9.1
160.12460	3.9
161.13242	19.2
175.14746	3.9
203.07973	2.0
203.14369	5.1
203.17981	72.6
203.22031	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	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.00302	0.9
53.03939	1.5
55.01865	1.5
55.05511	12.6
56.96563	9.5
57.03426	1.1
57.07050	1.6
59.04995	0.8
65.03924	0.8
67.05492	17.7
69.03398	1.5
69.07063	13.4
71.04961	1.4
79.05479	15.6
81.03397	1.9
81.07041	39.1
83.04953	5.3
83.08591	3.6
84.96018	1.1
91.05466	31.5
92.05776	0.9
93.07025	26.5
94.07314	0.8
94.59039	0.8
95.04958	7.1
95.08587	44.2
95.09202	1.4
97.06497	1.1
105.07016	100.0
107.04934	1.3
107.08581	24.9
108.08888	1.3
109.06504	4.9
109.10151	28.5
115.05409	1.9
117.07025	12.7
119.04901	1.4
119.08566	74.4
120.97853	1.0
121.06472	5.6
121.10107	17.8
123.08036	3.0
123.11681	8.5
128.06209	7.4
129.06990	7.1
130.07747	1.3
131.08560	13.0
133.06503	1.9
133.10118	44.3
135.08002	1.3
135.11670	4.6
138.04369	0.9
141.06909	1.3
142.07777	5.8
143.08548	21.0
144.09334	3.2
145.06493	3.0
145.10112	21.2
146.07265	1.4
146.10487	1.7
147.08034	8.3
147.10815	2.1
147.11674	56.8
151.62708	0.8
156.09332	0.9
157.06978	1.0
157.10124	9.3
159.08017	1.8
159.11667	11.4
160.08725	1.5
160.12315	1.5
161.01201	1.7
161.09592	30.4
161.13251	17.6
170.10924	3.5
174.13895	0.9
175.11189	1.5
175.14830	8.4
185.13237	8.8
188.11934	1.9
203.14307	57.4
203.17950	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.19760	1.4
53.21238	1.4
54.91819	1.5
55.05500	9.4
67.05499	35.2
69.07061	14.7
79.05479	18.3
81.06601	3.1
81.07044	63.1
83.08585	1.6
91.05462	30.9
93.07030	34.0
95.04913	1.6
95.08590	81.4
97.72676	1.4
103.47215	1.6
105.07017	78.5
107.08588	60.6
109.10155	61.1
117.07001	2.1
119.08563	47.2
121.10133	22.9
123.11682	6.8
131.08568	2.7
133.10123	30.8
133.52771	1.5
135.11690	2.3
145.10085	8.3
146.10458	1.8
147.11673	91.9
149.69553	1.9
157.10138	2.0
159.11679	2.2
160.12469	1.8
161.13229	14.6
175.14784	7.1
181.97192	1.5
192.83524	1.5
203.17941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	27.8
55.05501	3.9
56.96551	2.3
57.03429	100.0
59.04990	45.4
61.02910	3.2
62.06072	3.9
62.23396	1.7
67.05488	3.0
69.03413	3.0
69.07053	2.3
71.04973	5.2
72.08135	19.2
75.04459	3.3
81.07038	4.5
83.04979	2.5
84.08139	8.3
85.02894	5.1
85.06510	2.3
87.04452	4.8
89.02341	2.8
91.05513	2.0
92.09261	3.0
93.07034	4.3
95.08597	3.1
97.02851	17.0
102.09160	16.4
105.07024	11.2
107.16262	2.0
109.10039	3.0
115.03947	2.1
117.05515	2.2
119.01891	4.3
119.08567	10.5
120.02011	2.5
133.10107	5.0
140.14337	5.0
141.01888	2.5
143.08537	3.0
147.11690	3.6
156.10190	9.3
157.10362	4.3
171.02873	32.6
175.18567	2.1
195.50517	2.2
202.18040	13.1
203.05380	8.7
203.17873	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	203.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97962	2.8
55.01866	30.9
55.05506	4.8
56.96555	4.7
57.03429	100.0
59.04988	49.4
61.02917	4.0
62.06091	4.1
67.05524	3.8
69.03407	4.8
69.07037	3.1
71.04974	5.6
72.08128	13.4
73.02877	5.1
74.44312	2.9
75.04433	3.9
79.05442	2.7
81.03395	3.7
81.07014	4.3
83.01289	2.7
83.04987	4.2
85.02884	5.2
87.04430	6.1
90.01217	2.9
90.61995	3.1
91.05464	4.5
95.08603	7.2
95.66129	2.7
97.02864	24.6
98.97560	6.9
102.09140	19.2
104.44436	2.9
105.06997	23.4
107.08593	3.0
109.10159	7.1
119.01905	12.4
119.08540	15.6
120.01958	4.3
127.03865	3.1
131.75887	3.1
133.10095	5.9
147.11641	12.1
161.13211	4.2
171.02832	35.9
186.97520	3.2
202.18021	5.5
203.05376	14.4
203.18016	13.2
204.13507	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	203.1431
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
52.85879	1.3
55.01860	1.7
55.05505	10.3
67.05484	15.0
69.03405	1.7
69.07052	9.8
71.04983	13.0
78.36705	1.7
79.05478	13.0
81.07044	35.3
81.32212	1.8
83.08598	2.9
85.89225	1.8
91.05466	31.0
93.07024	21.7
95.04961	7.6
95.08581	25.8
97.06503	3.8
99.08064	2.2
105.07018	65.9
107.08569	17.4
109.06499	3.7
109.10149	11.8
115.05436	4.1
115.13718	1.8
117.06992	39.5
119.08561	71.5
120.97890	2.5
121.10130	11.6
123.11692	2.3
128.06192	26.8
129.06973	19.2
130.07777	3.2
131.08533	24.8
133.10110	66.6
141.06987	7.0
142.07774	15.2
143.08546	100.0
144.09322	6.7
145.10106	36.9
147.08047	4.3
147.11676	25.7
156.09373	7.8
157.10106	30.9
159.11688	43.0
161.09602	47.4
161.13277	15.4
170.10905	7.0
175.11189	2.3
175.14735	3.4
185.13226	51.3
203.05284	3.2
203.14304	42.5
203.17903	19.0
214.75049	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56553	0.5
53.03936	1.2
55.05496	2.8
57.07037	0.6
59.04993	28.8
65.03928	0.7
67.05154	0.6
67.05494	15.6
68.02627	4.0
68.06263	4.0
69.03377	0.7
69.07056	0.8
70.91875	0.6
71.04953	0.8
77.02385	0.8
78.37698	0.5
79.05475	30.2
81.07040	100.0
81.49388	0.6
82.04179	1.0
82.07355	0.8
82.07822	14.6
85.06526	2.5
91.05466	6.1
92.05710	0.6
93.07036	3.2
94.04146	0.8
95.04952	25.3
95.08559	0.7
97.06527	1.0
105.07021	8.4
105.83439	0.7
107.04935	1.1
107.08580	47.3
109.05741	0.7
109.06502	46.7
109.10152	7.4
110.07288	87.5
123.08040	2.7
125.84576	0.6
127.07529	7.7
131.08505	0.7
132.08827	0.6
133.10100	10.9
143.08644	0.8
145.10114	0.6
146.10457	3.4
151.11148	6.1
159.11327	0.7
160.12000	0.9
172.08293	0.7
174.13504	1.1
186.08336	0.7
187.10733	1.3
200.17444	0.6
202.12981	2.4
202.16743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67204	1.5
53.00309	2.1
53.03932	3.4
54.81570	1.6
55.01877	4.2
55.05502	25.7
55.42921	1.9
56.96561	36.2
57.03426	9.9
59.04982	10.9
61.02917	2.6
64.79961	1.7
67.05489	11.3
69.03416	9.6
69.07061	8.3
71.04981	1.8
73.02895	4.0
79.05473	42.9
81.03406	3.6
81.07028	27.5
83.03223	1.4
83.04951	6.7
83.08619	13.6
85.02897	10.2
91.05458	44.4
92.09218	2.0
93.07024	77.6
95.04948	42.0
95.08585	23.2
97.02870	11.1
97.06510	4.3
98.97569	31.1
99.04517	2.0
100.02470	2.2
100.97160	2.4
100.97986	1.8
101.00861	7.3
103.05441	2.1
105.04494	1.9
105.07019	36.4
107.04947	18.8
107.08581	40.3
109.02854	1.7
109.06528	11.7
109.10162	2.3
111.08120	2.1
116.06219	2.3
116.98586	23.3
118.03513	3.5
118.96767	3.4
118.98212	4.1
118.99012	3.3
119.01901	87.5
119.08575	8.6
119.96797	2.3
120.96465	6.4
121.06485	9.0
121.10120	100.0
121.10983	3.7
123.08010	17.5
125.09601	7.9
128.02330	3.6
130.06490	2.1
131.08553	22.2
134.99661	15.9
136.99226	3.1
137.02931	58.8
137.09592	24.7
138.09120	2.4
139.07541	8.1
139.11145	7.8
142.03477	19.6
145.10030	2.5
146.10443	11.1
146.99612	2.3
147.03284	2.7
149.09612	56.1
153.00690	2.6
155.01231	2.2
157.07643	3.4
158.99631	6.9
160.04498	13.4
161.01262	2.4
161.02931	9.9
167.06972	3.6
167.10664	20.1
175.06465	2.3
177.00662	16.0
179.03961	26.4
191.05768	15.0
202.06036	7.2
209.06979	3.6
218.64539	1.9
219.01822	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.9
55.05504	2.6
57.03428	45.2
59.04979	17.8
60.04511	11.5
61.02902	3.2
62.06067	2.9
67.05497	3.4
69.07028	3.1
70.06583	20.1
71.04992	5.7
75.95727	2.8
81.03396	2.6
83.01270	3.4
84.04469	5.3
84.08138	3.7
86.09694	30.6
87.04464	3.6
87.85162	3.7
93.07007	3.8
97.02866	5.8
98.06023	5.8
100.07585	4.6
102.09158	5.6
102.34152	3.2
105.07043	3.0
116.07052	21.2
119.01892	3.0
119.08578	3.6
120.08068	10.2
128.10681	3.5
142.08618	17.6
143.08914	4.4
144.06517	5.6
156.06517	10.9
156.10222	20.9
157.10510	6.5
171.02858	15.7
177.28473	2.8
184.09650	3.8
202.10612	9.0
202.18034	4.2
203.03337	4.1
203.05238	100.0
203.11386	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	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03927	3.6
55.01871	10.8
55.05506	13.5
56.96548	9.4
57.03447	1.7
57.07066	3.1
59.04991	9.4
59.93117	1.7
65.03922	1.8
67.05138	3.3
67.05495	95.0
69.03417	25.9
69.07055	13.7
71.01329	1.5
71.04973	3.6
71.08613	1.8
74.74538	1.2
74.96090	1.5
78.61621	1.5
79.05482	40.5
81.03384	7.1
81.07039	37.6
81.68268	1.2
83.04966	7.7
83.08585	1.8
85.02872	9.9
85.06520	3.4
91.05467	38.7
93.07030	41.2
95.04951	32.4
95.08594	41.9
97.02849	1.4
97.06484	6.2
98.97562	18.5
99.04458	2.8
99.97902	5.9
100.11222	2.5
103.05459	2.9
105.07013	64.4
107.04962	10.7
107.08582	43.9
109.06500	11.0
109.10145	100.0
111.04427	13.0
111.08088	7.0
113.75853	1.3
115.05452	2.4
116.98608	17.7
117.06999	37.6
117.98965	3.1
118.96768	16.9
119.08566	65.6
121.06470	2.2
121.10110	7.3
123.04408	9.2
123.08042	37.6
125.05975	13.9
125.09608	3.5
128.06230	2.4
129.06978	6.0
130.07745	6.1
131.08546	36.1
133.10133	7.5
133.99097	3.4
134.99634	13.8
135.08083	1.7
135.99945	1.6
137.05977	1.7
137.09602	44.3
137.10574	2.3
141.08971	1.7
142.07776	5.9
143.08557	9.4
144.09361	2.5
145.10109	71.4
145.11227	2.8
147.08051	12.6
153.00687	1.6
153.06967	1.5
153.09102	3.4
154.96439	7.0
155.08548	2.0
155.10585	2.1
157.10127	7.4
159.11679	52.8
165.09100	53.8
173.13245	6.0
177.98073	10.6
183.10155	17.8
184.36330	1.5
201.11186	2.0
201.12903	2.2
201.16347	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56553	0.5
53.03936	1.2
55.05496	2.8
57.07037	0.6
59.04993	28.8
65.03928	0.7
67.05154	0.6
67.05494	15.6
68.02627	4.0
68.06263	4.0
69.03377	0.7
69.07056	0.8
70.91875	0.6
71.04953	0.8
77.02385	0.8
78.37698	0.5
79.05475	30.2
81.07040	100.0
81.49388	0.6
82.04179	1.0
82.07355	0.8
82.07822	14.6
85.06526	2.5
91.05466	6.1
92.05710	0.6
93.07036	3.2
94.04146	0.8
95.04952	25.3
95.08559	0.7
97.06527	1.0
105.07021	8.4
105.83439	0.7
107.04935	1.1
107.08580	47.3
109.05741	0.7
109.06502	46.7
109.10152	7.4
110.07288	87.5
123.08040	2.7
125.84576	0.6
127.07529	7.7
131.08505	0.7
132.08827	0.6
133.10100	10.9
143.08644	0.8
145.10114	0.6
146.10457	3.4
151.11148	6.1
159.11327	0.7
160.12000	0.9
172.08293	0.7
174.13504	1.1
186.08336	0.7
187.10733	1.3
200.17444	0.6
202.12981	2.4
202.16743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05491	0.3
57.07062	3.4
63.49170	0.3
67.05485	0.9
71.08616	4.1
79.05478	0.5
79.11800	0.4
79.88404	0.4
81.07041	0.6
91.05437	2.3
93.07027	0.4
105.06358	0.7
105.07009	12.9
107.08624	0.5
114.06277	0.4
114.37779	0.4
116.06303	0.4
117.06992	7.2
118.96762	0.5
119.08577	1.8
128.06178	0.5
129.06976	1.9
130.07762	6.0
131.08534	12.3
131.09439	0.7
143.08511	3.3
144.09297	2.4
145.10100	100.0
157.10077	1.8
159.11665	15.9
166.51923	0.4
173.80455	0.4
180.22258	0.3
201.16354	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05498	3.5
57.07058	2.6
64.33241	1.7
67.05505	13.2
69.07041	9.4
79.05489	13.7
81.07043	24.2
83.08609	2.9
91.05465	22.9
93.07037	20.1
95.08585	22.3
101.07494	1.5
105.07015	47.6
107.08578	27.8
109.10139	2.4
115.05343	2.2
117.06988	23.9
118.96861	1.7
119.08567	32.6
121.10125	9.9
129.06960	3.7
130.07756	9.9
131.08543	51.1
133.10083	13.2
143.08556	10.2
144.09311	11.7
145.08975	3.6
145.10117	100.0
157.10074	7.5
158.10954	2.1
159.11678	72.7
171.11745	1.7
173.13194	19.1
186.13997	2.4
201.16371	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03959	1.6
53.58596	1.5
55.05498	10.3
56.96547	2.8
57.07073	2.9
67.05483	20.4
69.03402	2.0
69.07043	16.3
69.81182	1.7
71.04983	1.8
79.05479	30.2
81.07045	34.7
83.01291	1.4
83.04970	2.3
83.08598	2.4
91.05456	42.1
93.07019	53.7
95.04946	13.4
95.08570	29.6
98.97556	8.2
103.05444	1.9
105.07014	53.3
107.08581	43.9
109.06493	3.7
109.10119	15.5
116.06180	2.5
116.98595	2.1
117.06994	65.5
118.96747	7.2
119.08559	50.0
121.10131	27.8
123.08054	3.0
123.11675	2.2
125.09590	2.0
129.06989	3.5
130.07768	10.0
131.08546	66.6
133.10104	17.9
134.99619	2.0
137.09581	3.3
143.08545	9.3
144.09328	9.5
145.10104	100.0
146.10968	2.4
147.11659	4.2
157.10133	9.7
158.10878	6.6
159.11665	70.9
160.12573	2.4
171.11583	2.0
173.13214	23.3
177.98047	2.6
183.10185	2.3
186.14024	2.9
201.16348	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
57.07066	3.5
67.05486	0.8
71.08623	3.5
79.05460	0.6
81.07027	0.6
91.05490	4.3
93.07048	0.9
105.07025	14.6
107.08591	0.9
117.06998	8.2
119.08582	2.4
129.07005	1.1
130.07776	6.2
131.08542	13.0
133.10153	1.0
143.08588	2.9
144.09369	2.5
145.10120	100.0
157.10175	0.9
159.11673	16.3
173.13260	0.9
201.16377	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	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
50.87490	0.3
53.12881	0.3
53.22636	0.2
57.07069	4.0
57.93221	0.3
58.84878	0.3
71.08617	3.2
86.77334	0.3
91.05467	2.8
92.08637	1.0
93.11082	0.3
100.20387	0.3
105.07014	13.1
116.06226	0.4
116.65720	0.3
117.07002	6.2
119.08589	0.6
128.06245	0.4
129.06976	1.7
130.07770	7.7
131.08549	10.8
143.08560	3.3
144.09338	1.5
145.10112	100.0
146.10422	1.3
157.10150	0.5
159.11678	13.7
201.16365	5.9
221.70311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05490	5.1
56.96536	0.9
57.07046	4.4
60.12531	0.9
65.03906	0.9
67.05486	11.6
69.07047	11.3
69.10511	0.8
71.08598	1.5
79.05482	14.1
79.70117	0.9
81.07040	13.1
81.53705	0.8
83.08594	1.3
90.04542	0.9
91.05461	24.0
93.06486	1.5
93.07027	28.9
95.04945	2.2
95.08589	19.3
105.07018	46.0
107.08582	21.9
109.10123	5.4
115.05449	1.4
116.06213	1.1
117.06232	1.7
117.07007	34.3
117.07755	1.2
118.09278	1.0
118.96825	1.1
119.08557	22.8
121.10134	10.2
128.06082	0.8
129.06995	9.2
130.07761	14.9
131.08546	49.5
133.10121	11.8
134.45001	1.0
142.07770	1.3
143.08557	11.3
144.09320	8.8
145.10107	100.0
150.87201	0.9
157.10078	7.7
158.10870	2.1
159.11668	62.8
171.11615	1.7
173.13220	12.1
186.13962	1.0
201.16356	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
57.07066	3.8
66.85135	0.3
67.05489	0.7
71.08604	3.8
77.52721	0.3
81.07037	0.4
91.05466	2.5
92.09321	0.3
95.08612	0.3
105.07009	12.4
107.08592	0.3
115.05417	0.4
116.06245	0.3
117.07000	6.5
118.32405	0.3
119.08551	1.6
120.86019	0.2
128.06187	1.1
129.06976	1.6
130.07774	6.7
131.08539	12.1
133.10068	0.6
137.01161	0.3
142.07779	0.6
143.08542	4.5
144.09349	2.6
145.10106	100.0
146.10445	0.4
157.10123	1.6
158.10893	0.5
159.11670	19.2
173.13274	0.5
201.16339	10.9
206.32408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
50.89512	1.4
50.91882	1.4
50.98652	1.5
53.03944	2.9
55.05491	10.4
57.03419	1.7
57.07056	2.1
59.66319	1.8
64.87508	1.4
65.03893	1.5
65.36282	1.7
67.05494	25.1
69.03419	2.0
69.07051	19.9
71.04968	2.4
75.04478	3.7
79.05471	37.0
81.07037	34.0
83.04975	2.3
83.08609	1.9
91.05457	42.2
93.07025	47.1
95.04945	48.1
95.08575	31.0
97.06494	8.4
97.19138	1.8
98.97583	1.9
104.57996	1.6
105.06365	3.1
105.07015	49.5
107.08582	28.8
109.06506	16.0
109.10145	12.9
115.05424	7.7
117.06237	3.4
117.07008	78.6
119.08559	38.1
121.10120	32.3
123.08019	8.5
129.06961	4.4
130.07800	15.4
131.08546	59.3
133.10133	21.2
134.99593	1.8
137.09567	3.1
142.07774	2.3
143.08524	12.0
144.09250	2.3
145.10112	100.0
146.10924	2.1
147.11650	11.1
155.10690	1.8
157.10057	3.1
158.10892	4.4
159.11665	61.3
160.12402	3.6
172.12363	2.3
173.13228	17.4
201.16362	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
53.03952	1.7
55.05510	4.6
57.07072	1.9
67.05470	15.8
69.07060	17.4
79.05468	21.0
81.07043	20.4
84.09182	2.0
91.05466	30.4
93.07012	31.0
95.08574	17.7
105.07010	51.3
107.08578	20.8
109.10137	4.4
115.05442	4.1
116.06255	3.4
117.06998	40.4
119.08546	24.6
121.10116	11.0
128.06197	3.1
129.06955	11.1
130.07770	19.9
131.08536	60.0
133.10092	17.2
136.42450	1.8
142.07796	2.1
143.08556	11.8
144.09309	12.1
145.10103	100.0
157.10083	4.2
158.10841	2.7
159.11662	59.9
169.87004	2.1
173.13193	15.8
201.16370	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.82070	0.8
52.43562	0.9
54.30838	1.0
55.05493	4.7
64.74764	1.1
64.85016	1.1
67.05500	10.9
67.65382	1.1
69.07048	4.4
73.12478	1.0
78.38731	1.2
79.05474	15.6
81.06672	1.3
81.07053	19.2
87.37164	1.2
87.91119	1.0
91.05467	19.5
93.06471	1.9
93.07027	28.9
95.04944	2.8
95.08585	14.3
95.84745	1.1
99.08142	1.1
103.05433	2.3
105.07019	48.1
106.30104	1.1
107.08585	31.4
109.10127	6.0
115.05515	1.3
117.07007	20.9
119.08563	24.2
121.10104	11.4
129.06984	5.7
130.07750	9.7
131.08549	40.3
131.59238	1.1
133.10130	13.3
143.08537	6.1
144.09360	5.0
145.10110	100.0
146.10898	1.9
149.86708	1.1
157.10069	5.2
159.10352	2.3
159.11665	57.0
160.12364	1.3
162.71332	1.2
171.11681	2.7
173.13222	12.0
186.14011	1.3
201.16356	85.8
206.57002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05493	2.1
57.07063	3.8
64.48387	1.2
67.05491	11.6
69.07045	13.9
71.08584	2.0
74.26231	1.3
79.05483	19.3
81.07036	18.2
83.08637	1.6
91.05463	26.5
93.07028	27.5
95.04964	2.6
95.08588	23.2
105.07018	54.6
107.08572	21.2
109.10162	5.9
115.05439	2.3
117.06990	32.8
119.08569	29.2
121.10124	9.2
128.06226	1.7
128.77295	1.4
129.06996	7.3
130.07784	11.8
131.08542	53.2
133.10110	11.5
143.08530	12.5
144.09328	8.4
145.10115	100.0
146.10876	2.9
157.10115	6.5
158.10815	2.7
159.11674	59.9
171.11798	2.3
173.13235	12.1
199.14893	1.5
201.16354	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
57.07062	3.5
67.05498	8.9
69.07056	8.5
71.08631	1.7
71.75932	1.7
79.05490	11.4
80.95095	2.1
81.07063	15.1
86.92928	1.6
91.05453	13.4
93.07027	19.9
95.08581	15.8
105.07013	35.4
107.08566	17.5
109.10149	4.5
112.38175	1.7
115.05494	1.9
117.06999	22.8
119.08580	17.7
121.10123	9.4
129.06995	6.9
130.07750	8.7
131.08542	40.6
133.10094	7.5
143.08569	10.1
144.09367	10.4
145.10107	100.0
157.10127	7.4
159.11665	54.1
165.08867	2.0
171.11687	3.9
173.13235	12.9
186.13927	3.1
201.16348	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
56.76640	0.2
57.07067	3.7
66.52889	0.3
67.05487	0.6
69.07037	0.3
71.08617	3.2
79.05434	0.3
81.07038	0.4
91.05464	2.4
95.08543	0.3
103.05396	0.3
105.07018	15.5
107.08604	0.3
109.67516	0.2
115.05449	0.4
116.06169	0.3
117.07005	7.4
119.08564	1.9
128.06226	0.5
129.07007	1.5
130.07777	7.6
131.08551	11.4
133.10182	0.3
143.08542	3.1
144.09311	1.9
145.10109	100.0
148.32977	0.3
157.10085	1.8
158.10855	0.3
159.11679	16.3
163.04858	0.3
173.13197	0.3
201.16342	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	201.1638
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
50.49862	0.2
50.54052	0.2
51.35521	0.3
55.05492	0.2
57.07076	3.8
57.70288	0.2
58.15839	0.3
67.05495	0.4
71.08609	3.2
87.85535	0.3
90.38487	0.3
91.05450	2.1
93.07000	0.3
105.07020	11.2
117.06992	5.3
119.08581	1.3
128.06270	0.4
129.07018	1.3
130.07776	7.1
131.08548	11.3
143.08566	3.3
144.09338	2.2
145.10109	100.0
157.10103	1.1
159.11662	14.2
201.16379	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	201.1486
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
54.81199	1.4
55.01865	36.8
55.05502	21.2
56.96548	1.8
57.03424	8.9
57.07066	14.6
58.28520	1.2
67.05145	2.4
67.05494	60.8
69.03416	3.7
69.07054	44.5
71.04969	14.3
74.59310	1.5
75.04461	2.4
79.05467	17.5
79.38070	1.4
81.07036	89.8
83.04970	6.2
83.08614	3.9
83.88720	1.4
85.06530	41.2
85.27686	1.4
91.05434	12.8
93.07015	26.9
95.04948	14.8
95.08585	100.0
97.06516	2.8
97.10148	3.7
98.97532	2.1
99.04382	1.9
99.08057	3.0
105.07012	58.5
107.08581	63.1
109.06514	7.6
109.10141	81.7
113.05989	15.6
116.98621	2.3
117.06997	11.2
119.08552	20.1
119.15482	1.4
121.10080	11.5
123.08078	11.6
123.11680	11.1
125.09605	81.0
127.07520	10.3
128.06195	2.4
129.06982	2.7
130.07802	2.5
131.08542	17.2
133.10097	2.3
137.13234	39.3
143.08566	8.1
144.09344	2.9
145.10101	57.8
147.11678	43.3
149.97153	1.7
157.10118	3.3
159.11656	30.1
165.12709	47.7
171.11696	1.6
173.13222	6.2
183.13771	29.8
201.16385	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.03929	1.3
55.05493	6.5
56.96551	5.5
57.07055	5.3
58.59104	0.9
67.05505	11.6
69.07069	10.1
71.04968	1.7
75.04412	1.0
75.10521	0.9
79.05489	9.5
81.07048	21.5
83.05008	1.0
84.46384	1.0
91.05472	21.8
93.07031	20.7
95.03966	1.1
95.04938	6.0
95.08601	21.2
98.97579	4.4
99.97910	2.2
100.97194	1.1
105.06361	2.0
105.07024	40.6
107.08582	24.0
107.81253	0.9
109.06506	2.0
109.10143	6.8
115.05444	1.6
116.06192	2.0
116.98583	4.1
117.07021	25.1
118.96759	5.3
119.08567	26.5
121.10144	11.6
121.54733	1.0
123.08054	1.7
129.06993	7.8
130.07777	9.6
131.08559	49.8
133.10120	11.6
134.99660	2.3
137.09601	1.7
142.07742	2.2
143.08508	9.9
144.09335	6.7
145.10124	100.0
146.10858	1.9
147.11705	1.6
147.19283	1.4
155.08522	1.5
155.10648	1.8
157.10086	6.5
157.57640	1.1
158.10793	2.1
159.08037	1.1
159.11682	64.0
171.11674	2.0
173.13255	16.5
177.98000	1.9
186.14052	2.3
201.12666	1.4
201.16373	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99712	0.9
53.03932	2.1
55.01867	9.0
56.96552	25.9
57.03428	19.9
61.02912	18.1
68.64007	1.0
69.03416	22.7
71.01305	1.2
71.04974	1.9
71.95253	1.2
72.08154	2.4
73.02899	39.6
76.56315	1.0
80.45199	1.0
81.03402	6.5
83.00742	1.4
84.04488	5.9
84.96011	2.5
85.02370	1.4
85.02892	43.4
86.01322	1.0
86.03237	2.6
89.06550	1.0
90.01519	1.3
92.01270	4.3
97.02872	26.3
98.01257	5.4
98.97560	100.0
99.02045	1.7
99.04444	8.2
102.01568	1.2
102.05550	1.3
104.01252	10.3
105.67383	1.1
107.01817	1.8
108.01582	1.4
109.02860	1.9
110.01268	21.9
110.97554	23.3
113.01762	2.7
115.03916	1.8
116.01271	5.8
116.98598	51.5
117.01992	2.6
119.01777	23.3
119.51896	1.2
124.99141	1.2
125.01780	7.4
127.03866	11.8
128.02275	15.2
128.04263	2.3
128.98584	33.2
129.98875	1.3
131.01791	4.9
134.02290	2.4
134.99626	20.2
136.07590	6.8
137.01834	1.1
137.07899	2.6
140.02332	2.2
140.98604	2.3
143.00153	4.7
146.02324	5.5
146.99609	22.8
149.02838	1.7
152.02298	2.7
152.07048	2.4
153.00711	1.6
153.07462	2.0
155.02837	8.6
158.99591	15.7
161.01328	7.9
161.02829	6.9
163.08656	1.8
164.03340	4.1
164.06984	4.0
164.09030	1.2
165.00758	1.8
165.07344	1.4
169.70572	1.2
170.99594	11.4
173.01280	1.3
177.00661	22.7
179.02406	1.3
182.03346	1.7
182.08087	16.3
182.99620	1.5
183.08443	13.5
189.00667	21.1
191.03871	5.4
195.01773	1.7
199.10803	1.4
200.04333	2.1
201.00697	11.3
207.01752	2.5
219.01727	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1483
Annotation	CADALENE
Peak:m/z	Relative Intensity
55.05505	5.2
56.96563	3.6
57.07071	13.2
65.62174	0.9
69.07058	4.9
71.20148	0.9
74.09695	1.5
76.63380	0.8
79.05491	1.9
81.07037	1.3
86.06016	0.9
91.05460	3.9
93.07001	3.1
98.97572	17.8
100.07599	1.2
105.07015	11.4
106.07256	0.9
107.08595	4.5
115.05453	1.7
116.97253	6.9
116.98614	10.5
119.08573	4.7
128.06203	17.5
128.64990	0.9
129.06995	10.5
131.08522	1.3
134.99602	7.5
137.34529	0.9
141.07016	9.3
142.07773	72.3
143.08551	43.0
144.09363	1.4
145.10164	1.4
155.08543	14.3
156.09329	36.0
157.10114	100.0
158.39192	0.9
169.10127	16.1
170.10884	23.8
171.11670	39.8
176.02289	1.0
184.12431	20.7
198.18575	9.3
199.14796	37.6
199.18806	9.8
205.75363	0.9
209.86281	0.9
212.90503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1482
Annotation	CADALENE
Peak:m/z	Relative Intensity
51.95473	0.7
55.05495	4.7
56.96546	5.6
57.07071	12.0
60.09650	1.1
68.48980	1.0
69.07040	1.9
74.09731	2.9
79.05447	1.7
81.07034	1.5
83.08610	1.3
84.63571	1.1
92.09294	1.3
98.97563	16.3
100.07645	1.1
105.07025	8.3
107.03182	1.1
115.05433	1.8
116.97215	6.3
116.98610	13.1
119.08548	2.4
128.06206	12.5
129.06976	9.5
131.08511	1.3
134.99649	4.6
141.06960	8.0
142.07765	69.2
143.08545	34.9
145.10091	1.5
152.96962	1.5
155.08536	16.2
156.09319	32.6
157.10103	100.0
159.08095	1.0
169.10107	15.7
170.10898	24.4
171.11655	38.0
175.98506	2.3
184.12442	17.6
198.18462	8.4
199.14807	30.3
199.18790	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	199.1481
Annotation	CADALENE
Peak:m/z	Relative Intensity
55.05497	1.3
57.07065	16.8
69.07056	1.9
74.09685	1.1
75.28153	0.8
91.05414	1.1
98.97565	6.7
99.57981	0.8
105.07025	6.5
115.05438	1.6
116.97196	4.9
116.98609	4.4
119.08519	1.3
128.06190	14.9
129.06982	10.7
134.99615	1.3
141.06953	10.1
142.07758	71.9
143.08540	35.8
143.09616	1.9
152.96895	1.1
155.08514	20.4
156.08127	1.0
156.09311	45.3
157.10103	100.0
159.07919	1.1
169.10080	14.6
170.10863	28.1
171.11646	46.0
184.12421	22.1
198.18527	4.5
199.14780	27.3
199.18813	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	199.148
Annotation	CADALENE
Peak:m/z	Relative Intensity
50.08360	0.5
50.47886	0.5
55.05501	1.7
56.96550	4.3
57.07064	16.2
57.44083	0.6
58.22692	0.6
68.62382	0.6
69.07056	1.7
74.09699	0.9
81.07027	1.0
87.53257	0.7
90.41407	0.7
91.05463	1.7
91.50940	0.7
92.48756	0.6
93.07010	0.8
95.08596	0.7
95.82452	0.6
98.95474	0.7
98.97565	8.8
100.07621	0.8
105.06992	9.5
107.08539	1.2
115.05437	2.9
116.97216	7.2
116.98549	5.1
119.08575	2.7
128.06183	17.6
129.06979	10.9
134.99605	2.5
141.06967	8.8
142.07755	74.2
143.08540	36.9
144.09351	1.1
145.06451	1.0
145.10168	1.0
155.07274	1.1
155.08522	18.8
156.08330	1.0
156.09315	46.2
157.10098	100.0
169.07571	1.1
169.10100	16.3
170.10867	32.6
171.11655	46.6
175.98459	1.3
180.93546	0.7
184.12430	22.9
198.18491	8.0
199.14795	32.5
199.18872	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	199.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91078	0.4
55.05495	2.2
56.96553	4.8
57.06813	0.8
57.07069	15.5
67.05486	1.0
69.07056	3.4
70.07397	0.5
74.09704	1.8
75.94598	0.5
76.56960	0.5
79.05456	2.0
81.07042	0.8
83.08596	0.9
91.05460	2.9
91.55159	0.5
92.08646	0.5
93.07025	1.1
95.04971	0.7
95.08592	0.5
98.97564	11.3
105.07020	10.5
107.08583	2.8
108.23418	0.5
115.05436	2.2
116.00251	0.5
116.97211	8.1
116.98582	8.9
117.07036	0.5
119.08546	4.3
128.06203	16.0
129.06989	12.4
131.08539	1.2
131.99561	0.7
134.95853	0.5
134.99602	4.4
141.06972	9.5
142.07764	65.5
143.08545	35.6
145.10153	1.8
152.96930	1.1
153.00706	0.8
155.06009	0.9
155.07263	1.2
155.08528	17.6
156.09319	41.3
157.10104	100.0
169.07733	0.7
169.10097	16.4
170.10884	24.6
171.11658	43.1
175.98434	3.5
176.02249	0.8
184.12437	22.1
198.18533	7.5
199.14798	34.3
199.18805	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	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71060	0.6
53.03924	1.3
55.01866	8.3
55.05512	5.6
57.03434	10.6
57.07066	1.6
60.04503	1.0
61.02915	9.6
69.03072	1.3
69.03414	26.7
69.07050	1.6
71.04971	1.9
73.02889	8.0
73.80259	0.6
75.87558	0.8
79.05471	0.8
81.03391	4.3
82.20287	0.8
83.04965	3.2
83.08595	3.2
84.04490	0.9
85.02891	100.0
87.04439	1.0
91.03928	3.2
97.02353	1.1
97.02888	20.2
97.10163	1.7
98.98428	0.8
99.04441	8.8
101.02356	4.4
103.03949	1.2
107.08641	0.9
109.02862	3.3
115.03924	1.6
117.05469	1.3
126.60275	0.8
127.02962	1.4
127.03902	39.4
130.78923	0.7
145.04941	33.4
152.07063	1.6
163.05959	9.8
180.08618	1.3
181.02553	12.6
198.07570	3.1
198.18501	45.5
198.20338	1.6
218.85959	0.8
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
56.96547	1.1
61.88807	0.5
64.33352	0.4
68.83775	0.4
98.97554	17.1
101.00880	1.1
114.32420	0.5
115.17095	0.6
116.98582	9.2
119.01932	4.1
134.99623	3.8
137.02939	1.1
138.96361	5.1
156.97446	69.6
162.26678	0.6
163.98245	1.2
164.96315	2.6
172.98853	0.7
173.96854	2.1
174.98494	100.0
175.49017	0.6
175.98734	0.7
176.02296	0.9
179.99008	0.8
198.18488	1.1
198.98480	6.6
199.00143	1.1
216.99547	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1482
Annotation	CADALENE
Peak:m/z	Relative Intensity
54.81480	1.1
55.05491	6.5
56.96555	4.0
67.05479	2.0
69.07046	6.4
73.01460	0.9
74.09686	1.3
79.05468	5.0
81.07027	6.7
83.08592	1.5
88.12267	1.1
91.05466	10.0
93.07015	7.1
95.02612	1.1
95.08569	1.4
98.97556	7.3
105.07014	23.5
107.08584	5.3
115.05429	1.9
116.65701	1.1
116.98565	4.1
117.06983	4.8
119.08531	9.3
128.06194	13.0
129.06978	18.5
131.08551	13.7
134.99615	1.6
142.07771	22.3
143.08551	68.9
144.09303	1.8
145.10088	5.5
155.08511	5.8
156.09357	8.0
157.10107	75.6
169.10063	8.0
170.10866	5.1
171.11650	17.4
184.12483	7.0
198.18483	2.2
199.14795	100.0
199.18784	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	199.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05502	7.3
56.96549	1.4
69.07052	6.7
72.19146	1.6
74.09707	1.6
79.05466	13.1
81.07056	14.7
91.05451	17.3
92.09221	2.1
93.07027	13.0
95.08582	1.8
98.97574	8.7
105.07011	44.2
107.08561	11.1
115.05430	6.8
116.97275	2.4
116.98623	4.2
117.07021	6.9
119.08555	21.3
128.06213	20.7
129.06978	26.3
131.08575	16.7
133.10123	2.3
134.99709	2.1
141.06976	3.2
142.07767	32.2
143.08545	75.6
145.10100	10.7
155.08533	8.2
156.09322	9.2
157.10103	77.7
169.10129	10.8
170.10954	9.4
171.11630	22.8
184.12479	11.8
198.18500	2.9
199.14812	100.0
199.18806	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	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01880	3.3
55.05507	13.2
57.03434	7.1
57.07074	10.8
58.53957	2.5
59.04993	7.1
63.75971	2.4
67.05499	21.0
69.03426	16.7
69.07056	37.1
69.62084	2.6
70.95850	13.3
71.04981	21.7
72.93758	7.2
77.36748	2.7
79.05473	14.6
81.03392	4.7
81.07037	90.2
81.07472	4.5
83.04969	10.6
83.08588	11.5
85.06533	12.4
91.05479	19.5
93.07027	100.0
95.04967	17.6
95.08586	86.5
97.06509	90.8
99.04453	4.0
105.07027	43.0
107.08589	43.2
109.06506	6.3
109.10156	42.6
111.08072	6.0
111.98467	5.6
119.08559	49.1
121.10136	17.8
123.08062	18.1
132.95787	20.5
133.10117	16.3
135.11678	67.8
137.09615	5.3
137.13251	16.5
141.59563	3.0
141.70110	3.4
150.96869	30.7
151.11182	4.2
153.12735	70.0
155.97443	5.2
161.13249	32.6
169.10164	2.8
171.32390	3.1
173.98460	11.2
179.14267	53.1
191.25406	3.5
197.13470	6.5
197.15332	77.0
198.18518	4.7
201.86444	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	197.1536
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.05502	9.3
57.03428	3.8
57.07068	6.3
59.04986	2.4
60.64386	1.2
62.58034	1.2
67.05499	15.7
69.03421	3.5
69.07059	23.0
70.95852	36.9
71.04974	7.2
72.93775	24.7
74.93153	1.7
79.05475	10.1
81.03378	2.0
81.07045	46.9
83.04936	1.6
83.08617	2.8
85.02840	1.4
85.06532	3.4
88.69265	1.5
88.96894	7.2
90.94799	6.1
91.05460	9.6
92.09250	2.1
93.07027	55.4
95.04950	11.9
95.08581	52.7
97.06516	29.0
99.08097	1.7
105.07031	25.0
107.08599	20.9
109.06513	6.4
109.10133	17.3
111.08031	2.9
111.39213	1.4
111.98464	29.5
113.96359	2.1
119.08559	26.9
121.10133	9.6
123.08057	13.8
123.11650	2.4
129.99490	13.5
132.95816	69.9
133.10139	8.7
135.11668	35.2
137.09601	6.2
137.13243	11.2
141.09148	2.6
147.00983	1.7
150.96872	100.0
153.12717	34.9
155.97421	25.0
159.37965	1.6
161.13211	22.3
168.98015	2.9
169.10129	1.6
173.12119	1.8
173.98442	49.7
179.14278	28.6
197.13475	3.5
197.15329	39.8
198.18524	2.9
198.33092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05505	5.1
56.96544	0.9
59.04972	0.8
59.94800	0.7
63.84152	0.7
67.05489	4.7
69.03416	1.2
69.07051	1.9
70.76085	0.8
70.95475	1.7
70.95849	39.9
70.96236	1.3
71.04964	1.6
72.93768	17.7
79.05468	6.3
81.03424	1.2
81.07031	15.3
83.04957	1.7
88.96878	6.5
90.94810	5.0
91.05461	9.4
93.07013	9.8
94.22510	0.8
95.04930	4.3
95.08588	3.4
97.06527	1.3
99.04445	1.6
99.21978	0.8
105.07023	13.4
107.08569	19.6
109.06505	10.4
109.10143	7.3
111.98464	25.8
113.96368	1.3
119.04907	1.0
119.08575	7.3
121.06445	1.6
123.08016	1.0
123.11682	9.4
125.05975	3.1
127.65334	0.8
128.06194	1.4
129.99496	12.8
131.08582	1.0
132.95808	55.2
133.10101	20.0
135.08058	1.0
135.11674	6.0
137.05963	13.4
137.09604	4.4
150.96864	100.0
151.11142	6.5
155.97404	18.9
161.09538	6.0
168.97928	3.9
169.10139	0.9
170.89081	0.8
173.98453	44.6
179.10635	18.7
197.11708	12.2
197.13277	1.7
198.18491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03919	0.9
55.01860	1.3
55.05498	5.5
56.96559	1.6
57.07068	1.7
59.04979	4.5
61.42516	0.7
65.03920	1.1
67.05498	10.8
67.42776	0.8
69.03410	1.6
69.07053	3.9
70.95521	1.1
70.95853	16.6
71.04967	1.1
72.93776	9.3
77.25774	0.9
79.05485	12.7
81.07038	13.5
83.04969	1.5
85.06529	1.5
88.96864	3.9
90.94820	1.5
91.05465	26.9
92.09051	5.8
92.63823	1.1
93.07024	31.2
95.04953	14.2
95.08592	6.9
97.06508	1.0
102.08015	0.9
105.07018	44.2
107.08581	90.2
109.06509	12.1
109.10146	10.2
111.98467	13.4
114.85992	1.0
119.04949	1.9
119.08566	13.8
119.36473	0.9
121.06472	6.4
121.10105	1.3
123.04433	1.8
123.08036	1.9
123.11671	7.4
128.06180	1.8
129.99495	7.6
131.08554	4.3
132.95816	27.2
133.10112	100.0
135.08083	1.5
135.11676	50.3
137.05981	2.2
137.08614	0.9
137.09615	4.9
143.08589	1.5
146.07283	2.3
150.96872	47.3
151.11168	7.9
155.08560	2.0
155.97374	11.2
161.09590	40.6
167.08556	1.3
173.98451	26.7
179.10641	99.3
188.15071	0.9
194.95514	0.9
197.11703	74.0
197.13213	4.6
199.56395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
52.37793	0.7
53.03931	1.4
53.61654	0.6
55.01851	1.0
55.05504	6.2
56.96547	1.4
57.03404	0.6
57.07047	0.8
59.04979	3.5
59.60433	0.6
64.33538	0.8
65.03908	1.5
67.05482	9.0
69.03415	1.1
69.07034	2.9
69.24067	0.7
70.95843	14.1
71.04963	1.2
71.09955	0.7
72.93771	5.6
79.05469	8.5
81.03352	1.0
81.07040	13.6
83.04961	1.1
85.06516	1.4
88.96863	1.5
91.05453	28.3
93.07021	35.1
95.04953	14.0
95.08578	4.3
96.27711	0.7
101.02502	0.8
105.07011	44.7
107.04946	1.1
107.08573	98.2
109.06511	11.1
109.10146	9.3
111.98475	7.9
115.05415	1.6
117.06937	1.0
119.04889	3.2
119.06065	1.2
119.08563	12.5
121.06473	7.5
121.10080	3.6
123.04404	3.1
123.08041	1.4
123.11692	4.4
128.06227	1.1
128.62074	0.8
129.99469	5.0
131.08517	3.3
132.95818	21.8
133.06447	1.1
133.10103	97.0
135.08037	3.2
135.11668	50.8
137.05983	5.8
137.09575	5.2
143.08530	1.6
146.07240	3.4
150.95686	1.5
150.96869	36.0
151.11160	7.1
155.08522	1.2
155.97391	7.7
161.09584	43.3
167.08482	0.8
169.10071	1.0
173.98425	16.1
179.10635	100.0
180.06650	0.8
182.10866	1.0
197.11688	82.7
197.13066	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03938	16.7
55.01854	3.3
55.05497	10.1
56.96559	3.7
57.03429	1.9
57.07071	17.3
59.04974	1.8
67.05487	13.5
69.03402	3.5
69.07064	4.3
70.41587	1.6
70.95850	43.9
71.01330	12.7
71.04971	8.9
72.93776	22.2
79.05471	16.1
81.03402	15.8
81.07043	29.8
83.04944	2.1
85.06520	4.8
86.67608	2.0
88.96892	3.5
91.05457	21.3
93.07015	16.5
95.04955	26.9
95.08585	8.0
97.06532	7.8
105.07028	27.2
107.04967	2.3
107.08569	12.5
108.05689	3.0
109.06506	18.2
109.10138	9.0
111.04414	2.7
111.98452	25.1
113.96452	2.1
115.05454	2.3
119.08546	7.9
123.11698	2.3
125.05981	4.6
129.99486	14.3
131.08501	2.0
132.95828	59.4
133.10124	16.9
137.05945	3.8
141.05458	23.1
143.08519	3.3
150.95679	4.5
150.96877	100.0
151.11208	16.2
155.08549	2.9
155.97366	22.5
161.09612	3.0
167.08537	3.7
169.10165	2.7
173.98459	46.5
179.10640	28.4
182.10924	2.1
197.11693	54.0
197.13307	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03938	1.7
55.01865	1.8
55.05505	1.9
59.04989	1.7
67.05482	7.9
69.03416	1.4
69.07048	2.6
70.95857	15.1
72.93761	7.6
79.05487	13.1
81.07042	16.4
83.04948	1.6
88.96852	1.1
91.05460	54.3
92.08698	2.0
93.07020	32.5
95.04928	11.6
95.08583	5.9
96.57184	1.1
97.06513	1.4
99.04515	1.5
105.07015	66.3
107.08582	54.2
109.06496	9.8
109.10121	8.3
111.98473	9.2
117.07018	11.5
118.07753	1.2
119.08564	100.0
121.06473	4.8
121.10136	1.3
123.04385	1.8
123.08109	1.4
123.11674	6.1
128.06277	1.8
129.99481	5.3
131.08522	4.6
132.95824	18.9
133.06569	1.1
133.10107	82.3
135.11671	24.8
137.05966	1.9
137.09578	8.3
143.08511	1.6
146.07210	1.3
150.96872	33.5
151.11163	5.7
155.97388	7.3
161.09581	25.5
173.98439	15.3
179.10638	52.2
197.11693	33.8
197.13361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
51.35568	1.2
53.89289	1.2
53.97057	1.1
54.81923	1.2
55.01863	2.9
55.05504	9.4
56.96554	10.4
59.05001	2.1
65.43823	1.2
67.05492	17.3
69.03420	11.4
69.07057	3.5
70.95843	28.6
71.04971	31.2
72.93764	12.4
79.05473	11.2
81.03400	1.8
81.07034	23.0
85.06536	3.6
88.96913	1.9
91.05444	17.2
93.07026	16.9
95.04937	29.0
95.08590	12.5
97.06474	2.2
99.04436	22.8
105.07019	18.3
107.04795	1.4
107.08587	12.4
109.06522	13.6
109.10162	11.6
111.08073	1.5
111.98441	17.9
113.96394	2.4
114.94848	1.6
115.05447	1.5
117.06982	7.2
119.08553	28.0
121.06483	3.4
121.10070	2.1
122.07363	4.9
123.11737	1.9
129.99446	11.3
132.95825	40.7
133.10123	8.8
135.08035	7.9
137.09595	100.0
149.27386	1.5
150.96866	77.4
151.11234	10.7
152.41460	1.4
155.08557	3.2
155.97403	12.7
161.09570	2.6
169.10074	2.9
169.12320	2.4
173.98460	31.6
179.10641	6.4
182.10896	3.2
187.40550	1.5
197.11684	2.5
197.13258	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	197.1173
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.00301	1.3
53.03948	1.3
55.01872	2.8
55.05504	12.8
56.96549	5.9
57.03423	2.4
64.32605	1.5
65.03934	2.0
67.05505	13.0
69.03417	31.9
69.07058	3.0
70.95853	21.6
71.04980	72.4
72.93780	11.0
79.05471	24.4
79.66380	1.5
81.03432	1.7
81.07046	54.7
83.08635	3.0
85.02928	1.5
87.04474	6.1
88.96894	5.6
90.94831	1.3
91.05468	30.9
92.08565	2.6
92.09182	8.7
93.07025	28.8
95.04955	14.4
95.08592	9.2
97.06538	2.7
97.40236	1.4
98.76398	1.3
99.04443	100.0
103.62212	1.2
105.07017	34.0
107.08585	27.4
109.06510	32.9
109.10143	11.9
111.04447	3.1
111.98435	13.4
115.03937	6.3
115.05426	2.4
117.06983	11.6
119.08569	78.3
121.06519	1.8
121.10088	1.9
123.08084	3.0
123.11725	11.6
129.99467	10.4
130.24747	1.3
131.08568	2.4
132.95827	30.8
133.10124	22.2
135.08043	6.4
137.09590	18.8
141.06993	1.9
147.24525	1.5
150.96873	61.0
150.98087	2.5
151.11176	42.9
153.09151	1.4
155.08482	10.2
155.97369	10.9
161.09601	7.5
167.08578	5.8
168.97917	2.7
169.10085	6.0
173.98485	32.7
179.10669	19.6
182.10892	10.1
188.90150	1.3
197.11668	5.6
197.13254	12.7
197.99275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03914	1.3
55.05489	1.4
56.59226	1.1
56.96549	2.2
59.13327	0.9
67.05477	2.1
69.03414	2.1
69.07051	2.2
70.95846	37.3
71.04975	4.1
72.93773	17.2
79.05472	7.4
81.07035	13.2
83.04980	1.2
88.96919	7.4
90.94801	4.9
91.05466	15.0
93.07024	57.5
95.04948	7.0
95.08602	4.0
97.06501	2.3
105.07013	26.8
107.08583	45.5
107.23635	0.9
107.83685	0.9
109.06522	10.9
109.10143	6.0
111.98463	24.0
115.05447	1.0
119.08551	9.5
121.06488	1.5
121.10138	8.8
123.08062	2.4
123.11684	6.6
129.99503	13.3
131.08556	1.5
132.95815	58.1
132.96767	2.2
133.06555	1.2
133.10103	48.5
135.07991	1.3
137.05937	2.3
137.09706	1.1
139.07495	1.4
149.09564	4.3
150.96870	100.0
151.07600	1.2
151.11171	25.6
155.08511	1.9
155.97383	21.4
161.09592	6.2
167.08528	1.6
167.10672	9.2
168.97948	4.9
173.98463	45.7
179.10620	15.3
182.10884	1.8
197.11697	17.6
197.13260	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.00296	0.8
53.03928	2.9
55.01865	16.6
55.05503	20.6
56.96311	0.8
56.96554	13.0
57.03422	5.3
57.07063	9.2
57.08190	0.5
59.04984	2.7
59.06620	0.7
62.78364	0.5
67.05141	0.9
67.05489	22.0
69.03414	10.9
69.07053	34.8
71.04978	8.6
72.25275	0.5
73.62617	0.5
79.05006	1.0
79.05466	23.3
81.03402	12.2
81.07034	48.2
83.04964	8.0
83.08601	11.1
85.02883	3.9
85.06520	16.2
91.05464	14.8
92.08679	1.3
93.07024	52.4
95.04955	6.6
95.08583	45.3
97.06500	4.4
97.10151	5.0
98.97575	1.2
99.04423	1.3
99.08072	25.7
101.05987	5.3
102.62666	0.6
103.05434	0.7
105.07008	13.8
107.04934	3.4
107.08572	38.9
107.09296	1.4
109.02857	3.8
109.06504	8.2
109.10134	11.8
111.08055	29.5
113.05956	0.9
113.09631	3.9
113.96345	0.8
116.03111	0.6
116.06200	0.7
116.98571	0.9
117.06989	3.7
118.12939	0.7
119.08566	6.5
121.06468	2.7
121.10119	100.0
123.03813	0.9
123.08024	2.4
123.11673	3.7
125.09629	7.5
125.13218	0.6
129.03833	1.0
129.07001	1.1
130.96262	1.0
131.00188	0.9
131.08554	4.4
133.10120	6.0
135.08020	3.2
135.11670	13.2
137.09599	9.2
137.13205	9.4
139.07472	0.8
139.11160	3.8
139.73453	0.6
141.28650	0.6
144.09349	0.6
147.01131	0.6
148.97343	1.3
149.01163	1.0
149.09612	2.9
149.13231	5.9
151.11118	4.3
154.06329	0.8
159.11650	6.2
163.03841	1.1
172.07500	1.1
177.09085	12.0
177.12717	3.6
177.16339	45.4
195.10133	12.5
195.11864	1.2
195.13725	8.9
195.15816	0.8
195.17424	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.43336	1.7
53.03938	5.1
55.01859	5.5
55.05505	27.1
55.62067	1.8
56.54660	2.1
56.96545	2.3
57.03418	15.5
57.06781	2.1
57.07066	62.4
59.04981	3.1
67.05499	44.1
69.03413	25.6
69.07066	17.2
71.04972	8.7
79.05479	42.3
81.03378	3.8
81.07040	95.0
83.04969	25.2
83.08604	3.1
85.02889	9.1
85.06530	79.0
87.08340	2.5
91.05460	34.8
93.07025	100.0
95.04927	15.0
95.08588	18.7
97.02859	4.8
97.06527	15.2
101.05979	19.1
105.07000	28.2
107.08575	50.5
109.06483	19.9
109.10130	4.5
111.08037	10.8
113.02370	3.0
113.05970	11.0
117.06998	10.3
119.08532	11.4
121.06463	11.4
121.10131	20.2
123.04437	2.3
123.08064	2.9
123.11686	3.9
125.12170	2.2
127.07516	3.9
129.06964	3.2
131.08557	14.7
133.10095	14.8
135.08058	3.7
135.11693	21.1
138.64368	2.8
139.07524	22.5
144.09332	4.0
149.09630	5.1
149.13255	8.9
151.11130	18.9
153.09058	5.1
159.11632	23.6
177.12737	4.4
195.13742	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.86405	0.6
53.03923	1.3
55.05501	0.7
57.03424	0.9
57.07071	100.0
65.17951	0.6
66.78710	0.6
67.05485	1.3
79.05482	1.6
81.07043	3.5
82.36579	0.8
85.06534	30.7
91.05465	13.7
93.07031	46.1
95.04952	11.6
95.08586	0.8
97.06522	0.9
105.04472	1.2
105.07031	0.9
107.08566	3.2
109.06528	2.7
117.07006	0.9
119.08493	1.0
121.06514	1.2
123.08051	1.1
131.08620	0.9
135.08092	2.6
135.11707	1.3
139.07553	3.4
151.11127	0.8
153.09108	1.5
159.11627	3.0
177.12704	1.6
195.13794	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	195.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01859	3.9
55.05500	10.7
56.96549	2.4
57.03432	7.7
57.07055	4.5
57.16715	0.8
60.68592	0.7
64.33479	0.9
65.03919	1.9
67.05150	1.4
67.05489	24.3
69.03400	5.5
69.07056	10.6
71.04977	7.6
71.21216	1.2
73.58480	1.0
77.03909	1.3
79.05473	35.8
81.03406	10.4
81.07034	42.7
83.04956	15.5
83.08564	1.3
85.02865	4.0
85.06153	0.9
85.06529	14.2
87.04435	1.2
89.86633	0.9
91.05460	43.8
93.07020	74.6
95.04943	100.0
95.08581	19.2
97.06493	7.8
99.04415	1.3
101.05988	1.7
103.05439	5.6
105.07008	59.0
107.04932	2.4
107.08574	62.4
109.02861	1.7
109.06505	16.3
109.10133	7.6
111.04414	1.3
115.05428	2.0
116.06253	1.4
117.06989	16.2
119.08560	30.8
121.06496	10.4
121.10118	47.2
122.07282	1.2
123.08035	6.6
123.11679	1.8
125.05937	3.7
125.09616	3.7
129.06953	5.5
130.07735	1.6
131.08533	22.2
133.09186	1.6
133.10117	28.8
135.08043	6.2
135.11676	19.7
144.09323	5.9
147.11691	4.2
149.09602	7.3
149.13216	9.6
151.11160	9.9
154.06204	4.1
159.11664	26.8
165.12689	1.4
177.12727	20.8
195.10023	1.4
195.13773	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.99580	1.7
53.03926	2.1
55.05511	31.3
56.96560	4.9
57.03434	22.5
57.07071	30.9
59.04969	3.2
62.33605	2.1
65.03931	2.2
65.78577	2.4
67.05502	61.7
69.03431	24.3
69.07066	22.1
71.04962	12.3
79.05479	46.1
81.03413	2.5
81.07042	100.0
83.04964	35.4
85.02895	10.2
85.06536	100.0
85.06940	2.3
91.05455	26.1
92.64004	2.6
93.07030	69.3
95.04945	10.3
95.08587	19.9
97.06519	16.4
101.05997	34.0
105.07033	27.0
107.08584	52.7
109.06508	20.0
109.10118	5.1
110.22738	2.4
111.08067	3.2
113.06004	5.9
117.07014	14.0
119.08562	16.5
121.06505	4.7
121.10103	19.9
123.08080	4.7
123.11686	5.8
129.07001	3.3
131.08565	17.1
133.10059	20.0
135.08041	4.0
135.11664	26.7
144.09299	5.1
148.91423	2.4
149.09511	2.4
149.13260	12.6
151.11154	29.8
159.11678	30.8
163.03938	4.2
177.12753	11.0
195.13786	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.99982	0.9
53.03939	1.6
54.18975	1.0
55.01855	5.5
55.05508	19.8
56.96551	1.9
57.03432	12.5
57.07060	8.8
58.45596	1.1
59.04973	1.6
64.33111	1.2
65.03878	1.4
67.05489	46.7
69.03400	8.2
69.07067	15.2
71.04975	5.7
79.05007	1.2
79.05473	40.6
81.03387	5.8
81.07040	100.0
83.04579	1.3
83.04962	18.1
83.08588	2.0
85.02878	5.5
85.06528	20.1
91.05456	30.8
93.07023	70.7
95.04946	17.6
95.08583	30.6
97.06512	10.0
99.08064	2.1
101.06042	9.1
105.07014	48.5
107.04900	2.7
107.08572	52.9
108.90176	1.2
109.06487	14.4
109.10127	6.6
111.08052	10.6
113.05987	1.9
115.05431	2.0
117.07011	15.0
119.08591	11.1
121.06479	10.8
121.10117	15.3
123.08064	5.4
123.11638	2.9
124.48409	1.2
125.09638	1.4
129.06970	5.1
130.07770	1.7
131.08551	20.1
133.10121	37.6
133.11108	1.6
135.08012	5.6
135.11667	40.8
137.09592	1.8
144.09314	6.0
149.09584	7.5
149.13237	13.2
151.11159	18.0
159.11635	22.3
177.12704	24.1
177.16273	2.6
195.13802	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.00304	1.0
53.03940	2.7
55.01862	1.3
55.05509	29.5
56.96561	10.4
57.03436	17.6
57.07073	25.5
59.04985	2.9
65.03931	1.3
67.05495	54.3
69.03410	18.7
69.07056	23.3
71.04980	10.3
79.05479	40.0
79.05905	2.2
81.03394	1.8
81.07043	100.0
83.04967	26.4
83.08568	1.4
84.96037	1.4
85.02897	8.1
85.06532	71.8
91.05470	22.4
92.08566	1.1
93.07027	54.2
95.04931	11.0
95.08591	15.5
97.02227	1.2
97.02888	2.2
97.06512	12.3
101.06008	29.0
105.06358	2.3
105.07011	23.3
107.08578	45.5
109.06504	20.2
109.10142	2.7
111.08096	4.5
113.05994	8.7
117.07018	6.6
119.08543	10.3
119.63207	1.3
121.06494	6.7
121.10126	15.6
123.08060	6.3
123.11707	5.4
125.62350	1.2
127.07591	1.5
129.07025	2.0
130.07669	1.4
131.08557	12.4
133.10132	20.0
135.11673	17.2
144.09383	6.1
147.03259	1.6
149.09546	2.1
149.13231	11.9
151.11186	20.0
159.11667	22.7
165.04399	1.7
177.09093	1.2
177.12723	9.5
195.13809	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03929	2.4
55.01859	3.9
55.05500	10.7
56.96549	2.4
57.03432	7.7
57.07055	4.5
57.16715	0.8
60.68592	0.7
64.33479	0.9
65.03919	1.9
67.05150	1.4
67.05489	24.3
69.03400	5.5
69.07056	10.6
71.04977	7.6
71.21216	1.2
73.58480	1.0
77.03909	1.3
79.05473	35.8
81.03406	10.4
81.07034	42.7
83.04956	15.5
83.08564	1.3
85.02865	4.0
85.06153	0.9
85.06529	14.2
87.04435	1.2
89.86633	0.9
91.05460	43.8
93.07020	74.6
95.04943	100.0
95.08581	19.2
97.06493	7.8
99.04415	1.3
101.05988	1.7
103.05439	5.6
105.07008	59.0
107.04932	2.4
107.08574	62.4
109.02861	1.7
109.06505	16.3
109.10133	7.6
111.04414	1.3
115.05428	2.0
116.06253	1.4
117.06989	16.2
119.08560	30.8
121.06496	10.4
121.10118	47.2
122.07282	1.2
123.08035	6.6
123.11679	1.8
125.05937	3.7
125.09616	3.7
129.06953	5.5
130.07735	1.6
131.08533	22.2
133.09186	1.6
133.10117	28.8
135.08043	6.2
135.11676	19.7
144.09323	5.9
147.11691	4.2
149.09602	7.3
149.13216	9.6
151.11160	9.9
154.06204	4.1
159.11664	26.8
165.12689	1.4
177.12727	20.8
195.10023	1.4
195.13773	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03926	3.1
55.01861	8.2
55.05508	21.6
56.96542	2.0
57.03430	18.6
57.07051	6.9
59.04996	1.8
67.05145	2.4
67.05489	56.7
69.03400	11.5
69.07043	17.6
71.04961	9.2
79.05471	53.8
81.03391	9.7
81.07037	100.0
83.04958	32.4
83.08581	2.2
85.02889	8.4
85.06524	21.2
87.04482	1.8
91.05457	48.8
92.09363	3.5
93.07021	95.6
95.04951	29.1
95.08578	29.9
96.71958	1.8
97.06522	17.0
101.05984	7.5
105.07017	77.2
107.04942	2.7
107.08575	83.9
109.06491	21.4
109.10136	10.6
111.08052	8.2
117.06976	22.6
118.75536	1.8
119.08566	17.9
121.06490	9.7
121.10091	16.9
122.07292	2.0
123.07983	1.9
123.11644	3.4
127.07457	2.2
129.07016	7.1
131.08569	31.9
133.09174	3.0
133.10106	51.6
133.63245	1.9
135.08069	4.2
135.11685	47.8
144.09311	7.8
149.09599	3.4
149.13202	15.8
151.11159	29.4
153.09001	1.9
159.10509	3.1
159.11670	44.5
177.12704	29.5
195.13770	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03930	2.2
54.81326	2.0
55.01860	2.5
55.05511	29.6
56.96556	2.2
57.03425	19.5
57.07072	30.2
59.04988	2.9
60.03838	1.5
65.03944	1.7
67.05491	57.8
67.95080	1.8
69.03421	23.4
69.07055	24.5
70.31208	2.1
71.04971	12.1
79.05479	34.4
81.03404	2.1
81.07039	100.0
83.04968	33.6
85.02896	10.7
85.06530	77.6
85.07011	3.7
91.05453	28.6
93.07021	57.6
95.04939	15.6
95.08600	17.5
97.06503	12.2
100.45374	2.0
100.89993	1.9
101.06001	29.0
101.70239	1.8
103.05466	2.7
105.07014	27.8
107.08572	44.8
109.06493	21.6
109.10160	8.0
111.08047	3.1
113.05988	4.8
117.07018	11.9
119.08513	18.0
121.06477	8.3
121.10141	20.7
123.08054	3.2
123.11647	2.9
127.07527	2.5
129.06955	4.1
131.08528	17.5
133.10083	17.6
135.08041	4.6
135.11699	19.4
144.09305	4.2
149.09558	2.7
149.13219	13.7
151.11165	26.1
154.06215	9.4
159.11668	31.7
163.03908	3.5
177.09152	2.3
177.12752	10.8
195.13799	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03933	7.6
55.01857	6.9
55.05502	24.5
56.81985	1.2
56.96544	4.1
57.03432	15.1
57.07069	12.7
65.03918	2.1
67.05141	2.5
67.05492	49.0
69.03405	14.0
69.07053	15.9
71.04965	12.4
79.05477	47.8
79.32735	1.5
81.03407	15.7
81.07039	83.5
83.04968	36.3
85.02888	7.1
85.06526	22.2
91.05462	60.6
93.07027	100.0
95.04949	30.0
95.08588	23.8
97.06530	12.5
101.05980	7.1
105.07015	69.4
107.04946	2.6
107.08575	70.5
109.02860	3.4
109.06515	23.2
109.10145	9.5
112.79450	1.9
115.05436	2.6
117.06993	28.6
118.38444	1.8
119.08546	22.8
121.06502	12.3
121.10149	20.8
122.07228	2.1
123.08057	3.3
123.11684	7.0
125.09605	7.9
129.07001	7.0
130.07732	2.9
130.96280	1.9
131.07634	2.2
131.08539	37.8
133.09172	3.3
133.10104	53.6
135.08034	7.9
135.11656	39.7
137.09570	6.9
142.07742	2.1
144.09308	10.3
149.09621	3.0
149.13263	13.7
151.11156	28.3
159.11678	34.4
177.12675	19.2
195.13843	17.5
195.15512	2.1
205.48576	1.8
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	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00298	0.9
53.03929	1.1
54.81894	0.5
55.01858	2.7
55.05504	1.0
57.03429	0.8
57.07065	0.7
59.89511	0.4
67.05497	3.0
68.96317	0.7
69.03400	1.8
69.07065	1.0
70.94269	0.5
71.04992	1.5
79.05479	14.9
81.03407	1.1
81.07043	7.9
83.04954	0.9
85.02881	1.9
85.06516	2.5
91.05466	10.6
93.07021	8.5
95.04954	6.0
95.08601	2.0
97.06514	2.5
103.05460	11.8
105.04513	0.4
105.07014	15.1
107.04942	100.0
107.08579	6.2
109.06507	2.4
109.98947	0.6
111.04309	0.4
115.05437	7.7
115.06181	0.8
116.06233	0.7
117.07007	4.1
119.08609	0.7
120.05710	2.2
121.06499	1.1
121.10112	1.1
130.96262	1.1
131.08537	2.1
133.10129	1.8
135.08031	20.2
135.11670	4.8
137.05965	0.6
139.07539	2.5
148.97382	2.4
149.13280	1.0
151.11180	1.0
153.97923	0.6
159.11652	1.7
163.03867	0.7
163.07513	31.8
165.05408	0.5
167.06938	3.4
171.98984	0.7
177.09195	0.6
177.12720	0.7
180.07785	1.9
181.63293	0.5
195.10121	7.3
195.13786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	ethyl 2-hydroxy-3-phenylpropanoate
Peak:m/z	Relative Intensity
53.00285	1.0
53.03941	9.1
53.96515	0.9
55.01860	5.5
55.05517	9.8
56.96552	5.0
57.03420	9.0
59.05002	0.9
63.55309	0.9
65.03938	1.1
67.05490	11.7
68.96317	5.1
69.03413	8.1
69.07062	8.7
70.94262	1.0
71.04986	13.0
73.02924	1.6
76.98154	0.9
77.03925	1.1
79.05473	34.5
81.03403	75.8
81.07039	27.0
81.07481	1.7
83.04961	4.5
85.02883	15.4
85.06512	2.5
88.31009	1.0
89.03893	9.9
91.05462	99.4
92.09295	1.3
93.07024	75.0
95.04951	12.8
95.08587	5.3
97.02856	5.7
97.06504	8.2
98.97580	6.0
99.04449	6.2
103.05440	5.6
105.04516	1.2
105.07015	41.7
107.04938	15.1
107.08569	18.2
109.02867	28.7
109.06504	5.1
109.10123	1.6
109.98959	4.5
111.04425	1.0
111.08086	2.2
113.96351	0.9
115.05482	6.9
116.06204	16.5
116.27587	1.2
116.98623	3.9
117.03368	22.1
117.06989	13.1
118.04269	1.0
119.04924	5.7
119.08559	30.6
121.06483	10.5
121.10120	21.2
123.08098	1.7
125.05976	1.4
127.03895	47.1
127.99963	1.6
129.06993	13.6
130.96288	6.3
131.08543	100.0
133.06429	1.0
133.10126	11.3
134.03651	4.8
134.99733	1.8
135.04391	6.6
135.08029	8.6
135.11684	5.3
137.09560	1.5
141.06987	3.8
144.05708	7.5
145.02834	29.2
147.08057	9.9
148.97336	12.5
149.05936	11.3
149.08450	1.0
149.09607	27.2
149.13246	2.0
151.07524	1.5
151.11176	1.9
153.97937	1.2
159.08028	19.6
159.11646	4.2
163.03868	4.7
165.09044	1.5
167.06990	1.1
171.98936	6.2
177.05452	28.9
177.09081	22.6
177.12688	4.9
178.11647	1.0
187.21182	1.0
195.10126	28.9
195.11736	1.6
195.13741	3.9
195.84686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	F 11334A2
Peak:m/z	Relative Intensity
52.09140	0.4
53.03925	0.5
55.05505	1.1
56.96545	0.7
64.91856	0.4
67.05501	3.4
68.90459	0.4
69.03400	2.0
69.07055	0.5
71.04964	0.8
71.90965	0.4
72.30529	0.5
79.05468	4.9
81.03409	5.4
81.07043	3.3
83.44998	0.4
85.02905	0.6
85.06528	0.5
91.05470	4.2
93.07026	32.2
95.04931	1.0
95.08596	0.6
97.02876	0.5
105.07017	4.3
107.04970	0.9
107.08606	3.5
109.02859	2.5
109.06510	0.5
112.47591	0.5
116.06166	0.5
117.06914	0.5
119.08584	1.9
121.02805	0.4
121.06485	1.1
121.10123	100.0
123.08062	0.7
123.83196	0.5
130.96280	1.8
131.08557	1.9
133.10159	0.8
135.07986	0.5
135.11684	0.9
148.97351	2.5
149.09584	2.0
154.06503	0.5
171.87956	0.5
177.09081	19.2
195.08446	1.0
195.10138	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01863	4.4
55.05507	5.2
55.89472	0.8
56.96561	4.8
57.03424	5.0
57.07075	1.6
62.39117	0.8
65.03925	5.9
67.05498	10.1
67.05787	1.1
69.03421	6.4
69.07053	5.8
71.04970	6.0
77.26486	0.8
79.05478	19.4
80.18570	1.0
81.03411	13.1
81.07043	21.9
83.04974	7.5
85.02411	1.1
85.02901	4.3
85.06534	6.7
88.63734	0.9
91.05471	18.4
93.03386	7.0
93.07034	26.8
94.07379	2.0
95.04942	8.7
95.08569	9.9
96.08946	1.7
97.02830	1.4
97.06512	6.5
99.04423	1.5
101.06008	3.8
103.04823	1.8
103.05452	23.8
105.07018	22.7
107.04938	33.9
107.05619	1.5
107.08585	24.1
108.08934	5.5
109.02885	5.3
109.06503	8.8
109.10152	4.2
111.04433	5.7
111.08105	1.1
115.05445	6.9
117.07001	6.2
119.08567	7.6
120.05715	1.9
121.06488	5.4
121.10136	5.2
123.11700	1.3
124.05238	2.0
125.05897	1.3
130.96252	2.1
131.04926	3.9
131.08553	7.5
133.06505	1.3
133.10118	6.2
135.08040	20.9
135.11662	15.4
136.12003	5.1
137.06056	1.0
137.09633	1.4
139.02814	1.4
139.03882	39.6
139.04910	2.0
148.97351	4.4
149.05901	1.1
149.09647	1.7
149.13239	1.8
151.11168	2.4
153.12740	9.0
154.06227	100.0
154.13058	8.1
154.98819	1.0
159.11690	5.2
163.07509	24.7
167.07001	2.1
171.98927	1.3
177.12794	4.9
180.07861	1.9
195.10207	9.4
195.13873	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01863	4.4
55.05507	5.2
55.89472	0.8
56.96561	4.8
57.03424	5.0
57.07075	1.6
62.39117	0.8
65.03925	5.9
67.05498	10.1
67.05787	1.1
69.03421	6.4
69.07053	5.8
71.04970	6.0
77.26486	0.8
79.05478	19.4
80.18570	1.0
81.03411	13.1
81.07043	21.9
83.04974	7.5
85.02411	1.1
85.02901	4.3
85.06534	6.7
88.63734	0.9
91.05471	18.4
93.03386	7.0
93.07034	26.8
94.07379	2.0
95.04942	8.7
95.08569	9.9
96.08946	1.7
97.02830	1.4
97.06512	6.5
99.04423	1.5
101.06008	3.8
103.04823	1.8
103.05452	23.8
105.07018	22.7
107.04938	33.9
107.05619	1.5
107.08585	24.1
108.08934	5.5
109.02885	5.3
109.06503	8.8
109.10152	4.2
111.04433	5.7
111.08105	1.1
115.05445	6.9
117.07001	6.2
119.08567	7.6
120.05715	1.9
121.06488	5.4
121.10136	5.2
123.11700	1.3
124.05238	2.0
125.05897	1.3
130.96252	2.1
131.04926	3.9
131.08553	7.5
133.06505	1.3
133.10118	6.2
135.08040	20.9
135.11662	15.4
136.12003	5.1
137.06056	1.0
137.09633	1.4
139.02814	1.4
139.03882	39.6
139.04910	2.0
148.97351	4.4
149.05901	1.1
149.09647	1.7
149.13239	1.8
151.11168	2.4
153.12740	9.0
154.06227	100.0
154.13058	8.1
154.98819	1.0
159.11690	5.2
163.07509	24.7
167.07001	2.1
171.98927	1.3
177.12794	4.9
180.07861	1.9
195.10207	9.4
195.13873	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01865	1.1
55.05484	0.5
57.03416	1.0
57.59375	0.5
65.03925	5.0
65.20379	0.4
67.05482	1.9
69.03413	1.1
69.07038	2.0
71.04967	0.6
79.05470	6.3
81.03412	1.0
81.07037	7.1
83.04964	0.8
85.02869	0.9
85.06555	1.5
91.05468	6.0
91.64796	0.5
93.03393	5.3
93.07034	5.2
95.04943	3.1
95.08575	1.1
97.06516	0.7
103.05449	21.0
105.06999	10.5
107.04939	20.8
107.08594	4.3
109.02847	0.7
109.06481	0.9
111.04420	5.2
115.05443	3.1
117.06984	1.1
119.08530	0.6
120.05699	0.7
121.06475	2.5
121.10143	0.6
124.05199	2.1
130.96358	0.6
131.04890	1.8
131.08543	2.3
133.10136	0.5
135.08020	13.9
135.11641	2.0
139.03879	31.0
145.06462	0.6
145.07567	0.7
147.04475	0.5
148.05206	0.8
148.97319	3.2
149.09575	0.5
151.11137	0.7
154.06223	100.0
159.11697	1.1
163.03909	0.6
163.07507	19.5
167.07008	2.4
171.98938	0.9
195.10110	5.5
195.13770	0.8
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	F 11334A2
Peak:m/z	Relative Intensity
54.81543	0.2
54.81853	0.2
55.05499	1.2
56.96555	0.4
60.07284	0.2
67.05497	2.5
69.03412	0.7
73.34426	0.2
78.17585	0.2
79.05482	3.7
81.07034	0.6
91.05476	3.1
92.08773	0.4
93.07027	29.5
95.04949	0.7
105.07014	3.1
105.55113	0.3
107.08584	1.1
117.06928	0.3
119.08608	0.5
121.10125	100.0
123.08015	0.4
131.08554	0.7
133.10098	0.3
135.04462	0.5
163.03882	0.5
166.02081	0.3
177.09077	19.9
195.10139	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	195.1016
Annotation	Kobifuranone B
Peak:m/z	Relative Intensity
53.00301	1.5
53.03932	3.1
53.28901	1.1
55.01851	7.3
55.05509	23.1
56.96547	3.0
57.03428	2.6
64.38616	1.4
67.05489	9.1
69.03423	35.1
71.04963	2.3
79.05479	27.8
81.07035	17.6
83.04955	2.6
83.08610	19.5
85.02897	33.8
86.32146	1.4
91.05466	84.9
93.07025	34.9
95.04945	12.4
95.08575	1.7
95.54678	1.4
97.02877	100.0
100.95742	1.4
103.05443	3.3
105.04451	1.5
105.07021	39.1
107.08574	13.8
109.06483	9.2
111.04462	2.4
113.02356	75.7
115.05431	8.1
116.06220	23.9
117.06982	2.7
119.08554	8.1
121.06482	23.2
121.10127	62.4
123.04416	6.9
123.08054	9.4
129.06969	14.9
129.69533	1.4
131.08546	90.5
133.06502	13.6
133.10075	3.7
135.08054	10.1
135.11687	1.9
135.45029	1.6
137.09610	2.8
149.09602	63.7
159.08041	27.4
162.06641	1.7
177.09085	71.6
186.98013	1.7
195.10184	1.9
195.13876	1.9
198.74507	1.4
211.23767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.0
53.03954	1.2
55.01859	5.0
55.05500	5.8
57.03426	2.1
64.00048	0.9
65.03899	3.7
67.05488	7.3
68.96328	1.8
69.03408	5.9
69.07061	4.5
70.94231	1.3
71.04972	2.4
79.05472	18.5
81.03403	5.3
81.07030	17.7
83.04949	5.6
83.08607	1.3
85.02881	2.4
85.06523	4.9
87.06067	1.0
91.05461	19.5
91.63718	1.2
93.03371	8.1
93.07019	20.8
95.04958	8.9
95.08589	4.9
97.02863	7.5
97.06495	4.1
101.05991	1.2
103.05448	27.0
105.07006	25.0
105.07658	1.5
107.04938	43.0
107.08571	17.9
109.02887	5.2
109.06509	6.8
109.10148	1.3
109.98930	4.8
111.04440	5.0
113.02363	4.8
115.05441	7.6
117.06982	4.5
119.08603	2.3
121.06476	6.4
121.10091	7.9
124.05184	1.5
129.07005	1.6
130.96289	8.8
131.04950	5.0
131.08577	8.9
133.10120	7.2
135.08032	17.9
135.11665	12.2
139.03883	37.7
145.06462	1.1
145.07571	1.3
148.97346	12.5
149.09622	6.0
149.13210	1.7
151.11179	2.6
153.97948	4.3
154.06221	100.0
159.08055	1.3
159.11674	5.2
163.03876	4.7
163.07518	24.4
167.06984	1.0
171.98943	5.3
177.09113	2.3
177.12721	4.4
195.10153	7.8
195.13780	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Kobifuranone B
Peak:m/z	Relative Intensity
51.24961	0.9
53.00319	1.0
53.03944	5.1
53.64745	0.8
55.01868	9.5
55.05506	26.5
56.96551	4.4
57.03423	4.2
57.07076	1.8
64.13522	1.0
65.03923	2.1
67.01888	1.4
67.05487	10.8
69.03417	37.6
69.07044	2.0
70.68793	0.9
71.04981	4.2
77.03909	1.5
79.05476	39.8
79.25737	1.0
81.03403	9.6
81.07044	31.4
83.04968	1.4
83.08607	22.4
85.02888	32.0
85.06551	2.1
91.05466	85.7
93.07026	63.9
94.54786	1.2
95.04933	12.7
95.08601	2.4
97.02874	100.0
97.06524	1.8
102.41324	1.0
103.05449	6.5
105.04524	1.2
105.06291	1.0
105.06420	0.9
105.07014	41.8
107.04929	6.1
107.08577	69.6
109.02900	5.3
109.06497	12.3
109.10133	1.2
111.04427	4.4
113.02352	71.8
115.05443	6.7
116.06219	22.0
117.07004	4.7
119.08578	9.0
121.06484	27.4
121.07314	1.4
121.10119	67.7
123.04417	6.2
123.08064	7.2
125.39921	1.0
129.06998	17.4
130.07788	1.3
131.03433	1.3
131.08548	83.5
133.02867	1.6
133.06479	5.9
133.10132	10.3
134.07227	1.3
135.04388	2.4
135.08044	16.0
135.11668	83.2
144.05653	2.2
149.08403	2.8
149.09596	79.4
149.13268	2.0
149.84055	1.0
151.11176	1.1
159.08034	32.9
159.11685	4.7
162.06787	1.1
163.03871	13.4
177.09084	74.0
177.12677	4.7
195.10126	4.7
195.13795	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.86665	0.3
53.03953	0.4
55.01852	0.3
57.03436	0.4
58.28136	0.4
58.82188	0.3
63.02355	0.4
65.03929	0.5
68.96321	1.5
69.03406	0.6
70.94241	0.6
71.62644	0.4
72.48264	0.4
72.93776	0.4
78.04691	0.8
79.05485	2.3
81.03394	5.3
81.07055	0.5
85.02900	1.0
89.03898	36.2
91.05460	4.9
93.07033	2.3
95.04967	1.0
97.02892	0.6
98.97565	0.9
103.05463	2.6
105.07031	0.7
106.04179	2.9
107.04945	3.1
107.08577	0.6
109.02871	1.7
109.06474	0.4
109.98919	0.9
111.04430	1.6
117.03360	76.9
121.06495	2.2
121.10175	0.5
123.37214	0.4
124.05179	0.7
124.60021	0.4
127.99982	0.7
129.06926	0.6
130.96283	2.7
131.08572	0.8
131.97472	0.4
134.03596	11.8
135.04399	9.8
145.02827	100.0
148.97321	4.9
149.05962	32.8
149.09616	0.6
153.97867	0.7
158.97433	0.4
162.03056	3.3
163.03862	10.6
171.98921	2.8
177.05431	90.9
182.13725	0.4
195.06503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.5
55.01855	12.2
55.05505	38.4
56.96559	30.0
57.03425	6.9
57.07051	2.9
65.03921	2.8
67.05493	31.2
69.03418	37.6
69.07052	30.1
71.04974	14.9
75.43343	1.5
79.05477	68.0
81.03400	29.9
81.07040	100.0
83.04954	11.0
83.08591	16.5
85.02890	24.4
85.06527	9.3
88.80157	1.7
91.05468	83.1
93.07027	84.8
95.04951	23.3
95.08593	58.2
97.02872	63.2
97.06518	10.6
97.10167	2.8
98.97580	2.2
99.04435	3.3
99.08110	3.7
101.05987	1.8
103.05441	8.9
105.06365	3.1
105.07016	56.6
107.04947	33.0
107.08579	67.5
109.02219	2.0
109.02864	14.0
109.06506	52.9
109.10125	18.0
111.04418	28.0
111.08103	2.2
111.11729	10.2
113.02358	27.3
115.05430	9.5
116.06239	15.2
117.07010	16.4
119.08551	21.4
121.06490	24.2
121.10118	68.8
123.04421	3.3
123.08033	14.7
123.11700	2.6
125.05984	2.8
127.03926	2.0
129.06956	8.4
130.96265	9.1
131.08546	58.7
133.06464	3.2
133.10126	14.9
135.04434	2.8
135.05539	1.8
135.08047	28.4
135.11670	22.0
136.08868	8.5
137.05963	19.9
137.09607	18.9
137.13228	2.0
141.06969	1.8
144.09270	2.1
145.06288	1.8
148.97366	9.3
149.09613	38.9
149.13243	7.6
151.07494	3.2
151.11223	7.8
159.08028	16.0
159.11674	7.5
163.03922	3.6
163.07510	3.4
171.98851	2.0
177.09099	41.1
177.12750	8.2
177.16351	38.5
195.10188	6.4
195.13776	10.1
195.17360	12.9
203.96376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	(-)-Gynuraone
Peak:m/z	Relative Intensity
55.01849	0.3
57.03430	0.4
59.04989	0.7
62.95908	0.3
65.03912	0.7
65.27051	0.3
67.01859	1.3
67.05486	1.4
68.99768	2.3
69.03057	0.6
69.03411	8.7
69.07049	0.4
79.05446	1.5
79.17403	0.3
81.03404	2.6
81.07031	2.3
83.04961	0.6
85.02863	0.3
85.06532	0.7
91.04974	0.3
91.05453	3.5
93.07018	4.6
95.04948	5.7
95.08567	0.4
97.02844	0.5
97.06499	0.3
104.07473	0.3
105.07021	2.4
107.04932	0.7
107.08565	3.4
109.02851	0.8
109.06493	0.8
109.98853	0.5
111.04433	1.4
117.06976	0.9
119.08562	3.6
121.02864	0.8
121.06473	1.7
121.10125	3.2
123.04414	9.6
127.03889	0.5
129.06984	0.4
130.96281	0.6
131.04971	0.4
131.08537	2.2
133.10088	0.6
135.08028	2.1
135.11687	2.2
139.03879	3.4
148.97400	0.5
149.02295	0.7
149.05968	1.4
149.09602	1.7
151.03888	12.5
153.01808	56.8
153.05426	1.9
159.08017	0.5
159.11630	2.0
166.60417	0.3
167.03336	2.4
171.02808	0.6
177.05472	3.9
177.09091	0.5
177.12744	1.9
182.96191	0.3
195.02882	7.6
195.06500	100.0
196.49292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03928	1.4
55.01866	0.7
55.05495	0.8
56.96552	1.0
57.03452	0.7
57.94435	0.5
64.38931	0.6
67.05486	0.6
68.71065	0.6
68.96316	3.7
69.03423	1.3
69.07057	0.9
69.98077	0.6
70.94218	0.8
71.04980	4.9
73.40672	0.6
73.50952	0.6
79.05451	2.3
81.03396	25.4
81.07058	1.0
85.02905	3.5
89.03898	36.8
89.67529	0.6
91.05443	6.1
93.07013	3.0
95.04992	1.5
98.97544	1.3
99.04411	0.8
103.05434	6.7
104.98874	0.6
105.07012	1.1
106.04134	2.8
107.04917	2.4
107.08578	2.7
109.02869	9.8
109.06530	0.7
109.98917	1.4
114.07095	0.6
116.98589	1.2
117.03356	76.2
121.06467	2.8
121.10123	0.7
123.08054	2.8
124.05257	0.7
127.03894	0.7
128.00002	0.7
129.04524	0.7
130.96266	4.4
131.04898	0.6
131.08539	1.5
134.03593	12.2
135.04402	9.9
135.08035	1.6
135.11742	0.9
142.79488	0.7
145.02827	100.0
145.26048	0.8
148.97346	10.0
149.05963	30.9
149.09500	0.8
153.97881	3.0
159.11685	0.7
160.08072	1.1
162.03091	2.8
163.03873	13.1
171.98940	4.3
177.05429	97.2
177.12740	1.1
178.05800	0.7
195.10150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45476	2.5
55.05498	2.8
56.96563	6.8
57.03436	6.3
69.07063	3.9
79.05468	12.2
81.07010	11.2
81.86797	3.0
91.05463	89.4
92.09188	4.5
92.44193	3.1
93.07029	6.2
94.07303	4.1
95.04920	5.0
95.08604	4.2
99.44289	3.7
101.83882	3.1
103.05426	46.8
104.06199	3.4
105.03365	4.9
105.07018	47.1
106.07349	8.0
107.04948	5.2
107.08569	6.7
108.05691	4.7
109.04117	15.2
113.96383	3.4
115.05411	13.2
116.06236	32.7
117.06984	4.9
118.04685	7.1
119.04917	100.0
120.08905	4.1
121.02382	3.2
121.06501	5.4
123.08050	8.0
127.05087	4.7
131.04918	63.1
132.05702	3.7
133.02827	18.9
133.06476	50.9
134.07304	3.9
136.05164	5.9
137.05933	3.9
141.69707	3.6
144.05705	5.2
147.04420	43.5
148.12154	4.3
149.06009	4.5
151.07492	53.3
153.81493	4.0
157.35995	4.3
161.05978	18.3
163.07498	37.7
165.05399	4.2
177.09023	5.7
179.06960	55.8
194.09343	86.3
194.15323	5.6
199.02718	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	195.0651
Annotation	Speciosin D
Peak:m/z	Relative Intensity
53.03937	0.7
53.05431	0.3
54.81870	0.4
55.01848	0.4
55.05502	3.1
56.96548	1.9
57.03418	0.9
57.07060	0.7
67.01858	0.9
67.05488	3.8
68.96310	0.5
68.99765	2.0
69.03419	8.6
69.07056	3.2
71.04958	1.6
79.05476	4.5
81.03398	6.1
81.07034	6.7
83.04937	1.7
85.02888	0.8
85.06519	2.5
91.05468	4.4
92.08695	0.7
93.07033	6.0
95.04948	3.7
95.08572	2.3
97.02863	0.5
97.06502	2.6
98.97563	3.2
99.04404	0.5
101.06013	0.6
105.07021	4.3
107.04920	1.6
107.08588	4.9
109.02867	2.4
109.06479	1.9
109.98929	0.6
111.00784	0.4
111.08076	0.4
116.06198	0.4
116.98593	1.5
117.06981	1.6
119.08550	2.3
121.06475	2.3
121.10094	3.0
123.04386	8.3
123.08041	0.6
125.05990	1.4
128.02271	0.8
130.96248	0.9
131.08543	2.3
133.10107	3.9
135.08072	0.7
135.11673	3.5
139.03883	3.1
141.05623	0.4
144.09338	0.6
148.97342	2.5
149.05969	1.5
149.09639	0.8
149.13232	3.2
151.03885	13.7
151.07642	0.5
151.11157	0.5
153.01810	54.6
153.05450	2.1
153.97812	0.5
158.99596	0.5
159.11639	3.6
171.98923	0.8
177.00710	0.5
177.05426	4.6
177.09158	0.5
177.12679	3.6
192.06482	0.5
195.06499	100.0
195.13760	1.9
209.73396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03899	1.3
55.01860	1.6
55.05490	8.9
57.07051	5.4
62.47853	1.1
62.77994	1.2
67.05482	9.1
69.03432	11.2
69.07057	19.9
69.93346	1.2
79.05467	7.4
81.07041	21.1
83.04953	6.7
91.05466	11.3
93.07022	25.1
95.04932	6.7
95.08587	22.3
97.06524	22.6
105.07028	13.8
107.08575	13.6
108.05709	2.1
109.06497	15.4
109.10160	19.1
119.08567	11.6
121.10145	2.3
121.19831	1.4
123.08025	7.0
123.11686	27.5
133.10121	12.7
135.11652	7.3
137.09589	23.2
147.11626	2.6
149.13214	2.3
150.10402	6.4
151.11191	3.4
175.14783	6.5
189.98979	1.4
193.15845	100.0
199.18462	1.4
207.23773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03928	2.8
55.01860	2.8
55.05508	41.4
56.96560	7.8
57.03439	3.6
57.07066	4.5
59.04989	9.2
67.05500	36.4
69.03418	12.3
69.07056	19.2
71.04967	9.7
79.05474	29.5
81.07042	51.9
83.04967	30.0
83.08608	4.3
85.06544	4.2
91.05464	44.6
93.07032	50.6
95.04951	22.5
95.08586	51.7
97.06509	7.6
99.04438	3.8
103.05431	3.5
105.07015	100.0
107.04951	3.3
107.08588	65.3
109.06506	20.6
109.10146	54.4
111.04439	3.2
111.08072	7.7
115.05431	3.1
117.06972	4.1
118.04150	7.7
119.04874	1.9
119.08559	79.6
121.06480	3.3
121.10143	29.0
123.04396	3.1
123.08023	31.4
123.11679	4.7
129.06946	4.2
131.03514	2.0
131.08549	11.1
133.06503	13.3
133.10110	70.3
135.08034	4.2
135.11679	74.7
135.12677	3.3
137.09601	18.0
142.07767	15.9
145.10112	4.0
147.11650	34.3
149.09613	3.5
149.13260	10.2
151.11200	8.7
151.14839	3.5
157.10107	10.2
161.05959	3.5
165.09064	2.0
165.12708	4.7
175.11172	21.3
175.14796	33.4
193.08623	4.1
193.12288	21.2
193.15871	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.61349	0.6
53.00295	1.3
53.03942	3.3
55.01864	1.6
55.05511	18.6
56.96548	3.5
57.03428	3.2
57.07060	4.6
58.29198	0.8
59.04975	1.7
59.47844	0.6
65.03915	1.3
67.05494	17.5
69.03406	4.5
69.07057	19.4
71.04978	6.3
79.05476	32.9
81.03403	0.8
81.07039	46.7
83.04967	14.6
83.08595	1.8
85.02863	1.3
85.06555	1.6
88.25557	0.7
91.04896	0.9
91.05461	29.1
93.07023	66.6
95.04939	10.3
95.08588	25.1
97.06495	1.7
99.04409	3.4
100.02473	1.2
103.05437	3.5
105.07011	66.8
107.04956	3.9
107.08579	63.3
108.08910	0.8
109.06493	10.3
109.10151	16.2
111.04423	3.4
111.08076	1.0
115.05368	0.8
117.06985	4.9
118.04158	3.3
119.04910	1.4
119.08562	41.3
121.06474	4.6
121.10132	8.4
123.08036	6.5
123.11676	13.8
125.05984	1.5
129.07018	3.1
131.08551	8.4
133.06471	10.3
133.10109	51.7
135.08029	4.8
135.11670	100.0
136.11870	0.7
137.06000	1.6
137.09584	6.1
137.13228	3.1
142.07721	4.8
145.10129	1.9
147.07985	1.7
147.11661	15.6
149.09596	4.4
149.13289	1.5
151.07547	1.0
151.11140	4.2
157.10117	3.5
159.11752	1.0
160.60704	1.3
163.11095	1.0
165.09071	1.4
165.12718	5.4
175.11229	6.2
175.14786	26.6
177.31616	0.8
193.08582	4.3
193.12177	12.1
193.15863	18.3
199.71535	0.8
206.12779	0.9
209.82249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.85319	3.6
55.05500	28.2
59.05007	3.7
60.50465	3.6
67.05480	29.8
68.47401	3.7
69.03419	8.0
69.07043	20.0
79.05473	7.5
81.07045	43.9
83.04967	28.8
91.05441	8.2
92.09365	8.2
93.07014	27.7
95.08591	49.2
105.06992	34.5
107.08580	76.1
109.06511	19.0
109.10148	83.1
111.08020	9.0
119.08557	54.7
121.10152	31.9
123.08047	39.7
123.11752	7.8
133.10118	54.0
135.11667	100.0
137.09593	21.9
149.13234	18.8
151.11240	8.0
159.94701	5.1
175.14751	33.5
193.15849	73.7
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
53.03927	2.2
55.01847	3.0
55.05507	23.3
57.07055	4.8
58.20224	1.7
67.05499	19.4
69.03413	11.3
69.06783	1.7
69.07056	26.4
71.04965	8.1
78.68793	1.9
79.05472	26.5
81.07040	41.4
83.04970	23.3
83.08582	2.3
85.06507	2.4
91.05469	36.4
93.06493	3.2
93.07025	63.6
95.04961	21.5
95.08574	30.5
97.06517	21.9
103.05438	2.4
105.07011	64.4
107.08577	38.1
108.05666	2.3
109.06510	24.2
109.10141	30.5
111.08074	2.1
111.21149	2.1
115.05434	2.0
117.06973	3.7
118.04075	2.2
119.08560	48.4
121.06482	2.6
121.10102	9.4
123.08015	9.3
123.11687	32.8
129.06966	3.8
131.08496	7.2
132.29721	1.9
133.06453	8.4
133.10106	44.0
135.08044	3.6
135.11679	38.2
137.09579	25.4
142.07745	3.1
145.10150	2.9
147.08044	3.0
147.11678	20.2
149.09627	4.0
149.13223	4.6
150.10406	2.8
151.11151	7.9
165.09180	2.3
165.12741	4.5
175.11163	7.4
175.14804	21.1
182.11600	1.9
193.08572	3.6
193.12221	9.7
193.15863	100.0
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
51.40824	0.9
53.03944	1.0
55.01863	1.7
55.05272	1.4
55.05508	29.0
56.96547	1.8
57.03416	3.4
57.07064	2.1
60.43897	0.9
64.33327	1.0
65.03902	1.2
67.05493	15.8
69.03400	6.0
69.07056	30.2
70.57304	1.0
71.04971	4.4
79.05476	18.5
81.06599	1.5
81.07040	28.3
83.04965	24.8
83.08589	4.1
85.06531	4.3
91.04964	1.4
91.05465	28.5
93.07029	18.4
95.04926	8.5
95.08595	16.3
97.06494	2.3
103.02350	0.9
103.05444	1.4
105.07014	62.9
107.08577	27.1
109.06490	12.2
109.10137	17.9
109.66653	1.1
111.04413	1.9
111.08091	1.5
115.05405	1.6
116.06187	1.8
117.06983	5.8
119.08559	100.0
120.09353	1.4
121.06464	1.9
121.10131	16.9
123.08013	6.3
123.11642	6.7
128.06187	1.0
129.06906	2.8
131.08531	10.3
133.06477	8.8
133.10103	90.7
135.08022	1.8
135.11647	10.1
135.33720	1.1
137.09589	4.8
142.07756	3.6
145.10109	10.0
147.04376	11.1
147.08015	2.3
147.11664	14.1
149.09596	1.7
151.11157	2.4
157.10086	2.1
160.12457	1.7
161.05940	5.6
165.12766	1.4
173.13205	4.4
175.07527	1.2
175.11145	4.0
175.14787	97.8
183.67628	0.9
193.12204	5.3
193.15857	9.4
196.13510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.36313	1.5
53.00811	1.7
53.03924	2.6
55.01863	2.2
55.05505	31.6
56.96561	2.9
57.03431	2.1
60.79994	1.5
67.05493	4.4
68.67567	1.7
69.03423	2.4
69.07034	2.2
71.04977	15.7
75.27946	1.9
79.05481	18.8
81.07032	23.7
83.04964	20.7
83.29410	2.1
91.05463	42.1
93.07024	24.2
95.04935	13.2
95.08626	7.3
97.06562	2.6
99.04437	25.9
103.05434	2.0
105.07010	100.0
107.08591	10.9
109.06505	3.7
109.10152	2.4
111.04400	2.1
115.05441	2.8
119.08555	46.1
121.06435	2.0
121.10126	1.9
123.04461	2.1
124.05179	2.2
129.06979	3.1
131.08542	11.6
133.06476	8.2
133.10103	81.0
135.08020	2.8
142.07744	10.2
145.06474	1.9
147.08069	2.9
147.11656	30.6
151.11172	2.0
157.10127	9.3
161.05998	1.8
175.11174	9.3
193.12172	14.9
210.91885	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.00384	1.5
52.50481	1.3
53.03929	3.4
55.01863	6.8
55.05505	17.0
55.40876	1.2
56.96542	1.7
57.03415	1.2
57.07055	6.8
59.04994	2.3
60.67965	1.3
65.03914	2.7
67.05499	23.5
69.03426	13.2
69.07057	25.8
71.04970	2.0
79.05477	43.3
81.03376	1.7
81.06594	2.3
81.07040	38.3
83.04978	18.0
83.08620	2.5
91.05466	40.5
93.07030	43.7
95.04961	20.7
95.08595	26.7
97.06522	19.1
103.05457	18.6
104.06241	3.0
105.07020	100.0
107.04945	14.3
107.08579	31.1
108.05753	3.4
109.06511	20.0
109.10148	24.1
111.04392	3.2
115.05457	10.2
117.06989	5.5
118.04139	15.7
119.04948	2.7
119.08567	34.8
120.05758	5.4
121.06474	11.2
121.10146	7.5
122.03590	1.9
122.07270	3.6
123.08036	6.8
123.11683	24.6
131.04910	3.5
131.08531	2.8
133.06471	41.4
133.10117	33.6
134.07220	2.1
135.04398	9.1
135.08037	7.6
135.11659	22.4
135.45224	1.8
137.05991	12.8
137.09627	21.9
147.07968	1.8
147.11665	15.4
149.09596	2.7
149.13268	3.6
150.06755	12.6
150.10388	2.5
151.07500	1.8
151.11163	8.4
157.10068	2.0
165.09082	21.5
165.12788	2.1
175.11168	3.2
175.14810	17.1
178.06139	2.1
193.08614	18.9
193.12222	9.9
193.15857	77.7
194.54225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03933	1.6
55.05506	22.1
59.04981	2.6
59.45108	1.3
67.05478	3.7
69.07046	7.3
70.26374	1.5
71.04964	7.4
73.12845	1.5
77.71500	1.8
79.05493	13.4
81.07029	18.6
83.04969	3.2
91.05460	33.5
93.07018	23.0
95.04944	4.3
95.08573	7.7
99.04417	15.0
105.07014	88.0
107.08575	7.8
109.06490	6.4
119.08559	54.0
121.10145	7.0
129.06993	6.1
131.08528	12.7
133.06396	3.1
133.10106	100.0
142.07774	8.3
145.10062	2.0
147.07970	2.3
147.11661	24.8
157.10097	8.9
165.12700	33.0
175.11159	19.9
193.12181	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.77205	1.3
53.24077	1.5
53.99764	1.4
54.61682	1.5
55.01852	1.9
55.05500	25.7
55.11692	1.5
56.37931	1.4
58.19865	1.3
59.04992	2.3
67.05479	8.8
69.07047	3.4
71.04961	10.4
79.05461	11.1
81.07040	20.9
83.04962	10.0
85.06551	2.2
85.90916	1.5
91.05458	40.4
92.08750	7.6
93.07018	22.8
95.04935	7.7
95.08586	4.1
99.04432	7.3
105.07013	88.3
105.92659	1.6
107.08562	8.3
108.09363	1.8
109.06493	6.5
109.09306	1.8
109.10117	1.5
111.04385	2.6
116.27517	2.0
117.07022	1.9
119.04961	1.6
119.08555	50.2
121.10143	3.0
123.11723	3.4
129.07013	4.2
131.08513	11.7
133.06435	2.6
133.10103	100.0
142.07742	10.1
147.11644	24.6
157.10094	10.6
165.12651	16.4
169.38799	1.6
175.11168	20.9
175.48309	1.5
193.12212	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.05501	7.4
65.16965	1.5
67.05494	6.4
69.03426	1.6
70.22523	1.3
71.04992	2.0
73.45565	1.2
75.01367	1.6
76.85045	1.3
79.05485	13.8
81.07040	29.8
82.78873	1.3
83.04960	6.9
91.05463	16.5
93.07021	17.2
94.91662	1.5
95.04958	10.6
95.08585	3.6
97.06503	2.4
98.31487	1.8
98.97576	1.4
99.04449	1.7
103.50904	1.3
105.07016	31.6
105.89468	1.3
107.08565	12.0
109.06526	8.4
115.05418	2.8
117.06995	2.9
119.08566	18.0
121.06513	6.1
121.10135	2.6
129.06992	9.0
131.08539	11.7
133.06476	3.3
133.10083	19.4
135.07961	5.1
141.06978	6.2
142.07755	63.0
145.06456	1.9
145.10097	3.2
147.08026	2.4
147.11664	13.3
149.09593	6.8
157.10109	100.0
160.08830	2.9
175.07640	1.5
175.11143	41.1
175.14769	1.9
191.40155	1.8
193.08568	2.0
193.12218	27.6
193.15935	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0707
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.03935	5.6
55.01864	8.5
55.05507	16.6
57.03434	7.5
59.04984	4.4
61.02911	4.2
65.03929	14.8
67.05497	29.5
68.99771	2.4
69.03417	95.4
70.06617	1.0
71.01344	1.3
71.04961	2.3
73.02897	5.3
75.04460	2.1
81.03400	2.5
82.57262	0.9
83.04967	98.1
85.02891	38.3
87.00814	6.2
87.04437	14.4
89.48869	0.9
91.05503	1.5
92.09330	3.7
93.03384	21.5
94.02750	1.0
95.04950	83.2
97.02877	26.7
98.09691	1.4
99.04433	4.5
100.07624	1.1
101.05989	2.4
105.04490	1.6
109.02856	1.5
111.00819	1.2
111.04428	100.0
115.03885	2.1
121.02838	9.3
127.03873	1.6
129.01790	1.9
129.05455	53.3
131.03304	1.3
133.06358	1.1
134.98878	1.0
136.06186	1.1
137.06175	0.9
137.17885	1.2
139.03885	28.2
147.06493	20.0
157.04915	9.3
175.05939	1.6
176.07138	1.9
192.15858	1.9
192.94380	1.0
193.07092	1.6
193.16121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
55.01870	10.0
55.05507	40.4
56.96556	9.3
57.03426	3.6
67.05486	19.0
69.03417	3.7
69.07051	15.5
71.04971	9.5
79.05479	33.7
81.07041	51.6
82.02602	2.4
83.04958	41.3
85.06527	4.9
90.25289	2.3
91.05454	57.1
93.07028	39.6
95.04950	24.4
95.08569	21.7
97.06522	4.0
97.99186	2.8
99.04463	4.4
105.07014	100.0
107.04949	4.4
107.08584	34.8
109.06503	26.4
109.10152	5.0
111.04414	5.8
117.07021	11.8
119.04924	2.9
119.08556	53.8
120.35356	2.5
121.03969	2.4
121.06497	10.0
121.10140	10.8
123.08044	14.6
125.05981	2.9
129.06955	10.6
131.08537	17.1
133.06494	12.0
133.10103	56.7
135.07993	18.2
135.34087	2.8
137.09631	3.3
142.07761	12.9
145.10123	4.2
147.08020	27.7
147.11679	28.9
149.09618	9.3
151.11162	12.1
157.10074	22.7
160.15172	2.5
165.12701	18.8
166.41481	2.4
175.11140	36.5
193.12207	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	192.1383
Annotation	Phendimetrazine
Peak:m/z	Relative Intensity
55.01841	0.3
55.05493	0.6
56.62794	0.3
56.96544	0.5
62.70238	0.3
62.73974	0.3
67.05469	0.6
69.07063	0.5
70.81870	0.3
76.97277	0.3
79.05458	0.6
80.15965	0.3
81.07017	1.3
85.24501	0.4
91.05434	0.6
93.07008	0.7
94.07337	0.3
95.04980	0.3
95.08595	0.5
105.07018	2.7
107.08566	1.8
109.10110	2.5
110.06016	1.2
114.37637	0.3
116.21262	0.3
117.07021	0.4
119.08526	0.4
120.13746	0.3
121.10160	0.5
126.63621	0.4
129.06914	0.3
133.06471	1.4
133.10091	1.8
133.21490	0.4
134.05981	5.7
136.07518	2.2
147.06764	0.6
147.11650	1.3
148.07535	4.5
148.08556	0.4
149.08330	7.8
150.09164	2.6
157.10057	0.4
160.08781	0.3
162.09117	14.8
175.11024	0.4
176.10616	0.7
177.11450	24.4
190.12210	0.4
192.13788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03927	1.9
55.01855	1.7
55.05270	1.4
55.05510	29.6
56.96546	2.9
57.07077	8.8
59.62494	1.0
63.53885	1.2
64.33505	1.3
67.05490	20.3
69.07052	27.8
69.40816	1.2
71.04958	2.2
76.30075	1.0
79.05477	33.8
81.07047	37.4
83.04994	1.2
83.08607	17.9
91.05460	20.3
92.09296	1.3
93.07026	68.7
95.04958	4.7
95.08589	72.0
95.09203	2.5
97.10136	13.6
102.59380	1.2
103.05411	1.4
105.07018	25.3
107.04929	1.7
107.08580	99.0
108.32793	1.4
109.06499	2.9
109.10141	41.2
117.07050	2.5
119.08549	7.9
121.06496	35.1
121.10126	100.0
123.08055	5.2
123.11646	5.5
125.05206	3.0
129.06963	4.9
130.07771	1.6
131.05530	2.8
131.08534	12.2
133.10117	11.6
134.05809	1.6
135.08037	10.5
135.10651	2.2
135.11671	51.9
145.10118	9.4
147.08012	1.8
147.11691	5.4
148.08849	2.9
149.06558	6.1
149.09593	12.0
149.13239	13.1
150.06812	1.5
154.32172	1.4
161.09589	12.1
163.11192	2.6
167.59627	1.7
173.09499	2.7
173.13197	9.0
176.11891	2.3
185.77965	1.3
191.10631	9.9
191.14287	73.9
191.17903	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85877	1.8
55.05516	17.3
57.07069	8.2
67.05489	19.9
68.85460	1.7
69.07059	48.1
71.97315	2.1
79.05481	14.7
81.07038	40.3
83.08597	11.2
85.53883	2.1
85.66498	1.8
89.75027	1.8
91.05486	15.5
93.07028	74.2
95.08597	40.4
96.61461	2.2
97.10168	5.2
105.07002	13.0
107.08586	100.0
109.06507	3.9
109.10146	45.1
110.52418	2.3
111.11684	2.7
119.08594	2.8
121.10126	38.9
123.11672	9.8
133.10080	2.4
135.11678	58.0
149.13194	10.9
191.14307	3.4
191.17934	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	2.3
55.05503	29.9
56.96545	2.4
57.07055	3.8
67.05490	33.9
69.07053	44.3
75.51674	1.8
79.05473	39.5
79.75856	1.9
81.07039	79.8
83.08613	14.5
85.59867	1.9
91.05446	18.3
93.07027	87.4
95.04956	5.5
95.08588	80.2
97.10142	10.4
105.04442	2.6
105.06995	24.1
107.04880	2.4
107.08574	99.7
107.56850	2.4
109.10143	68.5
117.06981	3.0
119.08553	11.9
121.06460	30.2
121.10125	62.7
123.11697	11.1
131.08534	14.3
133.10098	13.5
135.10654	3.7
135.11673	100.0
135.43134	2.3
145.10092	3.7
147.11667	12.6
149.13280	16.3
163.14920	2.1
169.40030	2.1
173.13213	2.9
183.32269	2.3
191.14288	24.3
191.17929	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	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91132	1.1
53.03934	1.9
55.05507	31.9
55.55144	1.0
56.96560	5.9
57.07066	5.6
64.33746	1.1
65.21945	1.2
67.05494	35.0
69.07056	27.1
73.30363	1.2
76.56616	1.4
79.05473	29.0
81.07039	89.9
83.08605	15.1
91.05468	16.8
92.08697	2.5
93.07023	63.1
95.04952	2.7
95.08586	100.0
97.10149	10.9
105.07023	10.8
107.08576	63.1
109.06538	1.4
109.10146	52.7
111.11745	1.6
117.07001	2.6
119.08564	2.9
121.06412	2.1
121.10127	45.6
123.11697	5.2
124.83669	1.4
128.06226	1.9
131.08553	5.9
133.10100	6.3
135.08066	5.7
135.11668	63.7
137.69728	1.2
143.08540	5.0
145.10077	5.5
147.11635	2.2
149.13249	11.5
161.09601	6.3
173.09575	2.0
173.13103	1.5
191.10660	7.8
191.14337	12.8
191.16069	1.8
191.16325	1.8
191.17911	48.0
209.32086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05514	22.4
57.07056	1.5
61.71255	1.5
62.90900	1.6
65.03957	2.2
67.05503	17.2
69.07055	47.1
73.06045	1.6
79.05479	18.9
81.07041	34.0
83.08610	13.2
84.72351	1.8
91.05466	14.4
93.07023	62.7
95.04951	3.6
95.08584	32.8
97.10159	9.5
105.07037	10.3
107.08572	100.0
109.06534	3.0
109.10158	34.2
111.11721	3.0
119.08514	2.8
121.06509	2.1
121.10123	39.4
123.11700	10.8
131.08549	2.1
131.67400	2.1
135.11678	63.7
145.10120	3.7
147.11665	3.5
149.13252	8.9
191.10638	4.2
191.14337	3.4
191.17911	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.06227	2.4
55.05515	24.4
57.07070	4.8
58.91815	2.1
59.17551	2.2
67.05492	23.7
69.07056	48.6
79.05479	22.0
79.05862	2.3
81.07037	38.0
83.08595	17.3
84.57677	2.1
91.05458	18.2
93.07027	85.2
95.08594	53.4
97.10147	11.0
105.07044	4.9
107.08582	100.0
109.10144	63.0
121.10128	61.6
123.11687	6.2
135.11665	68.7
135.14058	2.4
149.13216	14.7
160.80305	2.7
191.14334	4.9
191.17935	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03936	1.5
55.01875	1.7
55.05502	21.9
56.09294	1.2
56.96552	8.5
57.07074	2.9
58.86411	1.5
61.72536	1.3
67.05496	25.7
69.07061	20.8
72.60123	1.4
79.05480	34.8
81.07040	46.9
83.08607	9.0
91.05466	21.5
93.07027	56.7
95.04938	9.4
95.08588	52.4
97.06511	1.7
100.69296	1.7
105.07020	39.3
107.04917	2.4
107.08584	58.5
107.83483	1.4
109.09462	3.0
109.10137	35.2
111.69184	1.5
112.13744	1.6
116.06184	3.2
117.06981	11.2
119.08585	11.4
121.06480	21.8
121.10130	37.9
123.08001	1.8
123.11630	2.8
129.06975	6.4
130.07791	9.3
131.08537	23.2
133.10135	12.9
135.08006	7.0
135.11674	59.0
143.08598	2.2
145.10100	48.4
147.11700	11.5
149.09628	6.4
149.13219	6.8
153.07043	2.5
155.08537	27.3
158.07253	43.5
158.10831	1.8
163.11113	2.2
173.09589	100.0
173.13225	3.2
176.11845	1.9
191.10672	12.8
191.14305	29.7
191.17960	32.6
193.72923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71543	1.7
55.05508	17.3
57.07075	4.1
57.66845	1.7
59.52901	1.8
67.05495	19.5
69.06708	3.8
69.07057	52.0
78.06211	2.4
79.05477	15.0
81.07046	30.4
83.08611	11.0
91.05463	13.4
93.07030	60.7
95.08587	34.4
97.10148	4.5
105.07008	9.4
107.08585	100.0
109.10153	39.8
121.10126	38.8
123.11685	8.9
135.11673	57.1
149.13242	4.6
160.61955	2.1
191.17920	40.3
214.66351	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.35340	1.1
53.03952	1.7
54.81970	1.2
55.01854	7.5
55.05503	15.6
56.96544	5.5
57.03415	1.4
57.07060	2.4
59.04982	1.3
65.03929	1.5
66.64241	1.2
67.05489	22.9
69.03404	8.6
69.07053	37.3
71.04989	1.2
79.05473	34.7
81.03384	1.9
81.07037	57.3
83.04984	2.8
83.08597	8.2
91.05463	29.6
93.07026	64.7
95.04956	12.4
95.08588	38.9
96.18956	1.3
97.06493	3.3
97.10163	2.3
99.31886	1.5
103.05464	3.5
105.07009	34.3
107.08576	54.9
109.06483	3.0
109.10142	24.4
116.06196	1.7
117.07008	12.3
119.04910	1.9
119.08559	19.0
121.06485	24.6
121.10133	34.2
123.08047	3.2
123.11697	2.1
128.06157	1.8
129.06982	2.9
131.08562	23.9
133.10106	25.1
135.08022	15.4
135.11667	43.1
137.09634	1.6
143.08540	5.7
145.10120	16.9
147.08009	3.4
147.11664	33.2
149.05956	2.8
149.09608	6.4
149.13261	14.8
158.07262	1.8
158.10899	1.5
161.09587	10.4
163.11172	6.0
163.14819	2.6
173.09647	2.9
173.13194	13.0
191.10646	13.9
191.14287	100.0
191.17908	22.3
211.78889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.80465	1.2
53.00275	1.2
53.57562	1.3
54.81730	1.6
55.05309	1.2
55.05508	20.4
57.07061	9.1
58.26540	1.3
60.99509	1.6
67.05495	16.4
69.06718	2.4
69.07059	49.5
79.05466	13.2
81.07037	34.1
83.08588	11.4
83.62351	1.6
83.69437	1.8
89.54002	1.5
91.05468	16.6
91.17395	1.3
93.07031	67.8
95.08598	38.0
97.10131	9.3
105.07025	10.6
107.07864	3.6
107.08588	100.0
109.06542	6.2
109.10146	50.9
121.10124	40.2
123.11699	15.3
135.11674	71.6
149.13219	8.2
191.14301	2.4
191.17920	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.01161	1.3
54.61182	1.6
54.81450	1.7
55.01861	2.3
55.05512	37.8
56.96552	11.0
57.07058	8.5
58.01650	1.6
58.11026	1.9
58.95430	1.6
59.01603	1.5
60.15751	1.6
60.97224	1.7
67.05492	37.1
68.50644	1.9
69.07054	47.4
79.05473	33.1
81.06603	3.5
81.07045	61.9
83.08614	17.0
91.05463	19.5
93.07025	79.7
95.04933	2.2
95.08006	3.3
95.08585	65.7
97.10132	12.3
105.07022	19.4
106.18866	1.7
107.02589	4.5
107.08579	100.0
109.06521	2.7
109.10138	51.5
114.03323	4.3
116.03058	7.3
117.06998	2.6
119.08524	10.5
121.06490	22.2
121.10126	56.7
123.03863	17.0
123.11697	8.4
131.08563	9.2
132.04279	2.1
133.10121	3.4
134.54614	2.3
135.08035	3.1
135.11668	84.3
137.44914	1.8
145.10072	3.6
147.11684	4.1
148.08846	2.5
149.13222	14.4
176.11945	2.2
191.10597	2.8
191.14291	22.3
191.16147	3.0
191.17912	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.36907	1.7
54.81633	2.6
55.05508	45.1
56.34713	2.0
56.96549	9.3
57.07060	15.0
67.05493	27.4
69.07056	62.9
79.05482	26.6
81.07034	40.7
83.08611	25.8
91.05461	14.1
93.07024	83.0
95.04946	3.6
95.08579	67.0
97.10133	15.1
105.07027	16.9
107.07867	3.8
107.08580	100.0
109.06532	3.0
109.10153	41.2
109.67304	2.1
119.08572	4.3
121.10126	85.4
123.08024	2.3
123.11671	5.0
127.68208	2.1
131.08534	4.4
133.10149	3.1
135.07948	2.3
135.11671	84.3
137.70428	2.0
145.10095	2.7
149.13266	15.7
160.79930	2.3
163.14821	2.8
173.13232	2.6
176.85155	2.0
191.10643	3.7
191.14276	14.3
191.17938	64.2
194.87518	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.9
56.96550	3.9
57.07061	4.1
67.05499	17.7
68.26186	2.1
69.07059	50.2
79.05474	17.0
81.07050	41.8
83.08614	13.3
91.05476	20.7
93.07028	74.4
93.07571	4.2
95.08594	41.6
97.10169	5.6
97.22259	3.1
105.07029	14.5
107.08582	100.0
109.06548	2.9
109.10143	44.8
111.11728	2.8
114.37316	3.3
119.08597	3.3
120.38801	2.5
121.06515	2.9
121.10118	39.0
123.11696	4.8
126.96215	2.9
130.49983	2.5
131.08611	2.6
132.20183	2.4
133.10114	4.3
135.11681	62.9
149.13284	13.4
173.13055	3.7
191.14293	3.5
191.17952	41.6
206.91272	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.80761	0.8
51.97494	0.9
53.03950	1.8
53.83900	1.1
54.81618	1.1
55.05511	24.6
56.76297	1.2
56.96566	1.9
57.07072	6.7
61.51817	1.0
67.05506	26.6
69.07060	51.7
79.05489	19.4
79.16943	1.2
81.07046	40.3
83.08607	10.3
85.06512	1.5
87.74660	1.1
91.05468	20.0
92.08710	1.7
92.84110	1.2
93.07034	74.4
95.04962	5.7
95.08595	49.8
97.10131	11.9
103.38451	1.1
105.07012	20.2
107.02618	1.6
107.08588	100.0
109.06525	6.9
109.10152	48.4
111.11719	1.3
117.07024	5.6
119.06067	1.5
119.08600	9.7
121.06513	2.8
121.10133	43.4
123.04449	1.8
123.08057	1.5
123.11698	12.1
129.06960	1.4
130.07750	2.3
131.08595	6.6
133.10149	6.2
135.08099	2.9
135.10658	2.7
135.11681	66.2
137.05405	1.9
145.06514	1.5
145.10132	13.1
147.08049	2.2
149.09648	1.6
149.13272	9.1
158.07251	5.6
173.09637	4.7
173.13272	6.5
191.10669	9.7
191.14297	12.6
191.17915	46.9
202.01012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	36.0
56.96567	22.5
57.07058	10.2
59.76412	2.6
64.35181	2.7
67.05495	24.6
69.07069	38.9
76.56699	2.3
79.05492	24.1
80.46432	2.5
81.07053	43.7
83.08607	22.5
91.05456	21.4
92.08623	3.3
93.07030	83.6
95.04931	6.1
95.08593	62.7
97.10154	16.1
105.07028	21.3
107.08587	100.0
109.10140	45.2
117.07034	2.9
119.08527	5.6
121.09274	3.9
121.10133	93.9
122.14191	2.7
123.11681	5.3
131.08566	3.4
133.10062	5.1
135.11670	81.0
145.10155	3.9
149.13269	15.2
191.14304	11.8
191.17920	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76681	1.8
55.05509	35.3
55.18102	1.9
55.26353	1.8
56.96557	1.9
57.07072	4.6
65.03944	2.2
67.05489	30.7
69.07056	53.9
74.24831	2.4
79.05470	29.4
81.07038	50.7
83.08601	17.3
91.05472	23.7
93.07021	79.4
95.04910	5.2
95.08588	51.0
97.10149	11.8
100.02459	2.7
103.29251	2.2
105.07011	28.0
107.07869	4.5
107.08582	100.0
109.06459	3.8
109.09476	3.6
109.10142	54.1
112.30360	2.5
117.07001	4.2
119.08541	14.0
121.06479	13.5
121.10123	64.5
123.04419	2.3
123.11699	8.9
131.08569	19.1
133.10104	11.3
135.08092	2.6
135.11668	72.3
145.10141	16.9
148.08781	3.1
149.09575	3.7
149.13220	12.9
173.09526	3.6
173.13321	4.3
191.10640	9.9
191.14276	25.0
191.17915	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.72473	1.4
55.05505	21.1
57.07063	3.3
67.05489	19.3
69.07053	47.4
79.05470	19.5
81.07041	35.5
83.08592	14.0
91.05473	11.2
93.07026	74.4
95.04951	2.0
95.08584	38.8
97.10149	8.4
105.07011	9.9
107.08577	100.0
109.06507	3.3
109.10138	45.8
121.10128	47.9
123.11696	11.2
131.08557	2.2
133.10121	2.9
135.11678	67.4
135.98941	1.6
149.09581	2.3
149.13231	14.6
191.14267	8.9
191.17911	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90026	1.8
55.01867	3.7
55.05496	10.1
57.03423	1.5
57.07061	4.2
58.77739	1.5
59.05000	2.1
59.54170	1.7
59.87585	1.6
67.05502	17.8
69.03421	32.9
69.07055	14.7
71.04970	2.7
79.05474	13.7
81.07034	12.2
83.04975	23.3
83.08595	2.6
91.05466	27.1
92.08561	1.9
92.09087	10.1
93.07037	23.9
95.04964	3.4
95.08581	11.9
105.07010	34.0
107.04896	3.2
107.08580	50.2
109.06517	12.5
109.10150	45.3
112.83530	1.9
115.05476	2.5
117.06984	8.3
119.08570	19.7
119.96300	1.8
121.06499	12.8
121.10130	28.3
122.07251	2.9
123.08064	3.4
129.06969	6.9
130.07761	3.0
131.08556	32.5
133.10114	70.2
135.08046	24.8
135.11674	4.2
136.08788	2.7
137.09586	7.3
143.08574	8.6
144.09302	3.4
145.10095	18.8
147.08003	2.1
147.11662	10.9
149.09583	9.5
149.13216	8.8
158.10863	14.8
160.42317	1.8
161.09566	14.1
163.11205	3.3
173.13240	29.9
176.11974	1.8
191.10678	2.1
191.14281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61617	1.0
53.03941	1.1
55.05500	5.7
57.05591	0.9
59.04980	1.8
67.05494	4.2
68.63432	1.0
69.03423	1.6
69.07047	5.5
71.04973	1.9
74.98609	1.2
79.05453	8.8
81.07030	10.1
83.04958	1.2
83.08614	2.0
91.05476	19.9
93.07030	14.0
95.04943	2.1
95.08595	8.6
97.06512	6.5
105.07014	42.0
107.08572	16.2
109.06498	1.8
109.10098	2.4
115.05373	1.1
117.06990	6.8
118.07796	1.2
119.08569	14.3
121.06490	4.3
121.10123	7.5
123.08035	1.9
128.17195	1.1
129.07014	2.6
130.07886	1.2
131.08545	30.4
133.10107	100.0
135.08049	7.7
135.11659	4.3
143.08545	6.7
144.09319	1.8
145.10095	13.1
147.11664	6.7
149.09587	2.8
149.13260	7.4
158.10915	9.0
163.14801	1.5
173.13222	32.1
191.10670	2.8
191.14250	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.26875	1.6
54.30012	1.9
54.81696	2.1
55.01865	2.7
55.05494	13.2
57.07065	3.4
58.91606	1.8
65.27588	1.7
67.05486	5.2
69.03416	36.9
69.07059	14.5
71.04992	2.2
72.03609	2.3
79.05479	15.5
81.03378	2.2
81.07039	8.2
83.04974	28.1
83.08600	3.7
91.05462	24.2
93.07054	17.2
95.04926	4.5
95.08590	10.0
97.06544	2.6
105.07006	32.3
107.04961	2.7
107.08577	54.4
109.06496	8.6
109.10155	3.3
117.07005	8.5
119.08565	18.7
121.06449	17.9
121.10130	20.1
123.08076	3.0
129.07004	2.6
131.08542	36.1
133.10110	63.3
135.08041	22.6
136.08813	3.4
137.09593	10.8
143.08569	15.3
144.09311	2.2
145.10123	13.5
147.08066	2.9
147.11647	14.8
149.09599	7.9
149.13261	12.0
158.10857	19.6
161.09573	17.6
173.13229	30.3
176.11989	4.8
191.10667	3.3
191.14291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.19007	0.5
51.82816	0.6
55.05497	4.5
60.92248	0.8
67.05475	1.9
69.03408	6.6
69.07038	1.4
72.05618	0.7
79.05482	4.3
81.07037	4.8
91.05455	5.7
92.09299	1.9
93.07016	5.0
95.08578	1.1
105.07000	15.5
107.04919	0.8
107.08578	17.8
109.06477	1.4
109.10133	3.3
117.07002	1.6
119.08543	4.2
121.10113	12.3
122.07242	5.2
123.08067	1.1
131.08554	3.9
133.10095	100.0
135.08009	1.7
137.09578	19.4
143.08524	0.8
145.10083	3.0
147.11667	1.6
149.13245	7.7
153.88733	0.8
157.09531	0.7
158.10883	1.1
173.13222	5.2
191.14258	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	2.7
55.05497	10.6
56.96542	5.5
57.03431	2.1
67.05490	11.9
69.03412	2.9
69.07058	15.9
79.05466	24.1
81.07043	13.8
83.04948	2.1
83.08646	2.6
85.02907	2.2
91.05461	50.3
93.07032	53.1
95.04961	12.3
95.08596	9.9
97.06499	2.7
103.05449	4.7
104.92110	2.6
105.04583	2.4
105.07017	52.0
107.04955	5.2
107.08582	100.0
109.06515	9.8
109.10150	4.2
115.05439	3.8
117.07018	25.5
119.08575	59.1
121.06516	30.8
121.10143	47.9
123.07963	2.7
129.06952	4.9
130.07758	9.5
130.13576	2.7
131.04932	4.7
131.08542	26.6
133.10124	30.9
135.07967	7.5
135.11661	11.5
143.08530	9.7
145.06465	9.6
145.10120	60.6
147.11694	11.8
149.05940	4.8
149.09595	4.3
149.13229	9.9
158.06961	2.7
158.10901	5.2
163.07532	14.8
163.11214	3.5
163.14806	11.9
165.31451	2.2
173.09590	13.6
173.13252	26.8
191.10667	17.1
191.14247	48.9
191.49345	2.2
195.08212	2.5
214.03842	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	2.5
54.81366	1.5
55.01864	7.4
55.05503	20.5
56.93865	1.4
56.96547	3.8
57.07069	2.5
59.04988	14.6
60.51151	1.8
67.05494	20.1
69.07059	17.6
71.04978	8.2
74.47930	2.0
79.05479	33.4
81.07042	80.8
83.04982	10.7
83.08609	3.2
83.36270	2.2
85.06515	3.0
91.05460	58.0
92.08643	4.3
93.07019	60.1
95.04941	17.5
95.08598	33.8
97.06526	8.9
105.07015	100.0
107.04939	3.4
107.08575	66.7
109.06511	26.6
109.10156	21.7
111.08103	2.3
115.05365	1.9
116.06179	2.0
117.07040	14.3
119.08585	35.7
121.06505	12.3
121.10110	34.4
123.08082	3.8
126.59469	1.8
129.06998	2.5
131.08559	62.2
132.28133	1.8
133.10115	86.2
135.08022	19.4
135.11668	15.7
136.64732	2.2
136.97798	1.9
143.08560	4.1
144.09329	2.1
145.10109	27.3
147.08011	2.2
147.11671	21.9
149.09593	19.5
149.13234	16.0
158.10921	9.1
163.14804	7.9
173.13232	45.1
191.10641	4.1
191.14276	90.8
191.15904	3.9
191.17999	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.8
55.05504	14.6
56.96556	2.1
57.07067	2.6
57.10590	1.7
59.04962	2.4
65.40118	1.7
67.05494	14.9
69.07062	13.6
79.05478	22.3
81.07040	45.4
83.04996	2.4
83.08612	3.3
91.05460	31.6
93.07026	46.3
95.04938	7.5
95.08557	15.8
105.07014	71.0
107.04927	2.9
107.08581	39.6
109.06496	17.8
109.10124	9.2
115.05454	2.8
115.47717	1.9
117.06997	3.3
119.08569	23.2
121.06474	11.4
121.10131	21.6
129.07040	2.2
130.07722	2.0
131.08546	36.4
133.10104	100.0
135.08022	14.7
135.11697	16.1
143.08525	4.6
144.09358	2.0
145.10107	20.4
147.11713	3.9
149.09593	10.9
149.13258	4.3
158.07230	2.2
158.10837	2.7
161.09465	2.3
163.14735	2.0
173.09575	3.4
173.13205	23.2
191.10637	8.4
191.14262	35.5
191.17894	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	191.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89877	0.2
55.05488	0.4
55.28699	0.3
56.96564	2.4
57.03422	0.3
58.06594	0.4
58.87793	0.2
65.03927	0.3
69.07058	0.4
72.93764	0.3
73.02903	0.7
79.05470	0.5
81.07040	0.6
83.04926	0.3
85.02870	0.3
91.05454	2.9
92.09286	0.4
93.07018	0.6
98.97547	1.8
105.07001	0.6
106.06527	3.8
107.08608	0.4
110.97554	0.7
111.04374	0.4
116.98585	0.4
117.05762	0.7
118.06527	5.6
120.04399	0.3
125.02386	0.4
128.98584	1.4
132.04417	0.5
134.05997	21.8
139.03876	0.5
145.07605	0.7
145.10043	0.6
146.05997	26.7
146.99648	0.7
147.06067	0.3
149.01117	0.5
150.96861	0.4
153.69197	0.3
155.06023	1.9
156.06802	0.6
162.05475	100.0
172.06273	1.7
173.02769	0.8
173.07083	11.3
173.09456	0.5
174.05479	20.9
191.08154	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.56162	1.7
55.01870	4.2
55.05503	16.2
57.96240	1.9
59.05001	3.0
61.19224	1.9
62.70034	1.9
67.05492	10.1
69.07067	10.8
69.71078	2.0
73.21497	1.7
76.55611	2.3
79.05483	27.9
81.07040	66.2
83.04958	5.2
83.08607	2.0
85.91087	2.0
91.05460	43.8
92.08915	4.0
93.07025	46.8
95.04969	3.6
95.08588	27.9
95.95178	2.2
97.27670	2.0
105.07013	85.5
107.08573	39.6
109.06490	15.3
109.10153	9.6
111.08088	2.4
112.71262	2.1
117.07020	5.1
119.08578	13.8
120.83115	1.8
121.06499	13.0
121.10148	14.0
129.06979	3.5
131.08534	45.9
131.39893	2.2
133.10110	100.0
135.08049	11.1
135.11679	9.9
145.10121	21.5
147.11703	12.6
149.09592	13.0
149.13249	8.7
158.10898	3.5
163.14748	2.5
173.13260	25.2
191.10704	11.8
191.14267	43.4
191.17923	2.9
213.19386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.4
56.96558	3.2
57.07047	1.5
62.55315	1.6
67.05501	17.7
69.07055	14.0
79.05475	18.1
81.07041	52.3
83.08597	2.7
91.05459	34.0
93.07021	28.3
95.08016	2.7
95.08591	64.7
105.07017	100.0
107.08576	33.0
109.10141	19.8
117.06964	3.2
119.08563	83.1
121.06435	2.7
121.10109	13.6
131.08534	14.9
133.10104	71.7
143.08539	4.5
145.10120	10.1
147.08044	7.0
147.11673	40.1
156.09282	3.6
161.09595	2.3
161.13234	16.3
171.11612	3.3
174.10365	1.9
189.12703	21.2
189.16364	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03934	1.1
54.81726	1.5
55.05506	17.3
56.96555	1.2
59.05337	1.3
61.67757	1.1
67.05497	22.2
69.07053	12.2
76.85107	1.3
79.05470	19.4
81.07037	62.8
83.08591	1.6
91.05470	32.1
93.07027	32.9
95.04897	1.6
95.08012	2.5
95.08589	67.2
97.10147	1.6
105.07015	85.4
107.08578	36.4
109.06443	1.5
109.10145	24.4
117.06989	5.5
119.08562	73.3
121.10107	12.1
129.06960	1.6
130.07710	1.4
131.08545	10.7
133.10110	78.5
139.00252	1.4
143.08511	2.3
145.10141	11.0
146.10950	2.2
147.08054	1.5
147.11674	39.8
156.09357	5.5
161.13158	13.9
171.11578	2.4
178.62915	1.2
189.12740	15.2
189.16353	100.0
207.96385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.31744	1.3
54.26574	1.2
55.05507	13.5
56.96544	7.8
57.07062	1.5
65.03925	1.4
67.05213	1.1
67.05495	16.0
69.07047	13.4
69.53136	1.3
72.20210	1.4
73.18540	1.4
79.05486	13.8
80.75165	1.8
80.90424	1.4
81.07037	45.2
81.07475	2.4
83.08595	6.7
91.05463	33.3
93.07015	15.9
95.04943	2.2
95.08585	48.5
105.07011	100.0
107.08575	27.4
109.10135	19.2
117.06993	6.7
118.07796	1.3
119.08562	76.8
121.10136	11.6
128.06218	2.2
131.08549	15.2
133.10109	88.2
143.08539	3.4
145.10141	11.6
146.10733	1.5
147.08014	1.6
147.11664	40.4
153.72754	1.7
156.09323	2.0
159.11702	2.7
161.09506	1.6
161.13235	9.2
189.09007	1.6
189.12712	9.7
189.16364	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.21048	1.8
53.03949	3.0
55.05503	14.3
56.96564	3.2
67.05491	18.7
68.82709	1.7
69.03394	2.3
69.07055	16.1
79.05461	24.2
81.07032	43.0
81.07476	2.7
83.08608	2.3
84.04510	2.4
91.05453	41.4
93.07021	18.9
93.86328	1.9
95.04952	8.7
95.08591	53.0
98.24319	2.0
103.05427	2.0
105.07011	100.0
107.08570	24.9
109.06501	2.6
109.10151	12.3
115.05444	2.1
117.06992	14.4
119.08554	86.7
121.10123	13.7
123.11694	2.4
128.02106	2.1
128.06210	14.4
129.06996	8.9
131.08528	18.8
133.10103	80.1
133.50453	1.8
141.06984	10.4
143.08563	17.9
144.20615	2.1
145.06493	2.0
145.10114	8.6
147.08035	4.1
147.11662	32.7
153.07037	3.3
156.09311	11.9
159.08005	18.2
159.11755	2.4
160.12454	2.1
161.09624	4.1
161.13232	17.2
166.29433	2.0
171.11678	11.0
174.10378	9.1
189.05583	2.9
189.09058	8.6
189.12700	30.7
189.16344	81.3
192.41902	1.9
195.08685	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.07189	1.6
50.46907	1.6
53.92238	1.6
55.05487	13.6
67.05489	23.1
69.07042	11.9
79.05465	14.1
81.07040	62.5
83.08597	8.3
84.08942	3.8
88.78152	1.8
89.11723	2.0
91.05456	35.7
93.07021	38.0
95.04975	2.5
95.08586	85.2
105.07016	82.0
107.08577	35.8
109.06488	2.3
109.10141	24.2
114.97131	2.1
119.08568	70.3
121.10120	9.8
131.08542	11.6
133.10106	75.5
143.08484	2.3
145.10088	10.1
147.11668	35.4
150.16005	2.7
161.13246	17.3
171.11668	2.6
189.12744	16.6
189.16354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03944	1.7
53.98905	1.4
55.05506	13.0
56.96556	2.3
57.07051	1.9
67.05499	18.0
68.08017	1.4
69.03412	1.7
69.07053	12.3
77.67745	1.5
78.04663	1.5
79.05492	12.7
81.07040	41.7
86.33437	1.7
91.04898	1.9
91.05463	54.4
93.07018	18.3
95.04972	3.2
95.08585	38.9
97.00186	1.7
105.07018	96.2
107.08574	31.6
108.38429	1.8
109.06471	1.8
109.10136	21.0
110.75964	1.9
115.43142	1.5
117.06996	9.1
119.08562	60.7
120.59486	1.7
121.10120	6.9
130.07761	2.0
131.08543	11.9
131.70471	1.8
133.06505	1.6
133.10112	100.0
134.10831	1.6
143.08606	1.8
145.10114	9.9
146.10847	7.3
147.08009	3.7
147.11662	30.3
156.09291	9.9
159.11610	1.6
161.13223	7.5
164.08569	1.5
171.11674	3.3
189.12750	14.4
189.16348	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56645	2.3
55.05511	2.5
59.04982	2.5
60.30806	2.3
67.05475	3.2
69.03417	4.0
74.80175	2.7
79.05486	5.9
81.07034	13.6
91.05476	31.3
93.07036	9.7
95.08582	10.8
105.07027	50.7
107.08575	11.9
116.06226	5.0
117.06997	3.9
119.08573	46.8
128.06183	10.0
129.06982	13.6
130.07794	9.5
131.08545	100.0
133.06499	3.6
133.10110	17.5
141.06973	11.9
143.08536	12.9
144.09377	3.5
145.10114	35.1
147.08049	10.9
147.11665	52.7
153.12659	4.2
156.09315	59.5
159.08015	3.2
159.11629	5.6
161.13310	4.4
171.11655	38.2
174.10435	5.6
189.09129	4.5
189.12720	77.5
189.16335	12.0
196.66293	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	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05504	12.2
56.61532	1.3
56.96552	5.4
57.07063	1.5
67.05493	22.2
69.07053	13.6
79.05476	18.7
81.07039	56.2
83.08617	6.2
91.05464	34.0
92.45568	1.4
93.07029	37.6
95.04955	1.9
95.08583	77.3
97.06521	2.5
105.07014	80.2
107.08571	31.9
109.10141	22.4
114.28508	1.6
119.08561	61.1
121.10081	8.7
122.66554	1.7
123.11674	1.9
129.06992	2.3
131.08511	8.9
133.06451	3.6
133.10110	84.1
135.11674	2.0
143.08554	2.7
145.10100	5.7
146.10902	2.2
147.08101	2.3
147.11665	31.6
147.75058	1.7
159.08073	1.9
161.13269	15.1
169.47205	1.7
171.11583	2.8
184.79282	1.9
189.09093	2.5
189.12723	15.0
189.16344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07084	2.5
50.17556	2.6
55.05500	3.1
55.74511	3.1
56.95351	3.0
66.19503	3.5
69.03419	8.3
76.68199	2.9
79.05477	4.1
81.07040	5.4
91.05465	21.8
93.06972	4.2
95.08639	3.8
96.22275	4.0
105.07014	34.6
107.08595	4.7
119.08572	62.4
125.76425	3.5
128.06165	5.7
129.06989	4.2
130.07750	5.4
131.08566	7.5
133.06442	4.7
133.10112	17.6
141.06982	7.3
143.08548	7.2
145.10143	15.1
147.08037	23.7
147.11676	45.3
156.09352	45.3
159.08054	18.4
160.08830	5.0
161.09590	6.5
161.13245	20.2
171.11612	39.1
174.10367	33.0
189.12711	100.0
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
54.78817	2.5
57.95821	2.6
67.05478	4.9
69.03391	5.1
75.88640	3.0
81.07030	5.2
86.33273	2.9
91.05478	29.4
95.76689	3.4
98.25954	3.3
105.07018	49.0
107.08588	5.0
114.83765	3.3
115.05442	3.7
117.07014	6.0
119.08552	52.4
128.06229	7.7
130.07794	6.1
131.08571	21.6
133.06483	13.2
133.10136	14.3
141.06960	21.4
143.08563	18.9
144.09386	3.3
145.10114	44.9
147.07965	6.8
147.11662	41.8
155.08537	4.5
156.09328	93.7
159.08044	18.0
159.11673	15.0
161.09575	5.5
171.11667	68.6
171.49591	3.1
174.10406	12.7
189.09128	6.9
189.12726	100.0
189.77090	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.3
67.05495	7.5
69.03420	8.8
71.04961	10.0
79.05452	7.4
81.07035	32.0
91.05460	32.7
93.07004	29.0
95.08597	13.8
103.05440	5.7
105.07014	80.0
107.08563	28.7
119.08573	70.8
121.10111	7.8
124.30119	5.5
128.06184	10.1
129.06981	14.7
130.07721	6.3
131.08505	33.2
133.06445	8.5
133.10066	46.3
141.06970	14.6
143.08536	9.0
145.10095	34.1
147.08075	11.9
147.11661	45.2
153.12677	6.8
156.09326	75.0
159.08061	7.4
159.11630	13.9
161.13232	6.2
171.11708	69.5
189.09100	9.9
189.12709	100.0
189.16325	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.3
56.96542	5.4
59.04959	1.6
61.34888	1.3
67.05476	1.9
69.07066	1.8
70.09910	1.2
79.05465	1.9
81.07030	7.8
87.07003	1.2
91.05452	11.7
93.07011	5.1
95.08601	8.6
105.07015	48.8
107.08558	4.7
109.10124	4.4
115.05423	1.7
117.07021	2.8
119.08543	19.5
120.91953	1.1
121.10104	1.7
128.06142	9.3
129.06961	7.0
131.08533	5.0
133.10098	17.9
141.06955	7.4
142.07759	7.6
143.08556	27.9
144.97131	1.2
145.10109	7.7
146.10860	1.5
147.08032	8.9
147.11678	10.1
155.07338	1.5
155.08549	4.9
156.09315	100.0
159.11682	1.2
161.13235	1.2
171.07990	1.7
171.11649	64.8
189.07182	1.3
189.12715	68.8
189.14513	2.2
189.16295	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	189.0392
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
51.30917	3.4
53.69709	2.5
55.01868	94.4
55.36860	2.6
57.03178	4.5
57.03431	91.3
59.04980	13.9
61.02903	7.5
63.89189	2.8
69.22528	2.6
71.00986	3.3
71.01341	68.5
71.04985	4.7
72.08143	4.7
72.96562	2.9
73.02911	39.0
75.04464	3.6
75.09759	3.1
83.01322	21.9
85.02908	3.8
87.00823	3.4
87.04448	53.0
89.02380	4.5
100.03923	3.5
101.02358	100.0
103.03954	4.8
111.00787	13.4
113.02307	3.5
115.03903	87.6
129.01814	41.2
142.08665	4.5
143.03389	5.0
143.08894	4.0
145.77429	3.4
157.01305	77.8
189.06209	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.7
67.05502	3.2
69.03408	4.0
77.45538	1.8
79.05460	9.6
81.07056	13.7
83.04967	2.3
91.04950	2.1
91.05465	26.8
92.64791	1.9
93.07012	7.1
95.04955	3.6
95.08587	12.3
105.07013	100.0
107.08569	10.7
109.06506	3.7
112.98811	1.8
116.06232	3.6
119.08564	54.5
121.06499	2.6
128.06230	7.2
129.06964	8.4
130.07799	2.1
131.08539	53.1
133.06407	6.9
133.10097	25.3
141.06926	7.8
143.08522	16.0
145.10114	17.9
146.10892	2.1
147.08049	9.7
147.11664	22.7
156.09308	33.7
158.44681	2.0
159.08028	3.9
159.11684	3.9
160.08833	2.1
161.09576	4.3
161.13216	10.9
171.11623	26.3
174.10347	3.8
189.12717	59.6
189.16325	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	188.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17174	0.7
53.03929	1.1
55.05509	1.5
56.35670	0.7
56.94324	0.6
56.96555	1.5
57.13224	0.6
59.04988	8.8
67.05485	4.3
69.07030	0.6
76.11134	0.6
79.05466	3.3
81.07049	1.0
84.04504	1.4
87.64923	0.7
91.05466	10.1
93.07026	100.0
94.09406	0.6
95.04959	2.8
95.08588	74.3
97.06524	0.7
105.07017	5.4
107.08582	90.4
109.10159	0.8
114.36594	0.7
119.08577	0.7
121.21844	0.7
135.11670	61.3
153.12723	4.7
170.11414	0.7
173.02869	0.8
191.80716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.32997	0.7
53.35724	0.8
54.81659	0.8
56.96550	1.6
58.80781	0.8
80.87945	0.8
84.50448	0.7
91.05462	5.6
112.40785	0.9
112.62852	1.0
115.05455	9.3
117.05716	1.7
117.06980	6.6
118.06516	98.4
118.85337	0.9
142.06485	10.6
142.21423	0.9
143.07283	16.9
144.08052	28.2
146.05984	100.0
160.07567	1.0
170.05974	11.2
188.07027	22.1
200.23953	1.0
207.62027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54803	0.5
54.31900	0.6
55.05497	1.3
56.05020	1.5
56.96551	5.0
57.03417	1.6
58.54052	0.6
59.04972	3.4
60.04506	0.8
61.02916	10.4
65.74158	0.6
66.63963	0.6
69.07029	1.0
70.02919	1.0
71.04962	1.5
79.05458	3.4
81.07032	4.2
82.06531	1.3
83.04955	4.6
83.49623	0.6
84.04489	100.0
85.01125	0.7
85.02889	25.1
87.04436	5.8
91.05448	0.9
93.07004	2.8
97.06503	1.2
98.97579	1.0
100.07602	1.5
103.02043	0.6
107.04914	1.2
107.08604	0.7
109.06538	2.2
110.05989	1.2
111.04395	1.3
112.02123	1.0
118.06493	0.9
125.05956	1.5
126.05491	3.8
128.07042	4.4
140.01643	0.9
146.91771	1.4
153.05376	0.9
170.02625	7.3
171.06451	5.4
188.03725	37.2
188.09143	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	188.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.3
56.96549	3.8
57.03400	2.2
57.07055	1.6
57.11064	1.7
59.04976	3.6
67.05488	12.5
69.07053	17.9
71.04978	3.3
78.75194	1.8
79.05466	11.5
80.57000	2.0
81.07047	18.7
83.08601	3.1
91.05443	11.8
93.07023	58.0
95.08594	33.6
97.06512	24.5
105.07030	8.9
107.08578	92.4
109.10131	38.1
111.08082	2.2
112.99568	2.2
119.08539	4.6
120.64283	2.7
125.09556	2.8
126.18233	1.9
131.08580	2.4
132.08867	2.6
133.10141	4.4
135.11671	100.0
153.12715	45.0
175.71342	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.00312	0.5
55.05500	1.0
56.96551	2.0
57.07059	0.8
59.04960	0.4
60.32878	0.3
67.05495	10.6
69.07056	64.1
71.04977	10.5
76.33617	0.4
79.05473	1.9
81.07037	10.1
85.06532	0.6
88.02180	0.4
89.15758	0.4
91.05464	2.8
93.07027	2.5
95.04919	2.0
95.08595	3.2
97.81499	0.4
105.07023	3.7
107.08580	9.7
109.10144	100.0
113.05982	3.7
113.15783	0.4
117.07000	1.7
119.08530	0.8
123.08107	0.8
123.11692	11.6
127.11169	5.2
131.08527	6.2
133.10123	2.4
143.08617	1.0
145.10114	7.0
147.02788	0.4
151.11163	5.8
158.52446	0.4
159.11703	2.2
169.08589	0.5
169.12189	4.0
172.16541	0.5
187.13316	1.1
187.14822	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	187.1328
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01865	1.2
55.05503	6.1
55.54316	0.7
57.03426	3.0
57.07055	4.0
59.04977	3.0
61.02909	2.8
65.03925	1.3
67.05494	40.3
67.05847	1.5
69.03409	5.3
69.07053	6.8
70.07362	1.0
71.04963	3.0
79.05471	20.6
81.03394	1.6
81.07039	78.8
83.04963	10.5
83.08590	3.0
85.02870	0.8
85.06485	0.8
88.02185	1.4
91.04877	1.4
91.05463	42.4
92.05743	0.7
93.07022	25.1
95.04949	13.5
95.08588	14.4
97.02889	1.4
97.06490	1.3
98.97552	0.7
105.07011	33.4
107.08578	100.0
109.06506	17.1
109.10141	42.6
113.05996	3.1
121.10130	4.3
123.08083	7.3
123.11685	52.7
131.08525	3.5
133.10110	42.5
139.11151	3.5
151.11165	46.7
169.12206	19.6
187.01932	0.7
187.09656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03938	1.0
55.05509	2.1
56.96536	1.4
57.07064	2.0
61.27654	0.7
67.05480	4.7
69.07055	3.6
79.05470	5.1
81.07030	10.8
91.05472	11.9
93.07022	6.5
95.08588	7.9
101.49333	0.9
105.07018	22.0
107.08559	5.9
109.10140	1.1
115.05404	1.0
117.06998	14.8
119.08565	14.0
128.06152	1.2
129.06973	6.0
130.07791	10.5
131.08554	36.0
132.09309	1.6
133.10110	4.4
142.07762	1.0
143.08557	15.7
144.09320	4.1
145.10115	100.0
157.10106	14.7
158.10878	10.1
159.11674	24.6
172.12436	12.9
187.14793	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0964
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
53.03942	0.3
55.01863	1.3
55.05497	3.2
56.96555	0.2
57.03428	0.2
57.07056	0.2
58.70554	0.2
59.04983	0.4
63.76040	0.2
67.05492	14.6
69.03413	0.8
69.07054	1.0
71.04965	0.3
71.08636	0.2
79.05466	3.1
81.03387	0.3
81.07039	25.3
83.04974	1.2
83.08595	0.4
83.65572	0.2
85.02872	0.3
85.06522	1.4
87.58647	0.3
91.05457	1.9
92.09303	0.2
93.07030	4.6
95.04954	1.0
95.08585	100.0
97.06518	0.3
99.04400	0.5
99.08073	32.6
105.05466	0.3
105.07011	8.1
107.08582	1.5
109.05817	0.4
109.06506	8.2
109.10126	0.9
110.36993	0.2
111.08061	1.3
113.05952	0.3
117.07021	0.3
119.08538	0.3
123.08044	59.8
127.07528	0.5
131.08546	1.1
133.06502	1.1
133.10103	0.2
141.09084	44.1
145.10143	1.7
151.07541	8.2
151.11226	0.3
159.11681	0.5
160.32866	0.2
169.08548	4.3
170.06546	0.2
187.09700	0.3
187.14796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.05510	0.9
57.07057	0.6
59.04991	0.9
59.59098	0.4
65.63450	0.4
67.05491	13.4
67.15706	0.4
69.03413	0.6
69.07053	66.8
71.04978	12.0
79.05462	2.7
81.07037	14.1
83.04977	0.6
86.69286	0.5
91.05457	1.0
93.07012	0.9
95.04940	1.9
95.08579	2.4
105.07019	1.9
107.08580	9.2
109.06501	0.9
109.10140	100.0
113.05968	3.5
123.11684	15.2
127.07545	0.6
127.10289	0.7
127.11166	7.2
133.10083	2.8
141.09093	0.8
151.11134	6.8
169.12247	4.9
185.73145	0.5
187.13329	0.7
203.80753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.76374	0.2
53.00298	0.6
53.07051	0.2
55.05500	1.4
56.96558	2.6
57.07065	1.2
59.04984	1.0
67.05138	0.6
67.05492	12.5
69.03426	0.2
69.07054	62.2
71.04604	0.5
71.04974	10.0
73.34883	0.2
77.04552	0.3
79.00085	0.2
79.05466	2.2
81.07040	10.9
83.04964	0.6
85.06514	0.6
88.02198	0.5
89.36559	0.3
91.05457	3.0
92.64172	0.3
93.07024	2.4
95.04961	1.7
95.08585	2.9
97.06522	0.5
105.07004	3.9
107.08576	10.2
109.06538	0.9
109.10141	100.0
110.04310	0.2
110.10435	0.4
111.08031	0.3
113.05968	3.2
113.09638	0.3
117.06982	1.8
119.08556	1.3
123.08035	1.2
123.11681	10.9
127.11167	6.6
129.06990	0.4
130.07732	0.4
131.08528	5.4
133.10132	2.5
143.08553	0.6
144.05717	0.3
145.06480	0.3
145.10112	5.4
151.11160	5.6
157.10088	0.4
159.08112	0.3
159.11691	1.5
169.12181	4.1
187.07443	0.4
187.13220	1.2
187.14778	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	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
56.96555	1.3
57.07062	2.4
59.04992	7.6
61.02921	10.8
66.12796	0.5
67.05492	12.6
69.03414	0.9
69.07027	1.2
69.29345	0.5
70.06568	3.2
71.04964	1.3
79.05472	6.0
81.07043	40.5
82.07358	0.8
83.08590	1.2
85.06520	0.6
91.05462	8.9
93.07024	29.0
95.04976	4.1
95.08593	8.3
97.06506	0.5
105.07021	12.2
107.08583	100.0
107.72023	0.5
109.06494	11.0
109.09388	1.3
109.10145	38.8
110.09674	3.2
111.04430	0.7
111.08077	6.6
121.00761	4.8
121.01601	1.2
121.10134	2.3
123.08034	2.8
123.11687	50.7
131.05405	1.0
133.10121	16.3
139.01804	5.4
151.07494	2.4
151.11166	54.7
163.01805	6.8
169.12192	1.1
181.02866	11.4
186.14914	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	186.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
53.49244	0.7
55.01849	0.7
55.05510	7.1
56.96561	100.0
57.03229	0.7
57.03436	10.6
58.64648	0.7
59.68443	0.7
62.40327	0.8
67.05506	1.5
69.07019	0.9
71.04972	3.4
71.93976	0.8
71.95239	4.6
76.16677	0.9
79.05468	11.5
81.07018	4.4
84.01549	1.1
84.96017	9.8
85.02885	1.0
87.51694	0.8
91.02293	1.4
91.05467	10.2
92.03087	3.7
92.06251	1.8
93.02831	13.9
93.07021	9.9
95.04940	4.1
95.08593	5.3
97.02315	4.3
97.99212	1.1
98.03078	1.3
100.31604	0.7
101.02547	1.9
102.03338	8.9
102.97030	1.0
104.03111	0.9
105.07028	11.5
105.10361	0.9
106.02872	1.7
106.07330	1.1
107.08598	1.2
109.02283	1.2
109.06510	1.7
109.10161	1.1
110.03097	5.1
111.03899	1.1
113.04405	2.0
115.00681	6.1
116.41403	0.9
117.03877	2.0
120.09373	0.9
121.06473	1.7
122.04114	0.9
122.04906	16.3
124.04711	1.1
127.00685	1.7
129.02209	5.9
131.05426	14.0
131.08559	1.4
131.55600	1.8
133.01715	7.2
133.10077	2.0
136.04706	1.1
137.09531	1.2
139.00655	1.4
143.00146	1.5
145.01736	1.8
145.10020	1.6
147.03279	23.4
149.07253	1.2
150.10271	1.1
151.02794	1.2
151.11183	6.8
154.06599	0.9
157.01724	3.6
158.10536	1.2
161.01137	1.3
163.06967	4.7
165.04349	8.7
169.01691	1.2
171.03271	2.2
172.60002	0.9
175.02805	10.1
175.04198	1.4
183.03282	2.0
183.63510	1.0
186.18462	1.0
187.02751	1.3
189.04282	6.5
191.03775	1.1
193.03778	3.3
193.05374	9.9
197.04887	1.2
199.02869	1.4
201.04352	1.8
207.05293	1.1
207.06989	1.9
209.04927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.03466	12.5
54.21564	0.9
55.01635	0.8
55.01864	9.5
56.05027	5.9
57.03444	0.9
57.49461	0.9
67.05472	1.4
68.05016	100.0
72.04503	2.3
73.02898	6.5
81.03440	1.1
82.02922	27.4
83.01317	1.2
84.04489	62.7
85.02882	7.9
86.06047	6.4
87.92318	1.0
90.84387	0.8
92.09307	0.9
94.02908	5.4
96.04467	15.5
97.02917	1.4
98.02378	1.2
98.98470	4.2
100.03963	2.3
100.07606	1.7
101.02358	16.1
102.42447	0.9
110.02354	1.1
112.02213	2.1
112.03177	2.3
112.03950	59.0
114.05528	6.2
120.53226	1.1
125.94844	0.9
126.05435	1.0
128.03384	1.0
128.07056	3.8
129.01843	2.0
130.04988	8.2
135.71782	0.9
138.05525	1.0
140.03406	81.4
140.07007	1.6
140.99437	1.0
144.06540	1.1
158.04439	22.9
171.05095	1.2
186.03937	13.6
186.07614	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	185.1172
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.00304	0.2
53.03930	0.3
55.01861	0.3
55.05509	4.1
56.96550	0.4
57.07069	0.6
58.08059	0.2
59.04992	5.8
65.03938	1.9
67.05491	22.7
69.03404	1.5
69.07056	5.0
71.04977	3.6
79.05472	4.1
81.03399	0.5
81.07032	5.4
83.04966	2.5
85.06530	1.5
91.05462	3.0
93.07022	5.2
95.04946	100.0
95.08577	3.1
97.06503	4.8
102.96843	1.3
103.05431	0.3
105.06989	3.3
107.04983	0.3
107.08584	2.4
109.06510	2.5
109.10097	0.3
111.08038	0.3
111.11710	0.6
113.05978	0.6
116.06226	0.3
119.08554	0.5
120.97910	0.6
121.10122	5.9
123.08046	8.3
124.05192	3.2
125.05972	1.8
125.09586	0.5
131.08548	1.1
139.11143	1.9
143.08560	0.5
146.14883	0.3
167.10631	6.4
185.13293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03928	1.3
55.01859	3.6
55.05505	14.0
56.96548	3.6
57.03418	1.8
57.07048	1.8
59.04982	4.5
59.29454	0.8
60.95829	1.1
67.05486	5.1
69.03434	6.7
69.07053	14.2
71.04990	6.4
76.25656	0.7
79.05479	17.6
81.07038	20.4
83.04953	5.5
83.08588	4.7
85.06546	1.8
87.04446	10.2
87.08073	1.5
91.05449	14.3
91.56171	0.9
93.07026	40.7
95.04940	8.9
95.08594	17.0
95.72437	0.9
97.06510	12.6
97.10146	9.4
99.04425	8.7
99.08095	8.3
101.44732	0.9
102.31603	0.9
102.96852	4.6
105.07015	20.4
107.08582	100.0
109.06509	17.9
109.10162	1.6
111.04416	1.3
111.08042	1.6
119.08590	1.4
120.97887	5.5
121.10128	93.1
123.08078	7.3
123.11675	1.7
125.05970	1.5
125.09615	14.2
128.06203	1.3
129.06927	2.1
131.08522	8.9
138.98920	3.4
139.11165	47.1
142.07764	1.7
143.08549	4.2
143.10579	2.0
149.09587	15.9
157.10130	1.7
167.10635	20.2
170.10916	1.2
180.03693	0.9
185.13290	8.0
201.81467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
54.03466	12.9
55.01867	9.5
56.05031	8.1
57.03423	1.3
66.32508	1.0
67.05483	5.7
68.05016	100.0
69.03423	2.1
69.07053	1.5
70.06583	1.4
72.04488	5.0
73.02899	5.1
82.02921	24.5
82.59137	1.1
83.01294	3.8
84.04489	69.1
85.02896	12.3
86.06037	6.3
93.03401	1.2
94.02900	6.7
94.06542	1.4
94.81489	0.9
95.04934	1.6
96.04463	16.4
97.02861	2.2
98.98431	8.9
100.03949	4.9
100.07581	4.3
101.02366	16.6
103.87872	1.0
108.02389	1.1
112.03178	2.6
112.03949	62.3
112.07572	4.8
113.00011	9.2
114.04792	1.2
114.05473	9.9
121.01659	1.1
122.05945	1.6
126.05491	6.4
128.03400	1.9
128.07069	5.5
129.01779	2.2
130.04955	7.6
138.05455	1.5
140.03401	76.0
140.04498	2.5
140.07039	10.3
140.99420	4.4
144.06464	1.4
158.04448	23.1
181.02849	1.3
186.03946	11.7
186.07619	12.5
186.18454	1.9
197.02872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.117
Annotation	Elsholtzidiol
Peak:m/z	Relative Intensity
50.96058	0.2
53.20277	0.2
54.81716	0.2
55.05502	1.0
57.07053	0.8
59.04988	3.9
65.03931	0.5
66.03008	0.2
67.05499	3.7
69.03412	0.4
69.07045	1.0
71.04974	1.5
71.46594	0.2
78.31903	0.2
79.05472	2.4
81.07040	5.4
83.04945	1.1
83.31648	0.2
85.06515	0.3
85.98779	0.2
87.48473	0.2
91.05426	0.3
93.07015	1.6
95.04945	100.0
95.08572	0.9
97.06501	1.2
101.22731	0.2
105.07025	1.0
107.08576	1.1
109.06497	1.1
111.11681	0.2
113.05985	0.7
121.10122	2.0
123.08058	1.7
124.05177	1.3
125.05949	0.3
125.09605	0.2
139.11183	0.2
139.58890	0.2
142.40552	0.2
150.51425	0.2
154.45398	0.2
167.10634	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	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03957	0.6
55.05498	2.5
56.96553	0.5
57.03437	0.6
57.07069	0.6
59.04990	6.3
61.02948	0.7
67.05489	3.7
69.03413	2.8
69.07053	6.7
71.04983	3.3
75.04462	0.9
79.05042	1.1
79.05473	15.1
81.07037	22.3
83.04956	0.9
85.06522	1.0
87.04446	0.6
91.05466	7.4
93.07024	40.6
95.04937	8.8
95.08588	15.9
97.06514	8.8
97.10117	0.8
98.49459	0.6
99.04485	0.6
102.96844	2.5
105.07024	11.9
107.08580	70.3
109.05819	0.9
109.06509	17.2
109.10178	0.8
111.08055	2.3
114.42609	0.6
119.08545	2.5
120.97889	0.6
121.10122	100.0
121.45991	0.6
123.08031	3.7
123.11702	6.8
125.05982	3.3
125.09641	2.2
130.04628	0.6
130.40245	0.7
131.08548	5.6
139.11159	36.8
142.07759	0.7
143.08496	0.8
149.09596	8.4
150.75354	0.8
153.09123	0.9
167.10635	13.1
185.11707	2.4
185.13214	0.7
189.08612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Elsholtzidiol
Peak:m/z	Relative Intensity
50.72163	0.1
53.19355	0.1
55.01861	0.1
55.05499	0.6
56.96545	0.2
57.03414	0.2
57.07060	0.7
59.04990	4.5
59.09791	0.1
65.03925	0.5
67.05493	2.5
67.70168	0.1
69.03415	0.5
69.07050	0.5
71.04976	1.8
79.05481	2.7
81.07037	5.7
83.04975	0.8
85.06531	0.7
91.05489	0.9
93.07021	2.2
95.04948	100.0
95.08566	1.0
96.05262	0.2
97.06523	1.2
101.49850	0.1
102.96864	0.1
105.07002	1.4
107.04964	0.2
107.08569	1.6
109.06499	0.7
113.05988	1.1
119.08543	0.2
121.10124	4.0
123.08056	1.4
124.05180	1.5
125.05988	0.5
125.09595	0.4
129.07010	0.1
131.08591	0.4
139.11177	0.6
149.09566	0.3
167.10637	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	185.1172
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03922	0.6
53.95150	0.3
55.05505	5.0
55.82110	0.5
56.96552	1.7
57.07069	0.8
59.04996	7.0
60.86376	0.4
65.03928	1.6
67.05144	0.9
67.05496	23.4
68.69347	0.4
69.03410	1.8
69.07063	7.9
71.04979	4.6
71.18525	0.3
73.04784	0.4
77.38853	0.4
79.05475	6.2
81.03406	0.4
81.07047	6.4
83.04984	3.9
85.06537	2.4
91.05455	3.3
93.07014	7.1
95.04953	100.0
95.08598	4.1
97.06523	5.5
98.97584	3.8
102.96846	1.7
105.06999	4.5
107.04945	0.5
107.08591	3.7
108.74992	0.4
109.06514	3.1
109.10151	0.8
111.11703	1.7
113.05998	0.6
116.98596	1.0
119.08570	0.9
120.97884	0.8
121.06492	0.4
121.10125	7.8
123.08048	11.2
124.05227	4.0
125.05981	2.2
125.09628	1.0
131.08511	0.6
138.98965	0.5
139.11182	1.7
142.07799	0.4
143.08566	0.8
149.09615	0.7
157.10126	0.9
167.10677	8.6
170.79338	0.4
185.11757	0.5
185.13281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Elsholtzidiol
Peak:m/z	Relative Intensity
53.03951	0.2
54.81319	0.2
55.01867	0.2
55.05504	1.0
56.96553	0.4
57.07068	0.4
59.04718	0.2
59.04993	4.2
65.03919	0.5
67.05495	2.8
69.03415	0.5
69.07050	0.9
71.04974	1.6
79.05482	2.8
81.07037	6.2
83.04967	0.3
85.06519	0.4
86.14273	0.2
91.05438	1.2
93.07016	2.2
95.04947	100.0
95.08599	0.9
95.68452	0.2
96.05302	0.3
97.06512	1.1
102.96838	1.0
105.07017	1.6
107.08574	1.3
109.06509	1.4
109.10142	0.5
110.84645	0.2
112.05845	0.2
113.05991	1.0
114.44994	0.2
116.06215	0.2
120.97880	1.0
121.10124	2.7
123.08068	1.2
124.05206	1.8
125.05992	0.4
125.09500	0.2
131.08563	0.3
139.11171	1.1
143.08569	0.4
149.09607	0.4
167.10674	2.7
185.13216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Streptenol C
Peak:m/z	Relative Intensity
53.03941	0.2
55.05501	0.7
56.96555	1.2
57.03428	0.1
57.07063	0.3
57.21599	0.1
59.04718	0.2
59.04993	4.7
62.49411	0.1
65.03916	0.6
67.05498	2.5
69.03418	0.3
69.07059	0.7
71.04985	1.5
77.30864	0.1
79.05476	2.4
81.07040	5.8
83.04961	0.3
85.06526	0.6
91.05461	0.9
93.07032	1.9
95.04948	100.0
95.08588	0.8
96.05283	0.1
96.25951	0.1
97.06517	0.9
98.72024	0.1
98.97543	1.0
102.96886	0.1
105.07005	1.1
107.08579	1.6
109.06505	0.9
111.04420	0.2
113.05988	1.2
116.98598	0.3
119.08568	0.9
121.10127	3.4
123.08045	1.3
124.05178	1.7
125.05988	0.2
125.09635	0.3
134.10902	0.2
143.00156	0.2
149.09610	0.3
155.07236	0.2
157.06909	0.1
161.01222	0.2
164.57967	0.2
167.10643	3.0
190.01486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Streptenol C
Peak:m/z	Relative Intensity
53.03946	0.3
55.05495	1.7
55.29941	0.3
56.96531	0.3
57.03426	0.6
57.07056	0.5
59.04767	0.3
59.04993	4.8
67.05493	3.1
69.03397	1.2
69.07040	1.3
71.04975	2.5
75.04453	0.4
79.05484	2.3
81.07043	5.7
83.04967	1.8
85.06537	0.3
87.04440	0.3
87.53951	0.3
91.05457	2.6
93.07025	10.0
95.04947	100.0
95.08591	1.6
97.06496	1.5
97.10168	0.4
99.04431	0.4
99.08084	0.4
102.96830	1.3
105.07024	2.4
107.08566	4.2
109.06498	6.2
109.10131	0.5
110.96194	0.3
111.08070	0.4
113.05941	1.2
119.08526	0.5
120.97858	0.6
121.10127	5.9
123.08032	2.1
124.05193	1.5
125.09636	1.4
129.06999	0.4
131.08546	0.6
136.61235	0.3
138.98926	0.4
139.11168	0.5
142.07805	0.5
143.08549	1.2
149.09624	0.7
157.10130	0.7
167.10660	3.5
185.11696	1.1
185.13335	1.1
200.90178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
51.56433	0.4
52.50741	0.4
53.00298	0.7
53.03939	1.0
54.82441	0.5
55.05507	7.5
56.40920	0.5
56.96546	0.8
57.03417	0.6
57.07066	2.5
59.04994	8.0
60.21647	0.4
65.03913	3.0
67.05493	30.9
69.03394	2.0
69.07053	7.7
71.04971	5.1
73.18304	0.6
79.05478	8.9
81.03415	0.6
81.07044	9.8
82.11554	0.5
83.04980	4.2
83.08622	0.7
84.05334	0.5
85.06519	3.2
87.04475	0.6
91.05472	5.5
93.07024	14.2
95.04948	100.0
95.08582	6.8
97.06512	7.8
97.43532	0.5
102.96848	3.1
102.97465	0.5
105.04521	0.5
105.06984	5.0
107.04935	1.0
107.08581	6.1
109.06530	5.5
109.10138	0.7
119.08539	1.0
120.97876	2.4
121.06480	0.8
121.10120	10.5
123.08055	12.0
124.05190	4.2
125.05984	2.2
125.09614	0.9
128.06184	0.8
129.06975	1.2
131.08533	2.2
138.98923	2.0
139.11159	2.6
141.06976	0.7
142.07704	0.5
143.08543	1.2
149.09512	0.8
157.10097	1.1
167.10648	8.6
170.10794	0.6
185.13290	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	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
50.12337	0.9
53.03937	9.6
55.01858	6.5
55.05497	9.4
56.96547	2.6
57.03416	4.5
57.64098	0.9
59.04985	4.5
65.03930	1.0
67.05490	7.9
69.03428	7.8
69.07048	7.3
71.04610	1.3
71.04977	22.7
75.04449	1.9
79.05473	44.3
81.03370	1.9
81.07034	28.9
83.04967	6.1
83.08627	1.9
85.02891	2.4
91.05464	48.6
93.07026	80.9
95.04943	17.0
95.08570	12.3
97.02892	1.2
97.06516	10.0
98.97569	2.0
99.19350	1.0
102.96869	8.6
103.05460	2.8
105.04498	1.8
105.07012	26.1
106.07800	1.4
107.04948	9.9
107.07867	2.4
107.08580	63.8
109.06501	11.7
111.04433	2.3
111.08051	2.6
116.06218	1.4
116.98580	1.8
119.08533	5.1
120.97878	7.1
121.00736	1.4
121.06489	23.2
121.10122	62.6
123.08039	7.5
123.11679	4.9
125.05956	14.6
125.09601	4.8
129.06984	2.4
131.08548	17.3
138.98920	5.5
139.01785	5.0
139.07526	7.8
139.11169	13.2
140.94887	1.1
142.07768	1.2
143.08589	2.4
149.09598	100.0
152.77943	1.1
157.10124	1.3
167.10638	15.5
181.02824	5.1
185.11630	2.6
185.13173	1.2
194.43715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63683	0.4
51.57644	0.4
55.01870	3.6
58.40567	0.4
65.33931	0.4
67.05488	3.4
67.18766	0.4
69.07053	0.9
69.72121	0.4
70.34022	0.4
78.36390	0.5
79.05457	0.5
87.43053	0.5
91.05470	0.8
93.07030	5.6
94.06535	0.5
95.04955	0.6
95.07315	3.7
95.08585	17.7
96.04481	0.7
101.00865	1.6
108.08122	0.7
109.19527	0.3
110.06023	6.5
110.09661	13.7
119.01883	7.0
120.08089	5.7
120.08864	0.7
121.06467	2.7
124.07590	4.2
124.08886	0.5
137.02971	3.3
138.09120	100.0
140.71275	0.4
142.03500	1.0
148.07582	1.0
149.05980	1.0
166.08606	86.6
167.67570	0.5
184.09695	4.6
189.05528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	Nordephrine
Peak:m/z	Relative Intensity
50.63683	0.4
51.57644	0.4
55.01870	3.6
58.40567	0.4
65.33931	0.4
67.05488	3.4
67.18766	0.4
69.07053	0.9
69.72121	0.4
70.34022	0.4
78.36390	0.5
79.05457	0.5
87.43053	0.5
91.05470	0.8
93.07030	5.6
94.06535	0.5
95.04955	0.6
95.07315	3.7
95.08585	17.7
96.04481	0.7
101.00865	1.6
108.08122	0.7
109.19527	0.3
110.06023	6.5
110.09661	13.7
119.01883	7.0
120.08089	5.7
120.08864	0.7
121.06467	2.7
124.07590	4.2
124.08886	0.5
137.02971	3.3
138.09120	100.0
140.71275	0.4
142.03500	1.0
148.07582	1.0
149.05980	1.0
166.08606	86.6
167.67570	0.5
184.09695	4.6
189.05528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
52.79473	0.6
53.03931	5.0
55.01862	4.3
55.05505	20.0
56.96554	1.7
57.03410	0.9
57.07076	1.0
59.04992	16.1
65.03923	2.0
66.40207	0.7
67.05499	7.9
68.55452	0.8
69.03401	6.7
69.07063	1.3
71.04987	7.2
73.01276	0.8
74.89754	0.7
79.05476	46.9
81.03396	1.2
81.07042	24.0
81.50927	0.7
83.04955	1.8
85.02924	1.1
85.06527	3.4
91.05464	42.2
92.08771	1.1
93.07026	99.9
95.04947	19.5
95.08588	7.9
97.06501	4.8
97.10100	1.0
100.20687	0.7
102.96865	6.2
103.05454	1.9
105.04428	0.9
105.07019	30.4
106.07815	1.6
107.04940	17.6
107.08583	66.7
108.33149	0.8
109.06509	15.5
109.10081	1.0
111.04436	1.3
113.05997	22.6
116.06239	1.6
116.98515	1.1
118.80180	0.9
118.91656	0.8
119.01927	0.8
119.06107	1.0
119.08559	3.9
120.01997	4.7
120.97901	4.0
121.00773	1.7
121.01591	1.0
121.06487	25.5
121.10126	62.4
123.08065	8.5
124.03402	0.8
125.05956	7.2
125.09601	22.3
129.07007	1.9
131.08551	19.9
133.06473	0.9
134.07233	1.0
137.09486	0.9
138.03098	1.4
138.98915	1.8
139.01808	4.4
139.07552	4.4
139.11125	8.7
142.21065	0.8
149.09601	100.0
163.01791	2.1
167.07001	1.2
167.10660	17.7
181.02855	8.4
185.11752	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	184.0604
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
54.81968	0.4
57.79445	0.3
58.70461	0.3
63.52046	0.3
65.03929	1.9
67.05479	0.4
67.87698	0.4
68.02710	0.3
69.03413	0.6
73.02911	0.4
76.29968	0.3
80.02374	0.4
80.38200	0.4
82.06550	0.4
83.04946	0.3
83.24830	0.3
85.02900	0.6
92.04977	2.5
96.04462	0.3
101.00866	3.7
110.06023	2.3
119.01897	25.5
120.04458	2.8
122.02385	0.4
137.02921	9.8
138.05492	7.0
142.03459	3.1
148.03911	100.0
160.04543	0.7
161.02902	0.6
166.04964	87.8
170.52005	0.4
179.03937	2.3
184.06009	12.5
203.50804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.5
53.03932	0.9
53.21119	0.3
55.01862	1.7
55.05505	8.8
56.96557	1.0
57.03431	2.9
57.07055	2.7
59.04989	28.1
61.02928	0.7
65.03925	0.7
65.89536	0.4
66.79164	0.4
67.05490	28.3
69.03069	0.6
69.03414	10.0
69.06711	0.6
69.07053	7.8
71.04974	5.4
73.06519	0.8
76.32729	0.4
79.05476	12.4
81.03406	0.9
81.07038	27.3
83.04959	4.5
83.08602	3.3
85.02403	0.4
85.02885	2.4
85.06568	0.4
87.04449	6.0
89.06010	2.3
91.05466	5.7
92.63629	0.5
93.07024	7.9
95.04957	5.5
95.08585	38.1
97.06501	2.5
97.10164	0.6
99.04453	1.8
99.08053	0.5
103.80950	0.4
105.07018	10.2
107.08580	23.4
109.06499	4.2
109.10139	78.7
110.10445	0.4
111.04434	1.6
111.08078	1.5
117.06983	0.6
119.01930	0.8
119.06048	0.5
119.08564	10.2
121.10126	4.9
123.04424	2.7
123.08054	6.8
123.11683	2.9
124.05167	4.7
125.05972	1.6
125.09577	1.9
129.05431	0.5
135.11664	1.7
137.02928	0.5
137.09595	100.0
137.13188	6.3
139.11189	0.5
141.88988	0.4
142.03448	0.5
147.08049	0.8
147.11678	4.4
153.12823	0.6
165.09077	48.5
165.12703	6.9
183.10175	3.2
183.13753	2.1
189.72630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
54.81678	1.8
55.05498	17.7
57.03416	9.6
57.07053	9.6
59.04984	4.1
67.05498	28.6
68.06152	2.2
69.03416	17.3
69.07062	16.6
69.07359	1.8
71.04960	10.1
74.75887	1.9
79.05479	19.9
81.07044	88.4
83.04968	4.5
85.02903	3.3
87.05253	2.0
91.05456	12.8
93.07029	23.6
95.04955	42.4
95.08013	4.4
95.08587	100.0
97.06509	2.5
105.07001	27.4
107.08587	25.4
109.06518	17.8
109.10152	4.2
118.98277	3.3
119.01899	3.2
119.08556	24.2
121.10136	19.4
122.07256	2.1
123.08025	17.4
123.11683	13.8
137.09656	4.0
137.13242	35.0
142.03558	2.0
147.11682	22.1
160.04518	2.9
165.12744	11.3
180.30299	2.2
183.13783	76.8
183.15311	3.9
186.61919	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Santolinic acid methyl ester
Peak:m/z	Relative Intensity
53.03933	3.5
55.01867	17.9
55.05259	1.8
55.05503	27.1
56.07812	1.2
56.84592	1.2
56.87241	1.2
56.96539	1.8
57.03427	11.4
57.07058	2.0
61.02903	6.2
62.49330	1.3
65.03918	2.6
67.05490	38.9
69.03417	28.5
69.07055	30.0
71.04990	12.2
73.02900	2.3
79.05473	53.9
81.03409	3.3
81.07038	100.0
83.04970	14.5
85.02882	7.7
85.06534	11.6
89.00585	1.6
91.05460	42.6
93.07024	70.5
95.04944	19.6
95.08591	34.9
97.06511	18.1
99.04433	7.3
103.05437	6.5
105.07014	77.7
107.08583	21.9
109.06505	22.7
109.10142	29.0
111.04424	7.3
111.08044	2.3
117.06984	10.5
119.01893	5.4
119.08564	71.1
121.09288	2.1
121.10126	49.0
123.04335	2.3
123.08032	20.4
123.11681	7.4
125.05993	6.2
128.71217	1.5
129.05438	3.0
137.05988	2.5
137.09581	17.3
137.13174	1.5
145.10101	2.0
147.06430	1.5
147.11646	11.0
160.04477	1.9
165.09032	12.2
165.12721	38.8
183.10098	3.0
183.13776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	0.8
53.03932	1.5
55.01863	12.8
55.05503	19.7
57.03421	4.2
57.07056	5.0
59.04986	19.2
65.03926	1.4
67.05489	57.8
67.05853	1.9
69.03414	7.5
69.07062	9.9
70.97670	0.9
71.04965	8.2
79.05479	9.0
81.07038	27.4
83.04953	3.7
83.08584	1.4
85.02870	1.2
85.06525	17.2
87.04437	4.5
91.05453	7.0
93.07020	18.6
95.04956	14.7
95.08584	100.0
97.06538	6.0
97.10120	1.8
98.05515	0.9
102.92945	0.7
105.07010	17.7
107.04909	1.8
107.08582	21.3
109.06504	4.3
109.10136	24.1
111.08065	1.4
113.06007	1.7
117.19114	0.7
119.08554	6.9
121.10112	3.6
123.08043	23.9
123.11685	0.9
125.09597	13.8
134.88748	0.7
137.09581	1.7
137.13217	5.0
147.11664	7.9
165.12740	9.5
167.79504	1.1
183.13806	1.4
194.45309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Santolinic acid methyl ester
Peak:m/z	Relative Intensity
53.03942	1.4
55.01867	14.8
55.05509	17.4
56.32032	0.5
57.03430	4.2
57.07061	6.1
59.04710	1.0
59.04990	17.1
62.46931	0.5
65.03937	1.4
67.05494	59.3
69.03413	8.9
69.07054	12.3
71.04978	10.8
72.53137	0.5
79.05476	11.8
81.07039	34.6
83.04984	4.8
83.08604	2.8
85.02888	2.6
85.06061	1.1
85.06535	18.8
87.04451	5.3
90.78481	0.6
91.05478	8.2
93.07026	17.0
95.04953	12.1
95.08588	100.0
97.06514	4.8
97.10157	1.4
99.04394	0.9
105.07021	15.6
107.04951	2.6
107.08577	24.3
109.06486	4.8
109.10143	30.7
111.04427	0.7
111.08118	1.4
113.06004	4.1
119.08542	9.1
121.10146	3.3
123.08047	18.0
123.11661	4.7
125.09607	23.5
127.07593	0.8
137.09592	4.0
137.13237	6.9
139.07532	1.2
147.11679	9.1
153.12773	0.8
165.09137	2.9
165.12729	8.6
183.10164	0.7
183.13765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
53.03929	2.4
55.01876	1.5
55.05491	9.6
57.03410	3.2
57.07060	9.2
59.04975	2.6
65.50959	1.5
67.05487	12.2
69.03412	16.7
71.04989	7.5
71.75546	1.6
79.05478	42.8
81.03420	2.8
81.07030	10.0
83.04963	12.1
85.02907	3.0
85.06528	8.0
91.05465	51.7
93.07027	62.9
94.77180	2.0
95.04965	12.8
95.08593	11.3
97.02843	4.3
98.61066	1.6
99.04434	2.6
100.97164	3.7
103.05457	3.0
103.21058	1.9
105.03423	2.4
105.07004	21.7
107.08526	2.3
109.10144	9.3
111.04475	2.3
117.07021	15.1
118.98240	3.1
119.01879	7.8
119.08561	100.0
121.10125	17.7
123.04412	21.6
123.08046	9.2
137.09630	7.4
142.03499	3.4
147.08034	38.3
160.04532	3.2
165.09087	28.6
183.10127	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.00284	0.5
53.03932	0.9
53.21119	0.3
55.01862	1.7
55.05505	8.8
56.96557	1.0
57.03431	2.9
57.07055	2.7
59.04989	28.1
61.02928	0.7
65.03925	0.7
65.89536	0.4
66.79164	0.4
67.05490	28.3
69.03069	0.6
69.03414	10.0
69.06711	0.6
69.07053	7.8
71.04974	5.4
73.06519	0.8
76.32729	0.4
79.05476	12.4
81.03406	0.9
81.07038	27.3
83.04959	4.5
83.08602	3.3
85.02403	0.4
85.02885	2.4
85.06568	0.4
87.04449	6.0
89.06010	2.3
91.05466	5.7
92.63629	0.5
93.07024	7.9
95.04957	5.5
95.08585	38.1
97.06501	2.5
97.10164	0.6
99.04453	1.8
99.08053	0.5
103.80950	0.4
105.07018	10.2
107.08580	23.4
109.06499	4.2
109.10139	78.7
110.10445	0.4
111.04434	1.6
111.08078	1.5
117.06983	0.6
119.01930	0.8
119.06048	0.5
119.08564	10.2
121.10126	4.9
123.04424	2.7
123.08054	6.8
123.11683	2.9
124.05167	4.7
125.05972	1.6
125.09577	1.9
129.05431	0.5
135.11664	1.7
137.02928	0.5
137.09595	100.0
137.13188	6.3
139.11189	0.5
141.88988	0.4
142.03448	0.5
147.08049	0.8
147.11678	4.4
153.12823	0.6
165.09077	48.5
165.12703	6.9
183.10175	3.2
183.13753	2.1
189.72630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	GSIR-1
Peak:m/z	Relative Intensity
52.27214	0.6
53.00296	0.6
53.03932	3.9
55.01860	2.7
55.05505	15.2
56.96548	3.6
57.03419	1.7
57.07077	1.2
59.04988	17.5
61.02917	0.7
61.19538	0.6
65.03922	1.1
67.05492	40.9
69.03416	8.9
69.07048	5.5
71.04968	4.1
74.88231	0.6
79.05476	11.1
81.03419	1.1
81.07036	16.0
83.04955	3.2
83.08627	1.1
85.02884	3.8
87.04444	4.4
91.05463	7.1
92.08665	1.4
93.07024	16.6
95.04940	8.5
95.08585	100.0
97.06516	4.1
99.04456	1.1
100.97167	0.8
105.07018	12.1
107.04961	0.9
107.08570	11.7
109.06506	2.7
109.10141	6.5
113.09638	0.8
117.06957	0.8
119.08559	10.7
121.10111	2.9
123.04436	0.9
123.08044	26.2
123.11641	1.3
124.98342	0.7
135.11688	0.7
137.09605	5.1
137.13219	4.1
140.04796	0.7
141.09103	2.7
142.03456	0.7
147.11653	1.6
165.09081	1.3
165.12723	3.7
183.10126	2.5
190.32707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27214	0.6
53.00296	0.6
53.03932	3.9
55.01860	2.7
55.05505	15.2
56.96548	3.6
57.03419	1.7
57.07077	1.2
59.04988	17.5
61.02917	0.7
61.19538	0.6
65.03922	1.1
67.05492	40.9
69.03416	8.9
69.07048	5.5
71.04968	4.1
74.88231	0.6
79.05476	11.1
81.03419	1.1
81.07036	16.0
83.04955	3.2
83.08627	1.1
85.02884	3.8
87.04444	4.4
91.05463	7.1
92.08665	1.4
93.07024	16.6
95.04940	8.5
95.08585	100.0
97.06516	4.1
99.04456	1.1
100.97167	0.8
105.07018	12.1
107.04961	0.9
107.08570	11.7
109.06506	2.7
109.10141	6.5
113.09638	0.8
117.06957	0.8
119.08559	10.7
121.10111	2.9
123.04436	0.9
123.08044	26.2
123.11641	1.3
124.98342	0.7
135.11688	0.7
137.09605	5.1
137.13219	4.1
140.04796	0.7
141.09103	2.7
142.03456	0.7
147.11653	1.6
165.09081	1.3
165.12723	3.7
183.10126	2.5
190.32707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03935	0.5
55.01863	1.2
55.05500	6.7
56.96549	0.7
57.03421	1.3
57.07061	0.8
57.52496	0.4
58.82059	0.5
59.04997	6.3
61.02924	0.9
67.05140	1.1
67.05492	24.0
67.05849	0.9
69.03419	7.5
69.07062	3.6
71.04976	3.4
73.06534	0.6
77.47859	0.6
79.05475	5.2
81.03386	1.2
81.07043	16.4
83.04960	3.4
85.02887	2.9
85.06543	0.6
87.04453	2.2
91.05465	3.0
93.07018	5.2
95.04948	3.6
95.08583	16.3
97.06531	0.8
99.04419	1.1
105.07005	5.4
106.99780	0.5
107.08582	7.6
109.06497	3.0
109.10143	80.8
111.04445	1.2
119.01949	0.8
119.08557	6.1
121.10159	0.6
123.04420	1.0
123.08044	5.8
123.11710	2.0
124.05226	2.0
133.81526	0.5
134.38689	0.5
135.11658	0.6
137.09599	100.0
137.13235	2.7
147.08041	2.2
147.11673	0.8
165.09076	53.6
165.12762	2.7
183.10167	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
50.99683	0.2
53.03933	0.9
55.01869	2.5
55.05509	2.2
56.96541	1.2
57.03426	1.6
57.07062	0.3
61.02901	1.0
63.15197	0.2
64.65213	0.2
65.03928	3.7
67.05493	6.7
68.99799	0.2
69.03415	8.2
69.07049	1.1
70.58687	0.2
71.01323	0.3
71.04971	1.0
73.02896	0.4
73.06539	0.4
76.61019	0.3
79.05473	1.7
81.03388	0.9
81.07037	2.6
83.04963	3.0
85.02901	2.4
85.06555	0.3
87.04469	1.1
91.05447	1.5
93.07031	2.1
95.04943	6.2
95.08577	2.9
97.06509	0.5
99.04435	1.4
100.97227	0.4
100.98047	0.2
103.03854	0.3
105.07005	1.5
107.08594	1.1
108.02084	7.2
109.06496	1.2
109.10159	2.0
111.04429	6.5
118.98167	0.3
119.01891	2.1
119.08544	2.3
121.03970	5.1
121.10183	0.3
123.04376	1.2
123.08051	1.7
128.26411	0.2
129.05423	1.5
136.01593	0.3
137.00121	0.3
137.02971	0.5
137.05963	0.3
137.09576	1.5
142.03476	1.4
147.08040	0.3
151.03885	100.0
154.02588	5.5
160.04498	1.0
165.05455	0.3
165.09082	1.4
183.08556	0.4
183.10182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03941	2.6
55.01865	2.3
55.05509	10.2
56.96556	16.3
65.03947	1.2
67.05492	10.6
69.03412	10.2
69.07048	2.9
71.01340	2.8
71.04972	6.3
79.05469	40.4
81.03413	2.2
81.06590	1.8
81.07035	18.2
83.04966	2.7
83.08616	2.7
85.16776	1.3
91.05455	30.5
92.09282	2.4
93.07018	59.2
95.04940	24.6
95.08589	8.6
97.06538	2.9
98.97560	100.0
99.04411	2.3
103.05453	2.8
105.07018	22.9
107.04942	8.1
107.08574	87.3
109.06497	10.6
109.10166	2.9
111.08030	2.0
116.98602	64.1
117.07001	11.3
119.08547	23.9
121.06502	6.5
121.10116	29.0
123.08051	2.2
125.05947	1.3
129.06950	1.6
130.07761	7.3
130.08716	1.3
134.99635	28.2
135.08070	6.8
135.11644	17.6
137.09618	5.9
143.08408	1.4
145.10092	15.4
153.00732	5.2
158.01199	1.4
163.11118	22.9
181.12206	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03937	6.5
53.04185	0.8
54.34969	0.9
54.59082	1.0
54.81899	1.0
55.01865	4.7
55.05505	15.1
56.96555	12.0
57.03424	2.2
57.07056	1.2
65.03938	1.9
67.05498	12.3
69.03416	12.0
69.07059	11.2
71.01340	5.4
71.04972	8.0
77.03897	1.5
79.05475	51.9
81.03412	14.2
81.07035	33.2
81.07477	1.8
83.04960	8.6
83.08586	1.1
84.29716	0.9
85.57556	1.0
88.45683	1.1
91.05459	65.8
93.07021	99.7
95.04942	63.1
95.08583	7.6
97.06510	3.9
98.94312	1.0
98.97560	100.0
100.08118	1.0
103.05466	11.1
105.07010	45.5
107.04934	15.6
107.08575	57.8
109.06503	27.3
109.10136	6.7
111.04457	1.3
115.05453	8.0
116.06160	1.6
116.98595	70.7
117.06996	31.8
119.08558	71.6
121.06490	14.8
121.10126	35.7
121.67851	1.0
123.07972	1.3
125.05965	5.6
128.06224	1.1
129.07005	2.5
130.07750	16.8
133.10124	1.4
134.99641	33.9
135.00624	1.8
135.08006	13.2
135.11674	18.4
137.09578	8.6
139.07487	1.3
140.51135	1.2
143.08562	2.0
145.10106	33.0
145.11224	1.6
153.00725	4.5
158.01219	2.1
163.11159	26.2
181.08592	1.5
181.12215	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	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
54.81807	0.4
64.31585	0.3
64.53543	0.4
85.02876	0.5
91.05461	40.4
93.70579	0.4
95.04948	18.0
98.97562	0.6
103.05452	1.6
107.04951	0.9
108.08109	0.9
109.06472	0.5
118.06515	2.0
119.04921	45.4
120.08111	0.5
121.06471	1.1
123.04404	49.2
136.07558	100.0
147.04391	12.1
147.05484	0.8
163.22592	0.5
164.05647	1.8
164.06950	0.8
165.05438	20.4
174.04005	0.5
182.06664	1.2
182.08061	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	3.5
55.01857	2.7
55.05508	16.3
56.96553	2.4
57.03415	1.7
57.07049	2.0
63.71740	1.3
64.01075	1.5
65.03931	2.6
67.05493	18.1
69.03418	13.2
69.07058	12.5
71.01321	6.6
71.04998	11.1
71.45955	1.3
79.05470	48.1
81.03422	11.0
81.07045	34.6
83.04965	16.3
91.05463	75.2
93.07029	100.0
95.04951	79.2
95.08591	9.2
97.06490	6.5
98.97557	50.7
99.04442	2.7
103.05447	11.5
105.06428	1.6
105.07012	54.5
107.04939	17.0
107.08582	65.1
109.06515	21.1
109.10126	9.2
111.08085	2.6
113.05933	2.0
115.05441	9.1
116.98592	41.1
117.07000	36.6
119.08557	83.0
121.06507	17.2
121.10128	28.1
123.08030	1.8
125.05971	9.2
129.06992	2.8
130.07777	21.1
134.99640	16.2
135.08057	8.3
135.11671	18.3
137.09589	13.8
143.08560	2.0
145.10107	41.1
163.11162	27.5
181.12216	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.77036	0.4
53.03930	0.7
55.01855	2.0
55.05502	4.2
56.96556	13.1
57.03419	1.1
59.04969	0.4
62.79521	0.4
65.03928	1.1
67.05491	6.4
69.03405	2.9
69.07068	3.9
71.01337	2.3
71.04965	2.4
71.95235	1.1
79.05475	12.0
81.03388	3.2
81.06593	0.7
81.07034	9.0
83.04961	2.0
84.91526	0.6
85.02886	0.9
91.05456	10.7
93.07021	25.3
95.04944	10.4
95.08587	3.1
97.06504	1.9
98.97562	100.0
103.05427	1.0
105.07013	7.5
107.04928	3.3
107.08575	12.7
109.06496	8.4
109.10126	2.5
111.08099	0.5
115.05445	1.0
116.98598	74.2
117.07005	5.1
119.08556	11.6
121.06480	4.7
121.10113	10.3
123.08056	1.0
123.83060	0.5
125.05950	1.0
130.07761	2.8
134.99631	38.5
135.04378	0.8
135.08011	2.7
135.11687	5.4
136.98120	0.5
137.09605	3.7
139.11131	0.6
140.00175	2.0
145.10110	8.8
149.05977	0.8
153.00708	6.4
158.01207	3.5
163.03923	0.7
163.11156	8.9
181.04919	0.7
181.08553	0.9
181.12221	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.08413	1.2
53.03940	5.3
55.01855	2.9
55.05508	13.4
56.96546	8.8
57.03425	3.0
57.07055	1.1
58.10778	1.1
65.03918	1.5
67.05505	15.6
69.03409	8.9
69.07047	10.6
71.01334	2.7
71.04978	13.1
71.95240	1.2
79.05476	50.0
81.03407	7.3
81.07038	29.0
83.04959	3.2
91.04878	2.1
91.05462	54.5
92.08728	1.5
93.07027	100.0
95.04951	55.8
95.08598	13.2
97.06525	1.8
98.97568	92.1
99.04447	14.5
103.05445	14.0
105.04472	2.3
105.07014	37.1
107.04958	11.4
107.08580	68.6
109.06487	17.3
109.10132	7.3
111.08047	1.7
115.05402	6.1
115.40285	1.5
116.59650	1.4
116.98599	60.8
117.07001	27.1
118.36805	1.3
119.08560	60.8
121.06467	16.5
121.10129	26.1
123.08025	1.3
123.32407	1.5
125.02325	3.1
125.05986	3.0
129.06973	2.4
130.07770	13.6
133.10097	1.8
134.99641	27.1
135.08018	5.8
135.11678	50.8
137.09578	8.2
140.04651	13.4
143.08551	2.1
145.10092	22.5
153.00592	2.1
153.05446	2.0
153.12709	3.0
158.01288	1.5
163.11159	20.8
181.08542	1.7
181.10628	2.2
181.12149	13.8
182.35437	1.3
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
51.51211	0.5
53.03913	0.7
55.05487	3.1
56.96550	12.1
67.05485	4.1
69.03410	3.4
69.07043	2.2
71.04958	3.3
71.95258	0.7
72.44647	0.5
79.05475	8.6
81.03409	1.1
81.07034	7.5
83.04968	2.3
91.05458	8.1
93.07023	18.1
95.04938	6.9
95.08570	3.2
97.06490	1.3
98.97560	100.0
99.04414	0.9
103.05439	0.8
105.07004	9.1
107.04930	3.1
107.08569	13.5
109.06490	2.7
109.10146	2.8
116.98594	68.6
117.06967	4.0
119.08566	8.6
119.43615	0.5
121.06490	3.3
121.10120	9.2
123.08040	1.0
125.05992	0.9
129.06914	0.8
130.07753	1.4
130.84299	0.5
134.99634	36.5
135.08070	1.2
135.11639	5.1
137.09584	3.0
140.00121	1.1
145.10091	7.2
149.05936	6.5
153.00664	5.5
158.01230	1.1
163.11157	8.4
181.12207	3.3
194.28752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.54392	0.4
54.82115	0.5
56.96561	5.3
63.02348	0.6
63.62642	0.6
65.03907	0.5
79.05485	5.1
89.03902	25.9
91.05451	2.3
93.03437	0.5
95.04949	0.8
98.97566	43.7
107.04937	8.1
107.55607	0.5
111.04429	1.2
116.97741	0.6
116.98602	27.8
117.03362	30.3
134.96805	0.5
134.99646	13.5
135.04396	58.0
137.05981	0.9
145.02829	28.8
146.43465	0.5
153.00636	0.9
163.03877	100.0
183.18172	0.4
189.60522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
53.04185	0.8
54.34969	0.9
54.59082	1.0
54.81899	1.0
55.01865	4.7
55.05505	15.1
56.96555	12.0
57.03424	2.2
57.07056	1.2
65.03938	1.9
67.05498	12.3
69.03416	12.0
69.07059	11.2
71.01340	5.4
71.04972	8.0
77.03897	1.5
79.05475	51.9
81.03412	14.2
81.07035	33.2
81.07477	1.8
83.04960	8.6
83.08586	1.1
84.29716	0.9
85.57556	1.0
88.45683	1.1
91.05459	65.8
93.07021	99.7
95.04942	63.1
95.08583	7.6
97.06510	3.9
98.94312	1.0
98.97560	100.0
100.08118	1.0
103.05466	11.1
105.07010	45.5
107.04934	15.6
107.08575	57.8
109.06503	27.3
109.10136	6.7
111.04457	1.3
115.05453	8.0
116.06160	1.6
116.98595	70.7
117.06996	31.8
119.08558	71.6
121.06490	14.8
121.10126	35.7
121.67851	1.0
123.07972	1.3
125.05965	5.6
128.06224	1.1
129.07005	2.5
130.07750	16.8
133.10124	1.4
134.99641	33.9
135.00624	1.8
135.08006	13.2
135.11674	18.4
137.09578	8.6
139.07487	1.3
140.51135	1.2
143.08562	2.0
145.10106	33.0
145.11224	1.6
153.00725	4.5
158.01219	2.1
163.11159	26.2
181.08592	1.5
181.12215	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	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89611	0.5
53.03946	0.9
54.32755	0.5
55.01626	0.9
55.01869	18.1
57.03432	18.1
60.04498	0.5
61.02916	7.6
67.14007	0.6
69.03420	55.5
71.01311	0.6
71.04977	2.8
72.04507	0.9
73.02902	11.2
78.12958	0.6
81.03393	3.4
83.01331	0.8
84.38261	0.6
85.02895	100.0
87.04445	1.0
97.02872	23.7
99.04436	12.7
101.02364	14.6
103.03883	0.8
109.02856	4.0
115.03951	5.2
127.03899	67.7
127.88774	0.6
145.04942	28.8
154.06580	0.7
163.06017	4.9
166.81499	0.6
180.08673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
56.96559	100.0
57.07058	6.0
58.29618	1.2
65.47453	1.4
69.03400	2.2
71.95240	1.7
76.25069	1.2
76.56647	1.3
78.23203	1.4
79.05482	3.0
81.07029	18.0
82.36240	1.3
85.02899	2.8
88.94119	1.2
91.05422	2.0
92.05762	1.5
93.07037	3.2
97.99187	2.7
98.97565	45.8
100.03580	1.3
100.99097	2.2
105.06995	2.6
106.07348	2.7
111.03892	1.5
115.00703	2.1
115.05917	2.9
116.98604	42.1
117.03792	1.6
119.01623	2.0
119.08528	2.1
120.05135	17.6
121.10094	1.7
127.05907	12.3
129.05685	9.3
130.07034	1.3
131.55852	1.6
134.99657	23.5
136.06401	6.6
136.56606	1.5
137.02730	11.2
139.07736	2.3
141.02217	6.6
148.08253	39.4
148.58388	6.8
153.00671	2.4
155.03781	9.1
157.01662	1.4
157.08800	37.1
157.58948	6.1
158.01201	1.8
159.03250	8.3
159.59036	2.0
163.08624	1.4
167.03806	2.6
173.05006	1.6
173.06419	1.8
177.04315	1.7
179.03748	3.2
183.03291	2.0
185.04903	2.1
191.05849	1.4
191.07361	9.6
197.04878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.91033	0.3
53.03944	0.5
56.96556	10.0
57.02804	0.3
57.03446	0.4
65.03932	0.4
69.05782	0.4
71.95242	0.8
75.95303	0.3
76.44067	0.3
79.05473	3.9
81.03407	0.5
87.69200	0.4
89.03899	22.1
89.04453	0.9
91.05466	2.3
95.04954	0.9
98.18753	0.4
98.97564	82.2
103.05434	0.6
105.07049	0.4
107.04936	10.5
107.08596	0.5
109.75249	0.4
110.34368	0.3
111.04486	0.8
112.13802	0.5
116.98602	60.0
117.03361	27.5
118.04585	0.7
120.10918	0.4
120.43647	0.4
121.06522	0.6
121.10113	0.5
131.04947	0.4
134.99638	30.7
135.04399	55.7
140.00169	1.9
145.01678	0.9
145.02834	26.4
153.00682	5.7
158.01228	2.7
163.03876	100.0
181.04843	0.5
181.08548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	1.3
55.01863	1.5
55.05502	7.8
55.74109	0.6
56.24248	0.5
56.96558	20.7
57.03432	4.7
61.34531	0.5
61.64919	0.5
63.86065	0.7
65.03918	1.0
67.05495	10.2
67.05856	0.8
67.87586	0.6
69.03413	6.0
69.07056	6.2
71.04971	3.8
71.15913	0.6
79.05480	16.5
81.03389	2.3
81.07041	37.5
83.04946	2.4
83.08604	0.6
85.06530	19.6
91.05462	20.0
93.07025	20.2
94.07339	0.7
95.04951	6.9
95.08585	20.5
97.02868	2.8
97.06530	0.9
97.10133	0.8
97.99168	1.2
98.03998	0.5
99.04422	0.8
100.81426	0.7
103.05470	1.3
105.07014	100.0
106.28713	0.7
107.04924	0.8
107.08577	10.5
109.06485	2.5
109.10146	4.0
111.08095	0.7
117.06968	4.4
119.08566	39.8
121.06505	1.0
121.10139	8.3
123.08047	3.2
124.05172	1.0
127.05934	0.8
128.06190	1.2
131.08482	2.3
133.10115	18.2
135.08008	3.8
135.11612	5.0
136.06462	0.7
137.09598	0.9
143.08554	0.9
145.10052	0.7
146.10962	0.8
151.11111	0.8
156.07997	0.9
160.37274	0.6
161.09584	2.9
161.13232	31.5
179.10637	1.0
179.14284	17.3
188.83267	0.6
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
55.01861	0.9
55.05501	8.3
57.03405	1.3
66.59660	1.1
67.05498	9.1
69.03400	2.3
69.07051	7.3
71.04973	5.1
77.24350	1.0
79.05471	19.5
81.07035	32.8
83.04946	1.3
83.08640	1.4
85.06554	2.1
91.05455	15.2
93.07031	26.2
95.04941	6.1
95.08579	23.1
97.06505	18.2
98.70361	1.0
105.07012	100.0
107.08589	13.5
109.06505	4.7
109.10146	5.6
111.04343	1.4
111.08069	1.5
115.05413	1.7
117.06972	2.3
119.08549	41.6
121.06450	2.1
121.10143	10.7
123.08035	15.9
123.59734	1.0
131.08618	1.4
133.10109	26.6
135.08005	4.6
135.11655	18.0
146.07274	1.4
161.09592	5.5
161.13225	70.7
179.06264	1.2
179.10675	1.3
179.14270	43.7
179.15738	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.67690	1.1
53.00287	1.2
53.03930	3.2
55.01860	1.8
55.05510	15.8
56.96325	1.3
56.96561	12.6
63.76431	1.2
67.05482	10.6
69.03410	1.7
69.07049	18.5
71.04964	6.7
75.23605	1.2
77.64008	1.2
79.05474	28.8
81.03397	1.6
81.07040	100.0
83.00751	1.3
83.08592	6.2
85.06557	2.4
91.05463	26.3
93.06486	2.4
93.07028	46.2
95.04948	6.5
95.08588	27.4
97.06493	10.0
97.56937	1.2
100.73405	1.6
105.07012	65.8
107.08588	19.4
108.80026	1.2
109.06492	9.8
109.10145	9.1
111.02381	1.3
111.04368	1.3
111.08072	36.8
115.05455	1.5
117.06991	3.0
119.08565	60.8
121.06461	1.8
121.10126	39.2
123.08086	9.3
131.08504	3.0
133.10107	48.4
135.08072	2.1
135.11664	14.0
143.08551	2.0
151.11107	1.4
161.09618	5.4
161.13234	53.2
179.10614	6.5
179.14258	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.00612	1.6
53.03937	4.3
55.05496	8.8
56.73662	1.4
56.96558	20.8
57.07047	2.3
67.05489	17.3
69.03407	8.8
69.07049	7.6
71.04952	11.8
75.98135	1.5
79.05477	29.8
80.83253	1.6
81.06595	3.0
81.07037	57.1
83.04948	1.8
83.08583	1.9
85.06546	2.4
86.79633	1.6
90.66656	1.9
91.05463	26.9
93.07029	46.2
95.04933	9.2
95.08580	32.3
97.06502	17.9
105.07015	100.0
107.08593	27.6
109.06454	6.6
109.10135	10.2
117.06985	3.0
119.08564	54.9
121.06499	2.4
121.10111	32.4
121.54306	2.1
123.08054	7.0
123.44270	1.9
128.06149	3.1
131.08537	2.1
133.10097	33.8
135.08073	3.3
135.11678	41.3
143.08565	2.2
148.46170	1.8
156.07938	1.9
159.11766	3.1
161.09599	7.9
161.13237	69.5
165.08467	2.0
179.10759	2.3
179.14294	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.3
55.01864	4.8
55.05510	34.0
56.96554	2.6
57.03423	6.1
57.07065	4.4
67.05495	43.9
69.03415	11.4
69.07060	35.4
71.04970	5.1
71.08612	4.6
75.27022	2.6
76.34309	2.2
79.05466	19.3
81.03389	2.8
81.07045	39.4
83.04523	3.3
83.04974	54.2
83.08598	12.4
85.06540	3.9
85.24265	2.6
91.05463	30.6
93.07027	42.6
95.04968	17.9
95.08010	4.1
95.08593	100.0
105.07026	47.6
107.08594	46.3
109.06510	32.2
109.10132	58.0
117.06992	5.7
119.04974	2.9
119.08565	43.1
121.06504	11.8
121.09314	3.9
121.10120	30.2
123.08063	44.5
123.11681	5.2
126.60490	2.5
128.06174	3.3
131.08430	2.7
133.06577	3.5
133.10127	30.0
135.08043	5.9
135.11699	26.7
137.06039	2.6
137.09615	20.3
137.13254	5.7
143.08566	3.8
146.07292	3.0
147.04332	4.6
151.11209	3.0
151.14786	43.0
153.47668	2.7
161.09615	18.4
161.13239	25.1
162.09137	31.9
179.06451	2.4
179.10681	4.6
179.14282	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.29674	1.2
50.30585	1.2
50.31194	1.3
53.03933	9.7
55.01857	3.0
55.05503	23.9
56.96563	16.7
57.03374	1.4
57.07061	2.7
61.37955	1.4
67.05499	26.6
69.03416	7.1
69.07059	19.3
71.04975	2.7
77.03939	1.8
79.05473	44.8
81.03396	7.3
81.07040	100.0
83.04977	7.0
83.08609	6.8
85.06523	3.1
91.05461	50.6
93.07026	49.5
95.04945	18.7
95.08595	29.5
97.02850	3.3
97.06509	7.3
105.04514	2.8
105.07013	90.1
105.28632	1.5
107.08575	22.7
109.06508	11.8
109.10136	15.8
111.04369	1.9
111.08076	31.5
117.07003	10.4
118.07729	1.9
119.08567	94.6
121.06483	2.0
121.10117	28.2
123.08037	3.5
123.11677	2.4
131.08531	3.1
133.10110	71.3
135.08026	3.8
135.11674	7.7
137.09566	3.1
140.92336	1.8
143.08617	2.5
151.11166	3.3
161.09599	12.3
161.13223	42.4
176.59991	1.5
179.10677	19.4
179.14301	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	179.1066
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
53.03938	17.9
55.01860	6.5
55.05508	12.2
56.96563	11.5
57.03434	2.4
65.03911	2.7
67.05492	21.6
69.03418	13.8
69.07051	1.9
71.04976	10.3
75.35588	1.3
75.41418	1.1
75.76035	1.4
77.03914	2.9
79.05474	27.7
81.03400	8.6
81.07036	46.0
83.04948	5.0
83.48309	1.3
91.05460	100.0
93.07018	47.4
93.07572	2.4
95.04945	50.4
95.08601	7.8
97.02874	7.6
97.06489	5.4
98.97906	1.4
99.04453	6.5
103.05447	2.5
105.04492	8.5
105.07013	72.3
106.04167	1.7
107.04932	5.4
107.08580	21.7
109.06522	12.1
109.10149	6.9
111.04458	10.9
114.07076	1.4
115.05424	5.1
117.06992	15.9
118.07760	2.0
119.08553	36.8
121.06525	11.9
121.10149	2.9
123.04424	3.0
123.08073	5.7
123.11673	2.4
124.05214	1.5
128.06195	8.4
131.08537	5.3
133.06499	3.0
133.10112	40.6
135.08020	19.1
137.09579	7.0
143.08534	10.3
146.07263	5.6
151.11166	6.3
161.09578	24.2
161.13187	1.6
161.78426	1.6
179.10638	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	179.1066
Annotation	2-Phenylpropyl acetate
Peak:m/z	Relative Intensity
51.13728	0.9
53.03936	1.1
55.05508	4.3
57.03433	1.0
65.45139	0.9
67.05494	2.4
69.03419	10.0
71.04986	1.6
77.53036	0.9
79.05467	13.8
81.07051	10.8
83.04938	1.0
84.62917	1.0
90.20899	1.0
91.05464	44.2
93.07028	18.4
95.04955	6.1
95.08588	2.4
103.05456	1.9
104.06243	1.2
105.07014	44.2
107.08570	5.2
109.06495	1.9
109.10133	1.6
111.04448	1.2
117.07006	10.8
119.04867	1.3
119.08562	100.0
121.06489	4.8
121.61681	1.0
131.08542	1.5
133.06537	1.2
133.10103	38.2
135.08047	2.6
137.09612	6.5
143.08501	1.8
146.07278	2.2
151.11203	1.9
161.09572	10.7
179.10667	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	179.1066
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
53.03931	1.5
55.01864	1.6
55.05491	2.7
57.12110	1.1
57.69168	1.0
64.32753	1.1
67.05502	4.8
69.03425	12.8
69.07041	4.7
72.91719	1.2
77.64957	1.0
79.05489	15.0
81.07040	27.9
83.02778	1.1
83.04969	17.5
91.05467	23.5
92.09281	2.3
93.03403	4.0
93.07039	15.0
95.04938	5.5
97.02878	17.9
97.06522	1.8
105.07021	70.9
107.04919	1.1
107.08575	7.2
109.06534	1.6
111.04432	100.0
115.05449	2.1
117.07002	5.3
119.08580	2.8
121.06472	10.3
123.04395	1.2
127.13409	1.1
128.06206	8.4
131.04947	2.2
131.08533	5.9
133.10109	40.0
137.05887	1.3
137.43391	1.1
143.08531	8.4
145.06442	2.4
146.07249	16.1
161.09596	19.9
179.10641	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	179.1065
Annotation	2-Phenylpropyl acetate
Peak:m/z	Relative Intensity
53.03933	1.1
55.01863	2.2
55.05508	4.1
57.03423	1.1
59.04982	0.5
60.13514	0.4
65.03921	0.6
67.05498	6.8
69.03402	2.2
69.07047	3.0
71.04989	1.1
78.09653	0.4
78.55489	0.4
79.05474	10.2
81.03400	1.9
81.04021	0.4
81.06602	0.6
81.07045	13.4
83.04961	0.9
87.04447	0.5
90.38723	0.6
91.05461	46.4
92.08703	0.9
93.07021	20.2
95.04946	7.4
95.08594	4.4
97.02831	0.6
103.05459	1.8
104.06168	0.5
105.07015	59.1
107.08582	11.6
109.06514	5.0
109.10155	5.2
115.05441	2.2
117.06995	8.4
118.07750	1.0
119.04924	1.0
119.08561	100.0
121.06502	3.7
121.10147	0.7
123.04432	1.1
123.08085	1.9
123.11678	2.4
128.06207	2.2
131.08553	3.9
133.06488	13.8
133.10109	53.0
135.08041	1.9
135.11685	0.7
137.05966	0.7
137.09608	7.6
143.08546	1.1
146.07204	0.8
151.07538	2.0
151.11194	4.1
161.05960	13.7
161.09584	13.7
165.11517	0.5
165.91173	0.5
179.07098	4.1
179.10637	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	179.1066
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
51.02368	0.9
52.88457	0.9
53.00287	1.6
53.03924	6.8
55.01851	7.0
55.05504	24.0
56.96550	5.7
57.03421	1.7
65.03930	2.2
67.05486	21.7
69.03416	33.5
69.07020	2.2
71.01327	4.4
71.04977	16.3
79.05473	33.6
81.03407	13.1
81.07039	30.8
83.04957	6.2
91.05460	71.0
93.07023	25.2
95.04949	27.2
95.08565	9.2
97.02868	25.4
97.06474	1.5
99.04424	8.3
103.05444	4.5
105.07012	100.0
106.04161	5.7
107.04927	6.9
107.08572	23.8
108.12633	1.0
109.06502	15.7
109.09435	1.0
109.10134	8.2
111.04420	5.9
115.05428	8.4
117.06994	16.1
118.07747	1.6
119.04913	1.8
119.08566	25.7
121.06463	2.5
121.10191	1.0
122.94276	1.2
123.04408	1.7
123.08029	1.6
123.11670	2.1
124.05193	8.4
128.06212	14.0
131.04869	1.6
131.08531	9.6
133.06467	8.5
133.10104	42.0
135.08032	29.6
137.09619	2.2
143.08524	6.7
145.06410	1.2
146.07246	5.7
151.11166	4.6
161.09581	13.9
161.13185	2.1
179.10635	9.6
179.14278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
51.33563	1.1
53.03924	6.4
54.29087	0.9
55.01851	6.6
55.05502	20.7
55.25859	1.1
56.56795	1.2
56.65828	1.1
56.96550	2.3
57.03434	2.2
63.88833	1.2
64.27499	1.3
65.03913	1.8
67.05486	19.8
69.03415	29.8
69.07056	2.1
69.17841	1.3
71.01324	2.3
71.04977	16.3
73.02896	1.8
79.05475	35.2
81.03410	9.7
81.07035	42.7
83.04967	2.5
91.05461	57.8
93.07024	25.5
95.04951	25.0
95.08586	10.1
97.02874	20.0
97.06498	2.1
99.04423	6.4
103.05428	5.2
105.07014	100.0
106.04113	5.2
107.04945	6.5
107.08562	20.6
109.06502	15.1
109.10110	7.7
111.04428	3.0
115.05428	5.8
117.06988	18.5
119.04926	5.6
119.08570	26.1
121.06487	6.1
123.04427	5.2
123.11684	1.6
124.05199	8.0
125.05817	1.2
128.06215	14.1
131.04889	1.6
131.08562	9.2
133.06493	6.4
133.10101	41.7
135.08028	29.1
135.08974	2.3
137.09624	1.7
143.08517	8.3
144.73181	1.4
146.07211	3.0
151.11186	2.5
161.09572	16.7
161.13158	1.6
179.10619	7.9
179.14207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
53.00282	1.5
53.03931	6.3
55.01855	5.7
55.05499	14.8
56.92565	0.8
56.96541	4.6
57.03416	1.5
62.55494	0.9
65.03938	1.1
67.05492	14.2
69.03416	22.4
69.07041	5.0
71.01330	1.2
71.04974	11.8
75.99947	1.1
78.04707	1.4
79.05048	1.6
79.05473	27.0
80.77994	1.1
81.03401	8.2
81.07038	32.7
83.04958	2.4
85.06532	7.9
91.04898	1.9
91.05460	50.0
93.07018	18.9
95.04941	21.1
95.08566	7.7
97.02885	14.5
98.53735	1.0
99.04417	5.8
103.05441	1.6
105.07012	100.0
106.04145	4.7
107.04919	4.9
107.08572	19.9
109.06505	12.7
109.10136	6.2
111.04397	2.1
115.05416	5.9
117.07001	10.6
119.04913	1.2
119.08553	23.7
121.06496	5.1
121.10070	1.7
123.04362	2.1
123.08037	4.0
123.11684	1.6
124.05170	6.9
128.06218	8.9
131.08528	6.7
133.06468	4.8
133.10097	29.8
135.08025	17.9
135.11671	1.6
139.64233	1.0
143.08549	5.2
145.06477	1.0
146.07242	4.5
151.11163	4.4
161.09599	10.7
161.13208	9.1
169.99847	1.1
179.10612	4.5
179.14258	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	179.1066
Annotation	2-(1-Phenylethyl)-1,3-dioxolane
Peak:m/z	Relative Intensity
53.03948	3.7
55.01862	3.9
55.05494	19.8
56.48882	2.1
56.96546	3.9
64.33388	1.9
67.05492	36.1
69.03410	9.9
69.07050	24.8
71.01333	2.9
71.04989	3.7
79.05468	31.4
81.03381	3.9
81.07040	86.0
83.04956	5.1
83.08602	3.2
91.05458	71.5
93.07023	51.7
95.04944	18.7
95.08578	21.4
97.02858	9.8
97.06522	2.2
99.04401	2.3
101.74436	2.0
105.07014	100.0
107.04924	2.8
107.08590	44.0
109.06512	15.4
109.10123	20.8
111.04430	10.4
115.05432	3.6
117.07001	12.4
119.04937	3.6
119.08559	76.8
121.06477	10.3
121.10121	9.1
123.04412	7.8
123.08052	8.9
123.11678	12.1
131.08543	8.7
133.06468	3.9
133.10107	77.0
135.08011	8.2
137.05927	2.4
137.09586	9.0
143.08549	4.8
146.07220	3.6
151.11176	26.1
161.09579	34.3
161.13229	4.6
179.10634	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	alpha-Dolabrinol
Peak:m/z	Relative Intensity
53.03929	1.5
54.70135	1.6
55.01865	3.2
55.05503	1.5
63.13015	1.4
65.03918	9.1
67.05494	12.8
68.99762	3.3
79.05463	10.0
81.03397	2.3
81.07030	3.4
85.24249	1.5
90.04665	2.0
91.05463	100.0
92.08710	3.6
93.03401	3.5
93.07008	8.5
95.04932	17.4
95.08598	3.4
103.05446	10.8
105.07023	11.6
107.08591	1.7
108.05701	7.8
109.06499	3.2
110.03709	2.1
118.04157	3.5
119.04920	97.7
119.08546	3.9
121.02804	2.9
121.06474	3.4
123.04404	18.6
123.08038	9.0
133.06499	10.3
133.10074	2.5
135.08066	1.7
136.05165	15.9
147.04385	41.6
148.05215	3.9
151.07513	32.8
165.25417	1.5
179.07002	25.1
179.10658	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
50.37130	0.6
51.93061	0.7
53.03944	2.1
54.78402	0.7
55.01870	3.9
55.05510	14.0
56.96565	12.6
57.03436	5.8
62.80521	0.9
65.03944	1.5
67.05495	14.3
67.96274	0.8
69.03425	16.7
69.07072	4.9
71.01352	1.3
71.04980	10.1
77.84782	0.7
78.04700	0.8
79.05481	25.5
81.03400	6.0
81.07047	30.3
83.04975	2.0
85.06544	8.9
91.05470	39.9
92.64017	0.9
93.07038	23.2
95.04961	16.1
95.08602	14.5
97.02876	12.6
97.06506	1.2
99.04431	6.2
103.05460	1.9
104.55786	0.8
105.07025	100.0
106.04166	3.6
107.04947	5.0
107.08595	15.9
109.06517	9.2
109.10149	6.9
111.43565	0.8
115.05442	4.3
117.07008	11.2
119.08569	32.8
121.06503	2.0
121.10138	5.5
123.04399	1.2
123.08065	0.9
123.11700	1.7
124.05195	5.7
124.05984	0.9
128.06221	7.8
131.07735	0.8
131.08525	6.2
133.06499	2.0
133.10118	25.5
135.08040	13.4
135.11655	1.4
137.05948	0.9
143.08586	4.6
145.06461	1.3
146.07265	3.4
151.11209	1.7
161.09612	7.3
161.13239	15.8
179.10696	5.4
179.14299	8.3
198.73950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85759	0.3
54.82108	0.4
69.78693	0.4
92.08692	0.4
98.97540	0.9
101.00207	0.7
101.00861	14.4
109.23416	0.4
116.98551	0.7
119.01898	100.0
133.03423	3.6
137.02931	39.0
142.01373	0.5
142.03484	0.8
143.35146	0.4
151.04515	1.8
156.05042	0.8
161.02928	10.3
174.06049	0.6
177.25792	0.4
179.03973	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.00320	1.3
53.03942	1.7
55.05508	18.0
56.96555	1.1
57.03411	0.8
57.07060	4.1
65.03946	1.3
67.05498	23.4
69.03400	0.9
69.06718	1.4
69.07059	30.6
71.04979	1.1
73.71081	0.8
79.05477	45.1
81.07043	43.8
83.04961	2.1
83.08616	9.5
83.26038	0.9
85.06548	4.4
88.02206	1.4
91.05466	28.0
93.07027	100.0
94.90158	0.9
95.04955	8.6
95.08591	70.1
97.06512	1.9
97.10146	4.5
98.97568	0.9
103.66422	0.8
105.07024	24.4
107.04942	1.5
107.08586	54.1
108.98254	1.0
109.06511	5.9
109.10160	12.3
115.05419	1.7
117.07003	9.7
119.08571	14.3
121.06512	6.9
121.10126	75.9
123.08024	1.3
129.06976	5.9
130.07767	1.0
131.08554	17.9
133.10124	12.8
134.07248	1.0
135.08022	5.0
135.11649	15.2
144.09334	5.6
149.09598	5.1
149.13222	9.3
157.10127	1.5
159.08092	1.3
159.11681	20.3
162.10226	1.0
177.09135	3.7
177.12740	32.4
177.16351	31.5
178.63971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.3
53.03942	1.7
55.05508	18.0
56.96555	1.1
57.03411	0.8
57.07060	4.1
65.03946	1.3
67.05498	23.4
69.03400	0.9
69.06718	1.4
69.07059	30.6
71.04979	1.1
73.71081	0.8
79.05477	45.1
81.07043	43.8
83.04961	2.1
83.08616	9.5
83.26038	0.9
85.06548	4.4
88.02206	1.4
91.05466	28.0
93.07027	100.0
94.90158	0.9
95.04955	8.6
95.08591	70.1
97.06512	1.9
97.10146	4.5
98.97568	0.9
103.66422	0.8
105.07024	24.4
107.04942	1.5
107.08586	54.1
108.98254	1.0
109.06511	5.9
109.10160	12.3
115.05419	1.7
117.07003	9.7
119.08571	14.3
121.06512	6.9
121.10126	75.9
123.08024	1.3
129.06976	5.9
130.07767	1.0
131.08554	17.9
133.10124	12.8
134.07248	1.0
135.08022	5.0
135.11649	15.2
144.09334	5.6
149.09598	5.1
149.13222	9.3
157.10127	1.5
159.08092	1.3
159.11681	20.3
162.10226	1.0
177.09135	3.7
177.12740	32.4
177.16351	31.5
178.63971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
55.05503	13.5
66.74268	1.5
67.05479	10.8
69.03406	9.6
69.07063	15.5
71.07996	1.8
79.05466	25.2
81.07041	45.4
83.75591	1.6
91.05473	21.0
93.07027	76.5
95.08607	18.3
105.07020	33.1
106.07406	2.3
107.07887	2.3
107.08586	57.8
109.06484	11.3
117.06991	10.2
119.08569	12.1
121.06493	73.4
121.10120	39.3
129.07005	3.4
131.08546	16.9
133.10081	11.5
134.10440	3.1
135.08037	3.9
135.11708	15.0
144.09329	8.3
149.13255	24.2
159.11653	45.1
177.12721	100.0
177.16370	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	177.1273
Annotation	Montiporyne G
Peak:m/z	Relative Intensity
55.01852	1.0
55.05497	3.8
59.05000	0.8
64.20248	1.0
64.53086	0.9
65.85277	0.8
67.05481	13.6
68.75301	0.9
69.07047	0.8
71.04973	4.4
79.05470	6.5
81.07021	8.8
83.04939	1.2
85.06498	0.9
86.80010	0.9
91.05458	10.7
92.09341	1.0
92.63560	0.9
93.07024	14.5
95.04946	6.9
95.08578	83.0
98.96550	1.0
105.07000	21.4
107.08575	6.6
109.06502	3.7
112.65044	1.0
117.06986	12.7
119.08554	14.5
121.06434	3.9
121.10114	2.2
129.06964	6.3
130.07756	3.9
131.08527	23.5
133.10068	7.4
135.08026	2.4
135.11691	1.5
144.09325	12.8
149.09532	1.7
149.13200	1.3
157.10065	2.0
159.11656	100.0
159.98308	1.0
177.12709	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03930	2.4
55.05497	18.6
57.07058	2.1
67.05488	18.9
68.18930	1.4
69.03406	6.8
69.07049	23.4
70.95905	1.8
75.66998	1.7
79.05473	42.5
81.07035	54.9
83.08587	6.8
88.80027	2.0
91.05464	29.0
93.07021	100.0
95.04933	10.9
95.08015	2.2
95.08584	47.1
105.07005	37.6
107.08577	61.4
109.06499	14.2
109.10130	11.0
112.97482	2.0
117.06989	7.7
119.08569	17.3
120.64736	1.6
121.06478	58.6
121.10117	74.9
129.06937	3.7
131.08525	15.0
133.10072	11.7
135.08014	4.0
135.11682	18.7
144.09326	7.5
149.13231	19.3
159.11652	31.9
177.09227	2.0
177.12720	76.8
177.16328	29.6
178.37801	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03926	2.5
54.91168	1.8
55.05510	15.1
56.66267	1.7
62.16521	1.8
62.17690	1.9
67.05477	8.2
69.03409	8.6
69.07043	12.6
70.70618	2.2
73.07508	1.9
79.05482	21.1
81.07043	43.0
91.05477	25.4
91.05972	3.0
93.07030	72.2
95.04919	2.6
95.08571	12.3
97.06526	2.6
105.07027	30.9
107.08594	43.3
109.06515	13.6
117.06972	9.8
119.08562	12.1
121.06490	72.3
121.10121	25.9
129.07025	2.8
131.08525	16.6
133.10091	11.2
135.08070	5.1
135.11702	15.5
144.09332	12.1
149.13220	17.7
154.05334	2.0
159.11674	32.8
177.12730	100.0
177.16336	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	2.0
54.42574	0.6
55.01858	3.4
55.05491	5.1
56.96556	9.4
56.97989	0.7
57.07072	1.2
61.41894	0.9
64.78197	0.7
67.05492	8.9
69.03418	3.6
69.07049	8.9
71.04981	0.9
79.05476	19.8
81.07042	19.3
83.04951	1.8
83.08575	2.1
91.05463	24.7
92.08667	1.2
93.07026	34.8
95.04939	5.2
95.08576	10.2
97.06510	5.8
98.97554	0.9
103.05424	1.5
105.07016	100.0
107.04961	1.9
107.08584	34.3
109.06504	4.0
112.71294	0.8
114.37184	0.7
115.05438	2.1
117.07001	17.2
119.08555	15.2
121.06490	10.9
121.10130	15.4
123.29150	0.8
129.06987	5.9
130.07741	1.7
131.08553	27.1
133.10114	17.4
135.08035	6.7
135.11693	8.2
142.07753	1.1
144.09276	6.8
149.09566	1.8
149.13240	9.5
159.11656	35.7
162.10017	1.3
177.09225	1.6
177.12717	49.3
177.16360	5.6
194.70531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	3.8
55.01859	4.6
55.05502	14.2
57.03427	2.0
64.04897	1.7
65.03911	2.6
67.05499	35.4
68.83636	1.8
69.03415	3.3
69.07047	10.0
71.04977	4.7
74.70202	1.8
79.05473	38.3
81.07039	51.2
83.04971	19.3
83.08575	2.0
91.05464	75.8
93.07023	75.3
95.04952	45.7
95.08568	14.4
97.06498	11.2
97.25573	2.0
105.07018	100.0
107.04943	7.9
107.08580	34.6
109.06484	9.1
115.05460	4.3
117.07002	36.9
119.08559	36.0
121.06487	26.4
121.10123	12.4
122.07255	15.2
123.08046	3.1
129.06950	14.9
130.07750	3.8
131.08545	53.5
133.10107	66.8
135.08026	11.7
135.11665	12.6
144.09340	13.8
147.11620	2.3
149.09592	24.7
149.13242	15.3
157.10124	2.4
159.11664	57.5
161.64207	1.8
177.12723	85.5
189.37013	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22744	0.6
53.03930	1.3
55.01862	2.0
55.05503	9.9
56.96555	12.5
57.03400	0.9
57.07058	1.0
64.33836	0.8
67.05491	11.2
69.03410	1.1
69.07052	10.6
69.62342	0.7
71.04969	1.5
74.32603	0.7
77.78224	0.8
79.05475	26.3
81.03381	1.5
81.07036	27.8
83.04970	4.2
83.08602	4.0
85.01231	0.8
90.06921	0.9
91.05459	30.6
92.05753	0.9
93.07025	46.3
93.36243	0.8
95.04943	8.3
95.08583	15.1
97.06519	5.5
98.97567	1.9
100.01732	0.8
103.02332	0.9
103.05453	1.3
105.04534	1.1
105.07013	100.0
106.19628	0.8
107.04925	3.8
107.08576	37.5
109.06513	5.8
109.10130	3.6
110.03107	1.0
115.05427	1.5
116.03063	1.5
117.06986	18.8
119.08562	17.9
121.06483	8.5
121.10121	29.3
123.08072	1.2
127.07514	0.9
129.06967	6.5
130.07761	1.2
131.08542	28.9
133.10101	20.5
134.99609	0.8
135.08051	6.7
135.11676	13.0
142.07782	1.5
143.03578	1.0
144.09315	7.9
145.05829	1.1
147.11632	0.9
149.09598	4.0
149.13261	10.2
154.06429	4.9
154.56535	0.9
157.10010	1.4
159.08058	1.9
159.11667	32.5
162.10294	0.9
177.09087	1.7
177.12715	44.1
177.16354	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	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01861	9.5
55.05513	19.4
57.07061	2.2
59.02977	1.6
65.03935	3.2
67.05493	39.4
69.03396	2.1
69.07051	13.2
70.31458	1.7
71.04974	3.4
77.03870	1.8
79.05471	42.0
81.07039	64.6
83.04953	18.4
91.05466	72.8
92.09260	2.3
93.07025	82.1
95.04947	38.9
95.08582	21.3
97.06511	9.7
102.92609	1.9
103.05423	1.8
105.07015	100.0
107.04930	7.4
107.08574	48.7
109.06503	9.2
109.10187	2.5
112.66093	1.9
115.05453	2.2
117.06976	33.4
119.08592	29.7
121.06485	26.6
121.10124	26.4
122.07258	18.6
123.08070	2.9
129.06969	7.3
130.07745	2.3
131.08543	54.2
133.10110	62.8
135.08029	14.7
135.11681	15.0
144.09337	13.4
149.09612	27.3
149.13222	12.4
159.11671	56.0
167.29590	2.0
177.12714	92.3
177.16193	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	177.0909
Annotation	Cinnamyl acetate
Peak:m/z	Relative Intensity
51.04799	0.3
55.05492	0.5
56.54779	0.3
57.90939	0.4
60.07008	0.3
67.05497	0.5
69.07050	0.7
71.22814	0.4
73.08623	0.4
74.15457	0.5
79.05464	1.9
81.07040	1.8
90.87043	0.4
91.05458	6.1
93.07021	3.5
95.04973	0.4
95.08611	0.6
97.06535	0.4
103.05465	0.6
105.06996	3.0
107.08572	2.0
107.53232	0.4
109.88114	0.4
115.05421	5.2
116.06207	3.6
117.07003	15.2
119.04935	1.9
119.08528	0.9
120.96337	0.4
121.06458	2.4
121.10130	0.8
131.08554	2.1
133.06474	4.5
134.07248	6.0
135.08009	1.9
144.05684	3.1
145.06494	2.3
147.04408	0.8
149.09587	2.0
159.11705	0.8
161.05923	1.0
162.06732	17.3
177.09077	100.0
177.12570	2.3
177.16356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03925	3.6
55.01870	3.1
55.05495	12.8
55.05722	1.9
56.96563	20.5
60.38138	2.1
67.05501	15.7
69.03414	18.0
69.07048	13.5
69.07404	1.9
69.60540	1.9
75.20579	1.9
75.46156	1.9
76.56485	2.2
79.05476	36.1
81.07036	26.2
83.08613	1.9
91.05463	83.3
92.08677	2.7
93.07029	49.9
93.07578	3.9
94.99832	1.7
95.04953	14.4
95.08604	15.8
97.02866	17.1
97.06541	2.5
98.97558	3.1
103.05471	5.2
105.07016	100.0
107.04953	4.6
107.08572	39.0
109.02258	2.3
109.06516	10.9
109.10156	3.4
114.37392	2.6
115.05431	4.3
116.06184	20.2
117.07005	12.1
119.08529	16.8
121.06493	19.0
121.10123	49.0
123.08089	3.4
127.11938	2.1
129.07037	9.5
131.07701	2.9
131.08546	81.8
133.10115	17.8
135.08020	9.0
135.11691	12.2
144.09332	2.2
149.09613	34.2
149.13229	4.4
159.08011	23.3
159.11682	15.0
177.09125	28.3
177.12701	29.0
177.16383	9.5
179.62660	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05505	4.9
56.96559	7.8
57.07062	1.3
60.27857	1.0
63.97910	0.9
66.62376	1.0
67.05497	5.6
69.07054	10.3
74.08826	1.1
78.64410	1.0
79.05482	8.6
81.07034	23.2
83.08612	1.1
85.39346	1.1
91.05464	32.1
93.07033	9.5
95.04973	1.9
95.08582	11.7
103.05412	1.3
105.07017	100.0
107.08589	11.1
115.00802	1.1
116.94483	1.1
117.07005	5.9
119.08558	78.2
127.97321	1.1
129.07002	1.1
131.08565	7.3
133.10106	41.6
142.07785	6.1
145.10069	2.1
147.11656	11.7
157.10095	5.5
160.12479	1.1
175.11214	10.4
175.14799	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	176.0917
Annotation	2-Aminoheptanedioic acid
Peak:m/z	Relative Intensity
54.81542	0.6
55.01861	0.9
55.05503	1.3
56.05023	0.7
56.96555	4.6
57.03430	0.7
60.00500	0.7
60.04508	1.4
68.53792	0.7
69.03412	1.0
69.07047	1.0
70.02936	0.8
70.06578	74.8
71.04977	100.0
72.04457	0.6
72.08146	0.8
73.02896	0.9
73.66041	0.6
79.12332	0.6
81.03407	0.7
85.02888	1.6
87.04458	0.9
88.03973	5.9
88.04442	0.6
88.07615	38.2
90.05544	1.2
95.04951	0.9
98.06033	1.3
98.97561	16.3
99.04427	5.7
112.07606	3.2
112.11220	3.0
112.99168	0.7
113.06000	3.2
116.07107	1.6
116.97254	5.9
116.98595	10.2
117.05479	7.3
127.03940	1.2
130.04984	7.3
130.08623	40.7
130.12262	7.1
131.00171	1.2
131.99547	1.1
134.08105	21.6
134.99623	5.9
141.05434	1.1
152.96907	2.8
161.01271	1.0
167.67844	0.7
175.98470	1.3
176.09155	5.5
176.12747	1.2
186.25157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0908
Annotation	Cinnamyl acetate
Peak:m/z	Relative Intensity
55.05504	0.5
64.27803	0.4
71.23865	0.5
79.05485	0.7
81.07019	1.0
83.70206	0.4
91.05453	6.0
91.16401	0.4
93.07006	2.7
105.07001	1.2
115.05423	3.4
116.06210	3.2
117.06220	0.9
117.07001	15.1
119.04891	2.0
121.06459	2.5
121.10110	0.6
131.08492	1.0
133.06485	3.9
134.07236	4.9
135.08038	2.1
144.05682	2.6
145.06477	2.8
159.11690	0.7
161.05919	0.7
162.06725	17.4
177.09073	100.0
183.61737	0.6
192.20953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.1
55.01854	1.0
55.05503	14.7
57.44065	0.9
60.14099	1.0
63.88208	0.9
67.05487	6.8
69.03403	1.6
69.07058	17.6
70.95852	1.8
71.04975	2.2
71.95869	2.0
72.93758	2.5
74.56309	0.9
75.79008	1.0
76.56297	1.5
79.05458	9.0
81.03407	4.2
81.07040	19.3
83.04945	4.1
83.08592	5.3
83.43098	0.9
88.02174	1.3
90.75453	0.9
91.05469	38.0
92.90083	1.6
93.07027	15.6
95.04944	1.6
95.08591	14.2
97.06516	1.5
98.97547	4.0
101.69481	1.0
103.05399	1.3
105.07018	81.4
107.04948	1.3
107.08586	11.3
115.05470	3.8
116.06204	0.9
116.97240	2.2
116.98599	4.9
117.07008	14.5
118.07796	1.4
119.04902	4.7
119.08566	100.0
121.10080	1.5
129.07014	9.2
131.08539	20.1
132.95834	2.5
133.06500	1.4
133.10114	57.3
133.95996	2.1
134.99664	2.2
142.07762	12.4
145.10094	10.0
146.10904	4.8
147.04309	1.1
147.08051	1.3
147.11678	21.6
150.96895	8.2
151.93745	1.0
151.97130	8.5
153.00653	1.4
156.97644	1.1
157.10138	8.4
173.13120	1.3
174.98637	2.4
175.11168	18.5
175.14795	84.3
182.11336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96174	0.8
53.03932	0.9
54.82034	0.8
55.05505	13.2
56.96550	1.8
67.05473	6.1
69.07056	16.3
71.82323	1.0
74.62242	1.2
79.05478	7.7
81.07035	20.3
83.08571	1.7
85.54170	1.0
91.05463	23.9
93.07021	10.9
95.04932	1.6
95.08583	14.5
98.97562	1.6
103.05435	1.5
105.07011	68.3
107.08595	11.3
110.55489	1.1
115.05437	2.5
117.06989	11.0
117.48879	1.1
118.07738	1.0
119.08559	89.7
119.26884	1.3
121.10091	1.5
129.06966	4.8
131.08553	14.9
133.10103	100.0
135.08127	1.3
139.78058	1.1
141.32225	1.1
142.07744	5.4
145.10101	7.1
147.11653	14.4
157.10069	2.4
160.08754	1.2
160.12404	1.6
162.79712	1.2
175.11125	11.7
175.14778	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05491	5.2
55.57985	0.8
62.17916	0.8
67.05482	5.5
67.95236	0.8
69.07052	10.4
79.05482	6.3
81.06678	0.9
81.07047	14.9
83.08583	1.5
91.05453	34.1
92.09270	1.1
93.07053	7.1
95.04945	1.5
95.08591	10.7
103.05410	3.5
105.07014	100.0
105.12365	1.0
107.08562	6.7
115.05436	1.1
117.06992	10.8
118.21417	0.9
119.04916	3.9
119.08556	71.1
119.27771	0.9
129.06976	4.0
131.08536	11.0
132.09311	1.7
133.10103	60.4
141.06969	1.0
142.07777	14.1
145.10124	2.0
146.10846	1.8
147.11673	13.5
157.10091	15.9
160.08809	1.3
160.12462	1.0
175.11163	26.1
175.14783	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05499	18.2
56.96545	11.2
69.07044	12.9
72.34246	2.3
79.05466	6.2
81.07038	16.9
91.05440	20.9
93.07018	16.3
95.08580	12.5
98.97556	6.0
105.07007	49.1
107.08588	7.0
109.73285	2.6
117.06977	5.0
119.08565	94.3
129.06956	3.8
131.08507	11.8
133.10107	100.0
142.07742	5.1
145.10069	6.5
147.11656	15.1
157.10068	4.6
158.03537	2.9
160.57306	2.7
175.11243	12.2
175.14787	84.9
179.02422	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44008	1.2
53.03926	1.4
54.81936	1.2
55.05507	14.9
55.91413	1.2
56.96562	11.5
57.07076	1.4
64.33498	1.2
65.03913	1.4
65.37395	1.2
67.05486	10.5
69.07055	14.2
76.00090	1.2
79.05481	13.8
80.03275	1.2
80.73822	1.2
81.07041	67.6
83.08611	1.7
86.36074	1.4
91.05459	40.2
93.07025	15.9
95.04929	7.0
95.08588	30.4
98.97543	1.4
103.05386	1.8
105.07014	100.0
107.08578	22.5
117.06973	11.8
119.08563	97.9
121.10092	1.4
129.06953	9.4
131.08534	18.1
132.09349	7.4
133.10112	90.0
136.66959	1.4
142.07785	16.8
145.10092	6.7
146.07350	1.7
146.10855	5.5
147.11681	20.0
157.10100	13.7
160.08855	2.1
160.12485	1.7
175.11201	30.4
175.14793	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03970	0.9
55.05489	7.4
65.14989	1.0
67.05492	4.0
67.07639	1.1
67.22971	1.3
69.07055	19.2
73.97122	1.0
79.05448	5.5
81.07040	19.3
83.08594	1.6
91.05464	29.4
93.07028	9.3
95.04949	2.2
95.08577	11.9
103.05479	1.5
105.07008	77.3
107.08540	10.7
109.10113	1.2
112.87094	1.2
115.68691	1.0
117.06986	15.4
119.04861	1.2
119.08552	81.3
129.06964	1.9
131.08531	7.8
132.09291	5.0
133.10103	100.0
142.07721	5.0
145.10120	2.2
146.10887	1.7
147.08022	1.4
147.11697	12.9
157.10170	8.4
175.11143	13.2
175.14772	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
52.04141	1.0
53.03962	1.0
55.05506	13.6
56.96544	1.9
65.03915	2.3
67.05492	5.8
68.84374	1.0
69.07056	16.5
77.59583	1.1
79.05463	6.1
81.07041	23.8
83.04958	1.2
83.08601	1.6
91.05459	77.5
93.07015	11.6
95.04951	1.5
95.08590	11.0
98.97553	28.8
104.06202	1.3
105.07017	79.4
107.08564	13.6
109.10113	1.2
115.05415	1.9
116.98580	13.5
117.06986	8.5
119.08554	100.0
129.06976	7.0
131.08540	14.5
132.95789	1.2
133.10100	51.8
134.99657	4.9
142.07785	8.9
145.10077	2.7
146.10822	1.9
147.08055	1.7
147.11662	19.7
151.96919	1.6
157.10074	10.7
158.99611	4.6
160.05165	5.2
160.08826	1.8
173.13216	1.5
175.07500	6.3
175.11230	11.2
175.14783	86.9
177.00661	5.7
180.79721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05509	11.2
56.96561	41.6
63.87967	1.5
64.19025	1.7
65.16241	1.6
65.58824	1.7
67.05496	15.3
69.07064	14.3
71.04987	2.3
79.05478	25.0
81.07044	54.3
83.08607	1.6
91.05468	42.4
93.02812	1.7
93.07033	28.8
95.04943	7.8
95.08593	48.9
105.07022	100.0
107.08572	12.9
108.94690	1.7
109.06459	2.0
109.10152	2.1
112.58588	1.7
114.81969	1.7
115.00694	3.0
115.04159	2.0
117.07009	12.0
119.04889	2.2
119.08572	76.4
121.06532	3.3
129.02263	8.6
129.06992	9.6
131.08566	11.8
133.06447	2.9
133.10117	47.4
141.02188	1.7
141.07057	2.5
142.07776	23.6
145.06509	2.7
145.10136	8.0
147.03268	17.6
147.08066	2.8
147.11668	26.8
157.01646	2.5
157.10110	15.9
160.08817	4.1
161.01225	2.5
165.04407	7.6
175.11197	40.5
175.14795	51.7
191.03682	1.7
193.05391	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.32143	0.7
55.05505	8.9
56.36615	0.8
56.96550	10.3
57.07071	20.7
67.05506	1.6
69.07064	8.1
76.49709	0.9
79.05474	5.1
79.56760	0.9
81.07048	10.2
91.05463	26.3
93.07011	8.4
95.04913	1.4
95.08591	6.0
103.05465	1.9
105.07014	50.8
107.08576	5.3
116.35405	1.0
116.98583	1.2
117.07008	11.4
119.04904	1.3
119.08562	100.0
129.06966	2.1
131.08534	7.1
132.09308	1.5
133.06505	1.2
133.10100	48.3
142.07764	8.7
145.10069	1.3
147.11668	8.0
157.10159	8.6
159.03310	1.1
160.08777	1.4
170.08675	1.0
175.11171	15.6
175.14784	27.2
177.04338	3.3
189.23061	1.0
191.05922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.56509	0.5
55.05489	3.1
56.96563	6.6
69.07034	2.9
79.05470	3.8
80.14892	0.5
81.07023	3.2
87.16167	0.6
91.05463	8.5
92.63396	0.7
93.07023	2.6
95.08552	1.1
97.02345	0.7
103.05434	0.8
105.07018	100.0
107.08579	0.8
112.54489	0.7
115.05441	2.8
117.07020	1.3
119.04959	1.0
119.08562	14.1
121.28186	0.6
128.06178	1.1
129.06963	7.6
129.82129	0.6
131.08549	11.1
133.06470	1.1
133.10117	9.8
141.07001	5.2
142.07761	67.5
145.06494	1.0
145.10115	3.1
146.07158	0.8
147.11655	2.7
155.08553	0.7
157.10107	48.0
159.07994	1.0
160.05110	0.7
160.08731	1.1
166.17035	0.7
175.07605	2.4
175.11159	37.9
175.14783	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03913	1.3
53.67049	1.1
55.01862	4.9
55.05505	15.3
56.96558	14.6
57.03413	7.2
59.04993	1.4
67.05473	6.2
69.03418	1.3
69.07033	6.5
71.04955	5.2
72.05752	19.0
75.04451	2.2
79.05481	10.6
81.07040	12.8
83.04965	19.9
83.08607	1.1
87.04456	15.9
91.05457	29.1
93.07037	11.1
93.79318	1.2
95.04910	6.3
95.08578	6.0
97.06509	2.7
98.03648	2.0
98.97542	1.2
99.04443	1.4
99.22625	1.2
103.05435	1.4
105.07011	95.0
107.08586	6.1
115.05436	2.8
116.06216	1.9
117.07021	12.7
119.04899	8.6
119.08559	75.2
121.06454	4.6
125.05922	1.1
128.06232	1.6
129.07013	13.7
130.07762	1.3
131.08531	24.9
133.06465	9.7
133.10114	37.1
141.07002	5.5
141.09143	1.5
142.07753	52.3
142.72733	1.3
145.06491	1.6
145.10085	7.4
146.07242	2.3
147.08038	5.7
147.11664	14.7
157.10098	54.1
160.08804	5.2
164.07664	2.0
175.11150	100.0
175.14761	22.7
175.18822	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.94586	0.9
55.05495	1.7
55.75546	0.8
69.97873	1.0
71.43084	0.9
71.87553	0.9
75.69688	1.1
79.05456	1.0
79.55334	0.9
87.56128	0.9
91.05450	5.0
94.47340	0.9
105.07011	81.5
114.36961	1.1
117.06996	4.1
119.04915	17.6
119.08552	46.3
129.06979	6.4
131.08447	1.3
133.10071	7.3
141.06918	1.6
142.07755	57.4
145.10132	1.4
148.43304	1.0
157.10095	70.8
162.00476	1.0
175.11148	100.0
175.14612	1.9
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
55.05502	0.7
55.61484	0.6
59.19161	0.4
64.35767	0.5
69.07040	1.1
72.71299	0.5
79.05467	1.0
80.68867	0.5
81.07036	3.2
91.05460	8.7
93.07022	1.0
95.04982	0.6
95.08585	2.7
105.07014	100.0
115.05435	1.2
117.07009	3.1
119.04910	0.9
119.08567	13.6
128.06180	0.7
129.07008	6.3
131.08549	17.6
133.06467	1.0
133.10088	9.2
141.06995	4.8
142.07764	51.8
145.10106	2.6
146.07329	0.6
147.08051	0.9
147.11627	3.9
150.70407	0.5
155.08508	0.6
157.10104	48.7
159.08058	0.5
175.11151	39.6
175.14732	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01861	1.6
55.05511	2.9
56.96554	2.5
59.90747	1.3
65.11801	1.3
69.07037	2.4
79.05487	3.5
81.07047	2.7
91.05464	16.8
93.07014	1.5
105.06360	3.0
105.07016	53.4
115.05435	2.1
117.06988	6.8
119.04927	8.3
119.08562	61.0
129.06995	13.1
131.08557	9.9
133.06407	1.5
133.10104	39.7
142.07759	35.7
147.11662	15.7
151.97871	1.5
157.10100	37.6
160.05074	2.3
171.77139	1.5
175.07524	3.4
175.11168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.81438	0.6
55.05492	2.2
56.96550	4.6
57.03411	0.6
60.62577	0.5
61.02915	28.0
67.05478	2.6
67.96126	0.5
69.03407	1.2
70.95843	1.2
71.04965	0.7
72.93766	0.9
77.03869	0.7
79.05473	100.0
81.07032	0.9
83.04951	1.4
83.08610	1.0
85.02850	0.5
90.94862	0.8
91.05451	10.8
92.09287	0.8
93.07022	65.6
95.04948	6.2
95.08544	0.8
97.06507	41.9
97.99179	1.4
98.97556	2.8
99.04453	0.8
105.04478	1.1
105.07008	12.2
109.06503	1.0
111.04430	1.1
111.08057	1.5
116.00198	0.7
116.97172	3.3
116.98588	2.4
119.04913	1.3
119.08543	6.5
121.01807	0.6
121.06473	12.6
122.04851	0.8
131.05327	1.0
131.08495	0.7
132.95799	1.3
133.10091	1.0
133.95975	0.7
139.07516	54.8
142.07765	6.4
150.96835	2.7
151.97084	1.5
153.34525	0.6
157.08549	2.6
157.10112	6.3
157.95065	0.6
158.05998	0.7
175.11125	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.83270	1.0
54.81913	1.4
55.05507	14.3
56.96544	5.9
57.03408	1.1
57.07056	1.8
67.05476	4.8
71.04961	1.2
71.29364	1.2
72.93787	2.1
79.05460	5.0
81.07041	6.8
83.04967	11.8
85.06520	2.4
87.04433	1.6
91.05470	17.1
93.07005	2.4
93.65781	1.1
101.05985	7.6
105.07024	22.7
111.04449	9.2
113.05986	1.3
115.05418	2.4
116.06204	4.9
117.06988	11.7
119.08543	11.7
127.07533	1.6
128.06221	4.7
129.05481	1.5
129.06998	14.4
130.07738	7.1
131.08549	100.0
133.10068	1.3
143.08560	20.9
144.09319	7.6
145.10117	45.3
150.96820	1.3
155.07024	7.2
155.08536	6.0
158.07227	9.3
158.10907	25.9
173.08064	11.2
173.09599	13.4
173.13226	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	174.0761
Annotation	(2S,5S)-trans-Carboxymethylproline
Peak:m/z	Relative Intensity
50.17101	0.3
53.11855	0.3
53.80723	0.3
55.01863	0.3
55.05503	8.9
56.05017	0.8
56.96547	1.7
60.04499	0.4
67.05489	1.8
68.04996	0.7
69.03411	0.4
70.06589	2.9
70.95850	1.3
71.04971	0.6
72.93784	0.8
82.06565	54.5
82.23411	0.3
83.04982	0.5
84.04480	3.9
84.05260	0.3
85.02863	0.3
86.06035	1.3
86.09684	0.4
97.02882	0.6
100.03931	0.4
100.05274	0.4
100.05888	0.6
100.07581	2.9
103.02327	0.4
110.06049	1.6
111.04453	0.4
111.98489	0.5
114.04694	0.5
114.05507	12.9
114.06262	0.6
115.03902	0.4
128.07056	100.0
128.10687	1.3
132.08087	1.2
132.95799	1.5
150.96832	3.8
156.06519	3.7
159.10399	0.5
171.97855	0.3
173.98459	1.5
174.04065	0.4
174.05922	0.6
174.07523	9.1
174.11339	1.1
174.12766	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	175.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93508	3.5
58.99852	2.8
68.56363	0.5
70.95840	1.3
77.00873	1.0
85.01389	6.8
92.08757	0.9
98.97588	5.8
100.02431	1.0
101.00854	13.2
103.02426	37.4
105.07030	7.3
115.02386	7.9
116.97191	2.4
116.98576	3.4
119.01899	74.8
119.04904	1.2
119.08560	4.0
121.03462	23.5
128.95030	1.3
129.07005	0.6
131.01894	3.3
132.95857	1.1
133.03448	76.8
134.03612	0.7
134.07111	0.7
134.99637	2.8
137.02933	28.3
137.50002	0.9
138.00140	0.8
138.49911	0.9
142.03448	2.8
142.07767	4.5
145.03452	16.7
146.96185	0.7
149.00885	0.7
149.02931	1.3
150.96854	2.8
151.04501	28.1
151.97037	1.0
157.03464	3.1
157.10092	5.6
163.04524	7.5
175.04492	100.0
175.11180	8.4
177.79968	0.8
193.05582	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.60911	0.9
53.03928	0.9
55.05497	4.3
67.05486	2.0
79.05478	8.2
81.07045	16.8
91.05468	21.3
93.07010	6.2
95.08572	1.2
101.86242	1.1
105.07013	29.1
107.08571	1.5
111.04425	1.6
112.37077	1.0
115.05428	4.1
116.06206	5.0
117.06997	16.6
119.08571	15.0
128.06258	1.3
129.06970	16.6
130.07764	5.7
131.08543	100.0
136.67032	1.0
140.65851	1.0
143.08574	18.6
144.09361	10.8
145.10114	40.6
152.02330	1.2
155.07077	1.2
157.10126	1.0
158.10886	18.9
166.16982	1.1
173.08128	1.1
173.13226	86.2
189.06444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05492	16.4
56.96561	6.0
59.04967	2.2
61.45879	1.8
65.06787	1.4
66.16792	1.6
67.05474	6.8
70.95847	2.3
72.93757	10.9
79.05473	2.4
80.70986	1.3
81.07024	8.2
83.04939	13.8
85.06500	1.5
90.94795	3.7
91.05453	20.8
93.07016	7.5
95.04959	1.9
95.08556	3.1
100.78288	1.6
101.05998	6.8
105.07010	18.4
111.04423	12.3
111.98469	2.1
115.05441	3.5
116.06230	2.6
117.06976	12.0
119.08536	15.7
127.07555	1.9
127.60724	1.5
128.06161	2.9
129.06958	9.8
130.07741	7.4
131.08545	83.9
132.95773	2.3
133.10083	2.4
137.47055	1.7
142.07765	1.4
143.08562	23.9
144.09305	11.1
145.10114	42.8
150.96843	9.1
155.06969	6.6
158.07219	2.3
158.10896	44.6
173.08049	15.2
173.09599	14.8
173.13210	100.0
176.50888	1.7
186.47281	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0556
Annotation	(R)-AMAA
Peak:m/z	Relative Intensity
51.32057	1.9
55.05494	16.2
56.05022	2.5
56.96549	16.9
61.02916	2.3
65.54884	2.0
69.03429	2.3
70.06548	3.8
71.04977	2.2
72.08135	8.7
81.03383	2.7
83.04954	11.4
85.02889	3.3
98.04745	3.9
99.04443	3.4
99.05550	60.8
99.68548	2.1
101.06003	4.6
111.04449	4.7
111.10577	2.4
114.09190	4.1
116.98645	2.1
126.40561	2.1
127.04019	6.2
127.05003	100.0
127.08768	2.3
129.05464	2.1
137.03438	4.0
137.06052	2.6
149.97093	4.5
155.04482	2.4
155.06966	4.3
157.13284	2.2
158.07172	2.6
173.05554	19.6
173.07944	8.7
173.09340	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	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03936	0.9
55.05489	2.7
56.96562	1.2
67.05455	1.5
69.07037	2.0
78.25739	1.0
81.07038	11.3
83.04965	2.4
91.05476	9.3
91.50327	1.1
95.08567	2.5
101.06016	1.6
105.06364	1.6
105.07012	28.3
111.04433	1.7
111.84964	1.0
115.05402	2.4
115.25146	1.0
116.06208	1.0
117.06986	12.4
119.08549	6.8
128.06184	1.7
129.06967	14.0
130.07764	15.2
131.08540	67.6
143.08553	8.7
144.09285	5.0
145.10103	100.0
153.06900	6.8
155.07190	1.5
155.08522	40.6
157.06395	1.6
158.07233	92.2
158.10823	9.8
173.08202	4.0
173.09570	95.8
173.13203	43.2
173.14705	1.3
183.09152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
55.05504	13.0
55.05724	1.4
56.96554	5.8
57.07066	2.2
59.04970	1.8
65.03942	1.5
67.05484	3.6
68.18343	1.5
72.93762	2.2
79.05481	2.4
81.07015	6.4
82.07341	1.7
83.04947	8.3
87.35331	1.6
91.05462	19.9
92.08722	2.2
93.07043	3.3
96.05614	1.6
101.05993	3.2
105.07014	30.3
111.04423	7.9
115.05418	9.8
116.06203	2.0
117.07010	19.5
119.08550	9.5
121.21647	1.5
128.06189	3.6
129.05469	2.1
129.07028	18.0
130.07817	17.8
131.08543	81.0
143.08534	18.0
144.09329	2.9
145.10110	96.3
150.96806	3.5
153.06934	6.2
154.07797	2.8
155.07182	3.1
155.08534	39.5
158.07245	75.8
158.10895	27.3
173.08076	12.6
173.09570	100.0
173.11816	3.3
173.13234	90.9
183.09087	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	2,6-Dimethyl-3,7-octadiene-2,6-diol
Peak:m/z	Relative Intensity
53.00289	2.4
53.03931	4.3
55.05511	19.2
56.96550	1.9
57.03406	1.1
57.07061	1.7
59.04988	6.7
60.87874	0.9
65.03942	1.3
67.05495	9.0
69.07059	24.0
71.04983	40.1
72.04501	13.2
73.06543	16.5
79.05479	33.2
81.07043	100.0
83.04992	1.2
83.08593	7.9
85.06575	1.5
89.06647	0.9
89.07140	8.6
91.05466	14.7
93.07028	45.2
95.04947	8.3
95.08577	5.9
97.06512	14.4
99.04440	1.9
105.07012	4.1
107.08578	43.6
109.06496	8.2
109.10135	5.8
111.08073	5.2
117.06982	1.7
122.06731	0.9
122.57336	1.1
125.09629	5.5
128.06197	4.7
135.08081	1.6
135.11678	28.2
141.06955	2.3
142.07745	2.0
143.08582	9.9
153.09178	2.1
153.12732	15.5
156.09331	6.9
171.11676	8.5
171.14908	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	171.1378
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03930	0.2
55.05500	1.7
57.06859	0.1
57.07067	2.5
57.57790	0.2
58.51543	0.1
59.04979	0.6
60.95398	0.1
67.05491	10.6
69.07051	7.5
71.04943	0.2
72.04488	1.1
79.05482	2.7
80.14167	0.2
81.07037	4.5
83.04961	0.4
83.08588	1.7
89.07130	0.7
91.05461	2.4
93.07026	9.7
95.04948	0.8
95.08582	5.0
97.06514	1.2
105.07011	0.8
107.08575	13.4
109.06473	0.7
109.10138	100.0
110.10464	0.3
111.11695	1.4
111.44891	0.2
119.08515	0.7
119.10436	0.2
125.13248	0.3
135.11667	10.8
143.08510	0.2
153.12726	6.9
156.09343	0.3
157.48663	0.2
171.11658	0.2
171.13676	0.2
171.14960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.00308	2.1
53.03936	5.9
55.01870	18.8
55.05511	55.2
56.96552	6.2
57.03419	3.6
59.04983	14.7
61.02906	16.9
63.37472	2.1
65.03926	4.5
67.05492	36.2
69.03421	24.2
69.07053	13.9
71.04974	23.0
72.04126	3.9
72.04505	85.2
72.04904	3.6
78.16753	2.3
79.05479	71.2
81.03406	6.1
81.06599	4.6
81.07039	87.1
83.04974	17.7
83.08607	36.4
85.06542	5.2
89.07143	42.0
91.05467	57.3
91.32208	2.4
92.09307	3.8
93.07030	100.0
95.04945	33.7
95.08582	24.9
97.06510	10.5
97.10153	2.5
99.04414	17.7
105.04551	2.7
105.07010	37.6
106.70139	2.6
107.08578	84.6
109.06511	66.8
109.10141	6.1
111.04432	5.1
111.08078	22.6
115.05424	15.5
117.07041	28.0
119.05984	2.8
123.08086	4.3
124.04608	4.7
125.09624	16.3
128.06183	13.8
129.06987	4.1
135.08063	27.1
135.11795	2.4
141.06984	5.4
142.07767	5.4
143.08575	20.3
153.09120	12.6
155.08528	2.4
156.09331	40.0
156.94003	2.3
171.11688	29.4
171.14897	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
54.82203	0.5
55.05512	4.2
56.96552	0.6
67.05470	0.8
69.07037	0.7
72.04146	0.7
72.04494	7.1
76.56995	0.5
79.05484	2.4
81.07040	2.2
83.08595	3.2
89.07153	4.5
91.05459	2.4
93.07009	2.6
94.07343	0.8
95.04974	0.9
98.97569	0.5
105.07026	2.6
105.68382	0.5
107.08581	4.4
108.08910	2.5
111.08089	0.5
115.05435	1.3
119.08531	0.5
128.06203	13.1
129.06975	8.0
130.07777	0.9
131.08524	0.7
135.11656	1.1
138.90758	0.7
141.06966	27.6
142.07776	8.8
143.08543	28.4
153.07051	0.9
155.08505	7.9
156.09319	100.0
171.11659	54.6
171.13182	1.3
171.14865	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	171.1378
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
51.40704	1.3
55.01865	3.9
55.05503	25.7
55.91452	1.3
56.96545	1.6
57.03411	2.7
57.07059	3.8
57.80281	1.4
59.04982	3.4
62.34069	1.6
64.37852	1.4
65.03929	1.8
66.51831	1.3
67.05487	21.9
68.57650	1.4
68.96323	3.5
69.03411	3.4
69.06715	2.0
69.07060	43.4
70.06577	1.9
70.19765	1.5
70.94232	4.0
71.04973	3.8
72.04494	46.7
79.05486	18.9
81.07043	15.9
83.04965	6.1
83.08602	21.7
84.46705	1.5
85.06526	2.2
89.07139	18.0
91.05466	20.3
93.07021	61.5
95.04946	12.9
95.08583	29.7
97.06501	37.7
105.07009	6.8
107.08577	100.0
109.06488	9.1
109.10139	42.8
111.04446	2.0
111.08071	8.7
111.11674	2.5
115.05467	1.5
119.08571	3.5
125.09610	9.4
128.06230	1.8
130.96315	2.6
135.07993	2.7
135.11667	84.1
141.06955	1.8
143.08469	2.8
148.97351	10.9
153.09076	7.2
153.12717	24.2
156.09317	14.7
171.11690	7.9
171.14888	24.6
171.98868	3.2
193.06131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.9
55.01857	16.9
55.05512	32.6
56.96545	9.0
60.90484	4.0
68.99772	21.7
69.03413	9.7
69.07030	5.7
71.01360	3.5
72.04505	100.0
79.05460	28.5
81.03386	36.9
81.07055	5.4
83.04958	20.3
83.08604	31.5
89.07144	63.8
93.07034	8.9
95.04924	8.5
97.02845	8.8
97.06503	9.7
107.01279	10.2
107.04919	19.0
109.02832	20.4
111.00781	23.9
111.04407	23.8
111.08028	4.8
125.02338	19.2
125.05949	19.1
125.06944	3.8
127.03901	8.2
139.00214	21.2
139.03889	17.5
144.41583	4.2
148.97327	5.0
153.01828	26.2
153.05466	22.3
157.01320	5.5
171.02676	48.9
171.14925	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01869	5.2
55.05509	10.6
56.96558	5.3
59.17504	0.6
59.65239	0.5
62.58227	0.5
65.03600	1.5
65.03933	29.1
65.04279	1.0
67.05500	3.8
68.99776	11.2
69.03428	4.4
69.07059	1.6
70.34416	0.6
70.94261	1.2
71.04999	1.2
72.04506	16.0
76.24213	0.6
79.05484	3.3
81.03411	7.1
81.07046	1.2
83.04968	20.5
83.08615	5.8
88.95287	1.6
89.07139	9.1
91.05470	1.5
93.03391	8.7
93.07036	5.3
95.04960	9.3
96.02076	1.3
97.02870	2.7
97.06522	0.8
98.97571	1.2
99.04478	0.7
107.01265	1.1
107.08606	1.3
109.02901	1.5
109.06557	1.6
110.03686	0.7
111.04432	100.0
111.08080	4.9
113.06004	3.5
121.04006	6.3
121.06516	1.3
122.06863	0.9
125.06023	0.8
127.03921	0.7
130.96233	0.8
139.03889	88.0
148.97382	1.2
153.01839	1.5
153.09084	0.8
171.06490	8.4
171.14908	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	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.51679	0.4
53.03939	0.4
56.96564	2.2
59.03599	0.4
68.19681	0.4
78.70647	0.5
79.05476	2.5
80.05021	0.5
84.04498	1.2
85.02888	0.5
92.09208	0.7
96.08117	4.0
96.51691	0.4
106.06554	1.8
114.05479	1.8
123.06792	1.1
124.07581	7.8
125.67319	0.5
134.05998	93.6
142.04941	1.0
147.03235	0.6
149.92723	0.7
150.05516	0.6
152.07051	100.0
153.07298	0.7
170.08115	16.8
170.09584	0.6
171.11320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97607	0.4
53.03933	0.7
54.15903	0.4
55.05504	23.4
60.34037	0.4
62.34077	0.4
67.05479	0.6
69.07055	1.1
71.04975	64.1
79.05479	4.6
81.07037	0.7
83.08603	100.0
84.08129	0.6
85.06534	4.8
89.07129	0.5
90.11663	0.4
91.05452	1.2
93.07027	11.7
95.04920	0.6
95.08565	0.6
97.06526	0.7
101.15698	0.4
107.08579	6.9
109.10148	0.7
111.08070	0.6
119.08596	0.6
124.12021	0.6
128.06213	0.5
130.57561	0.5
135.11693	7.4
170.09593	0.7
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	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03930	4.9
54.21659	0.6
55.01860	1.0
55.05502	5.8
57.03416	3.6
57.07067	1.7
59.04717	1.6
59.04991	29.7
67.05486	21.9
69.03407	4.7
69.07050	7.9
71.04978	11.7
79.05474	15.6
81.07037	65.5
81.63936	0.9
83.04954	3.5
83.08588	1.6
85.06514	1.1
87.04450	6.1
88.48091	0.7
89.06001	0.9
91.05455	29.9
93.07021	100.0
94.07814	1.0
95.04935	16.5
95.08576	8.6
97.06497	1.3
105.07012	33.6
107.08575	35.6
108.09364	4.5
109.06490	11.6
109.10148	24.8
111.08062	17.7
121.10084	3.8
123.08039	1.8
123.11676	19.7
125.09592	7.0
127.13557	0.8
133.10103	25.2
151.11179	14.5
156.19998	1.0
169.12204	8.1
172.02954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52903	0.7
56.96559	13.3
67.05482	1.2
68.99767	4.3
69.03397	1.1
79.05462	3.5
81.03387	2.2
81.07028	3.4
82.01803	2.0
82.07367	1.1
91.02319	6.3
91.05446	4.5
93.02824	14.0
93.06998	1.6
93.98325	0.9
94.01803	1.1
97.02902	0.9
100.03562	0.9
101.02569	1.8
102.03339	13.0
103.02303	6.4
104.03061	0.9
106.03561	1.4
107.08617	1.2
109.02882	8.9
109.04066	1.0
110.03068	5.0
112.01580	8.0
115.04115	21.3
115.54289	2.0
118.07505	0.8
119.08574	1.6
124.04619	19.0
124.54855	1.2
125.02286	1.2
125.34468	1.0
126.54855	4.6
127.03897	79.4
133.05145	1.1
135.55403	5.4
137.09622	1.3
140.04659	1.4
155.03371	100.0
165.02187	1.1
170.05705	83.3
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
50.97910	1.0
52.96215	1.0
53.00313	1.0
53.03948	2.7
55.01867	1.9
55.05508	10.0
57.03416	1.5
57.07062	5.9
59.04992	13.9
67.05494	36.8
69.07061	8.4
71.04981	23.7
79.05476	27.0
81.03399	1.1
81.07037	100.0
83.04973	2.7
83.08590	1.4
91.05463	22.6
93.07022	22.5
95.04958	8.9
95.08594	25.9
99.08105	1.4
105.07013	26.8
107.08574	56.3
109.06496	14.7
109.10139	27.0
111.07997	1.4
113.05992	1.8
121.10143	2.1
123.08060	2.3
123.11684	34.6
133.10104	20.3
151.11165	15.6
169.12236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03926	3.7
55.01865	15.9
55.05494	12.1
57.03420	11.8
57.07055	7.5
59.04992	14.0
59.51225	1.6
61.71468	1.8
63.29914	2.0
63.76998	1.8
64.33691	1.6
67.05496	55.5
69.03419	9.3
69.07056	37.3
71.04971	4.8
71.26502	1.8
72.96298	1.8
79.05480	21.4
81.03378	3.7
81.07043	100.0
83.04953	10.8
91.05466	36.8
93.07026	40.4
95.04953	63.8
95.08581	25.2
97.06499	3.8
105.07018	37.1
107.08581	54.4
109.06499	46.0
109.10145	39.3
111.08087	3.3
113.05954	2.2
119.05874	1.9
121.10109	3.6
123.02724	1.8
123.08025	21.6
123.11691	71.3
131.08583	2.4
133.10115	23.4
151.03951	2.3
151.11171	68.2
169.12215	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	169.1222
Annotation	Geranic acid
Peak:m/z	Relative Intensity
51.22503	0.6
53.03924	1.2
55.01863	1.6
55.05489	4.2
56.47936	0.7
57.03423	1.1
57.07062	3.1
59.04991	1.8
61.02903	4.4
65.03918	1.6
67.05492	47.7
69.03413	1.1
69.07041	4.2
69.10128	0.8
79.05467	21.7
81.03410	1.1
81.07037	68.2
83.04967	3.3
91.05460	35.0
93.07021	21.1
95.04952	12.3
95.08585	12.4
105.07011	30.3
107.08577	100.0
109.06501	13.2
109.10140	53.5
112.45260	0.9
116.59260	0.7
119.06033	1.3
121.10125	2.9
123.08045	3.4
123.11677	25.1
131.08557	1.0
133.10100	20.7
151.11172	14.9
154.28470	0.9
169.12175	6.2
177.11153	0.9
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	Geranic acid
Peak:m/z	Relative Intensity
50.37156	0.9
50.44730	0.9
51.48591	0.9
55.05524	4.1
57.07079	2.3
59.04992	17.8
65.03930	5.7
67.05145	2.5
67.05499	70.1
69.03410	2.5
69.07053	3.0
71.04962	1.4
75.76186	1.1
79.05490	13.5
81.07046	67.9
83.04974	2.0
91.05457	17.5
93.07030	30.2
94.15735	1.1
95.04952	45.4
95.08569	14.4
95.09027	1.1
100.93523	1.2
105.07019	20.2
107.08589	33.0
109.05820	2.3
109.06512	49.7
109.10146	100.0
111.08041	2.3
121.10101	1.7
123.08048	8.5
123.11682	28.5
133.10120	18.2
151.11186	14.7
167.59471	1.8
169.12218	5.6
174.03683	1.2
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	1.7
55.05506	13.1
57.03424	6.9
57.07061	6.9
59.04988	25.9
61.02906	5.8
65.03923	8.9
67.05143	2.1
67.05493	59.0
69.03409	5.0
69.07052	5.5
71.04967	2.0
71.05339	1.0
72.82529	1.3
74.05655	1.1
78.26323	1.1
79.05484	21.2
81.03410	1.1
81.07039	93.0
83.04977	4.8
83.08591	5.4
85.02879	1.4
90.80766	1.4
91.05451	31.8
93.03397	2.1
93.07020	43.9
95.04953	17.6
95.08583	21.1
105.07008	30.7
107.08578	100.0
109.06517	15.2
109.10141	68.1
111.04438	8.4
111.08057	14.2
113.05991	1.2
121.10145	2.4
122.81370	1.2
123.04444	1.6
123.08054	6.3
123.11686	61.5
133.10118	23.9
151.03889	2.9
151.11166	19.6
169.04881	1.9
169.12202	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	169.1222
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
51.02357	0.6
53.03940	3.9
55.01874	0.7
55.05313	0.3
55.05508	5.6
56.96552	0.6
57.03430	4.1
59.04990	47.3
60.05391	0.4
60.77216	0.4
65.03931	1.0
67.05490	10.8
69.03410	0.7
69.07047	1.9
71.04972	2.0
77.03911	0.9
77.95023	0.4
79.05470	14.9
79.05906	0.9
79.72216	0.5
81.03369	0.6
81.07036	22.8
82.24746	0.5
83.04950	0.9
91.05460	54.5
92.08571	0.8
93.07019	100.0
95.04942	12.8
95.08582	13.3
105.04488	2.3
105.07008	36.1
107.08577	8.1
109.06487	2.2
109.10142	3.6
117.06995	0.5
118.07754	0.6
121.10136	0.7
123.08016	1.1
123.11674	4.0
131.08498	2.0
133.10106	28.3
144.36139	0.4
148.25273	0.4
151.03851	0.5
151.11188	4.2
166.30275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
51.12569	0.4
53.03939	3.9
55.05508	4.4
56.20432	0.4
57.03428	4.2
59.04990	47.7
65.03920	0.8
67.05492	11.9
68.19573	0.5
69.07061	0.9
71.04976	2.1
77.03884	0.5
79.05473	14.2
81.07037	20.0
83.04964	1.8
91.05460	49.9
91.71976	0.4
93.07021	100.0
95.04948	13.1
95.08579	11.6
98.20522	0.4
105.04502	1.9
105.07011	34.0
107.08576	10.5
109.06496	2.7
109.10143	2.1
114.88969	0.4
121.10122	0.7
123.08054	0.8
123.11691	5.6
129.27454	0.4
131.08563	1.1
133.10097	26.3
141.05472	0.4
151.03815	0.6
151.11162	3.4
163.18170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.00294	1.1
53.03938	4.8
53.97162	0.7
55.01865	4.3
55.05500	13.2
56.96550	5.1
57.03426	3.3
57.07066	22.1
59.04984	5.1
60.95819	0.8
65.03941	1.9
67.01851	1.3
67.05492	64.0
69.03416	78.4
69.07046	3.5
71.04974	3.6
72.07935	0.8
77.03930	0.9
79.05472	18.8
81.03402	6.0
81.07037	76.1
83.04961	4.8
83.08614	1.8
85.06519	11.0
91.05459	16.6
93.00023	0.8
93.07029	37.5
95.04958	14.0
95.08585	97.4
105.04516	0.8
105.06445	0.7
105.07013	29.3
107.08575	30.9
108.05716	3.2
109.06499	10.1
109.10131	14.4
111.04441	1.0
111.08069	4.1
123.08045	73.0
123.11676	16.8
125.09597	20.3
126.03093	1.0
133.05179	0.9
133.06435	1.0
133.10089	9.4
141.05424	1.2
151.03955	1.9
151.07521	100.0
151.11125	8.8
154.07826	0.9
163.18808	0.8
169.08522	3.8
169.10045	1.1
169.12224	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	169.1222
Annotation	Geranic acid
Peak:m/z	Relative Intensity
50.35836	0.4
53.03938	1.1
55.01857	0.8
55.05498	2.9
57.03413	0.6
57.07058	0.9
58.76059	0.5
59.04988	17.7
60.94705	0.5
65.03905	0.9
65.06580	0.5
67.05487	8.8
69.03411	2.3
69.07041	2.4
71.04978	5.0
72.08443	0.5
79.05466	9.6
81.03365	0.7
81.07035	31.8
83.04964	0.7
83.08582	0.7
86.66776	0.5
87.04414	4.2
89.05993	0.7
91.05457	14.8
93.07016	27.2
95.04942	4.0
95.08595	5.6
104.79153	0.5
105.07005	21.4
107.04923	0.6
107.08574	100.0
109.06496	8.6
109.10144	12.7
111.08047	3.2
119.06039	1.2
121.10098	2.4
123.04371	0.7
123.08038	3.2
123.11660	6.4
133.10091	5.9
151.07571	1.1
151.11153	23.1
158.71628	0.6
169.04935	0.6
169.12199	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	169.1223
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
51.16435	1.0
53.03939	2.6
55.01865	2.4
55.05507	13.7
56.96550	9.4
57.03417	2.4
57.07059	6.8
59.04992	11.9
61.02905	2.8
65.03916	2.0
67.05491	48.6
69.03402	8.2
69.07056	12.1
71.04974	8.5
79.05470	21.3
80.06271	2.2
81.03394	2.4
81.07038	100.0
83.04959	8.9
83.08579	1.5
88.98268	1.2
91.05447	29.7
93.07029	34.7
95.04937	15.3
95.08588	35.8
97.06503	1.4
101.46629	1.5
103.05407	1.5
105.07011	38.9
107.08579	74.0
107.09300	2.7
109.06498	21.3
109.10148	43.4
111.08041	3.2
112.69590	1.3
119.00036	1.5
121.10057	1.7
123.08072	13.3
123.11676	40.0
131.08531	2.0
133.10121	17.5
141.05411	1.6
141.06966	1.6
150.15211	1.4
151.03833	2.8
151.07521	3.0
151.11157	17.8
169.08655	2.5
169.10115	6.4
169.12160	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	169.1222
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
51.30732	0.2
53.00302	0.3
53.03923	0.3
55.01894	0.2
55.05517	1.4
56.96550	0.8
57.03432	0.2
57.07068	0.5
58.74230	0.1
59.04983	0.4
62.56480	0.2
67.05494	9.7
69.03423	2.5
69.07047	1.1
69.81822	0.2
71.04984	1.9
79.05484	2.0
80.66221	0.2
81.07044	9.7
81.07536	0.3
83.04966	0.9
83.08578	0.2
85.02917	0.2
91.05463	3.0
93.07032	4.9
95.04958	1.6
95.08578	2.2
97.02879	3.3
97.06461	0.3
99.04443	1.0
105.07010	1.7
107.08582	10.8
109.06499	1.4
109.10146	100.0
110.10491	0.9
111.04472	0.4
111.08067	1.0
123.08044	1.3
123.11681	5.2
125.09697	0.4
133.10085	1.7
151.11147	3.1
154.07745	0.2
169.08606	0.4
169.12216	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	169.0858
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.87635	0.6
51.22315	0.5
51.90745	0.5
53.00294	1.3
53.03938	1.7
55.01859	1.6
55.05504	7.8
56.96555	3.4
57.03434	0.9
57.07061	4.4
59.04984	4.2
65.03920	1.4
67.01846	0.9
67.05494	66.0
69.03413	38.0
69.07041	5.7
71.04974	4.3
79.05473	14.9
80.79716	0.7
81.03384	4.7
81.07039	100.0
83.04954	4.0
85.06528	1.0
91.05468	10.5
93.07019	21.3
95.04952	8.4
95.08582	52.7
105.04498	1.1
105.07004	16.4
107.08574	20.7
108.05727	0.9
109.06492	8.2
109.10137	12.0
111.04465	1.0
111.08044	1.2
123.08046	35.2
123.08917	1.3
123.11681	86.3
125.09565	0.9
125.28741	0.7
133.06479	1.1
133.10143	4.9
151.03896	1.2
151.07516	46.6
151.11151	7.7
154.07690	0.8
169.08563	3.2
169.09998	1.6
169.12166	7.3
182.57370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	3,4-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
50.58435	1.1
53.00304	1.2
53.03939	1.8
55.01858	2.1
55.05503	7.4
56.96562	10.2
57.07061	2.4
59.04982	6.8
64.38040	1.1
65.03931	69.2
67.05492	29.6
69.03410	2.1
69.07052	8.1
69.90878	1.2
70.07384	6.3
71.04977	10.5
79.05489	11.2
81.03404	6.4
81.07042	45.3
81.07476	2.2
83.04975	6.9
83.08591	1.4
91.05455	10.1
92.09363	1.4
93.03387	23.0
93.07032	11.4
95.04945	17.5
95.08593	15.2
97.06527	6.7
105.07034	16.1
107.08577	28.1
108.02079	1.4
109.02870	4.7
109.06532	9.2
109.10152	16.9
110.03676	12.4
110.89668	1.3
111.04436	100.0
111.08034	1.6
121.10113	1.1
123.04410	12.9
123.08100	5.4
123.11703	17.6
125.05970	25.0
127.03922	1.6
129.60284	1.2
133.02863	9.9
133.10124	7.9
141.05467	7.1
141.07387	2.8
151.03886	26.4
151.04967	2.5
151.07588	1.4
151.11186	5.8
152.07024	1.8
163.97719	2.5
169.04955	10.6
169.07426	1.3
181.98615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01855	1.1
55.05510	7.8
56.96564	7.3
57.03434	2.0
57.07069	100.0
59.04990	7.2
65.03897	1.0
67.05496	7.9
69.03409	3.9
69.07050	9.5
71.04976	2.0
74.09611	1.0
77.65360	1.0
79.05472	17.0
80.41962	0.9
81.03368	1.4
81.07039	19.5
83.04959	8.0
83.08626	1.5
85.06532	32.7
87.19730	0.8
88.04507	1.0
91.05475	11.3
93.07031	25.3
93.07586	1.8
95.04946	8.5
95.08589	10.8
97.06506	8.3
105.07002	9.5
107.04951	1.5
107.08572	19.1
109.06496	5.6
109.10157	5.9
111.04449	1.4
111.08060	16.3
116.97222	1.4
121.01712	1.8
121.10126	20.8
123.08047	5.3
124.05198	3.8
125.05996	8.5
125.09620	4.2
131.08521	3.9
139.11177	1.5
149.09602	8.9
149.13254	2.2
167.10648	17.7
167.14264	11.5
188.15448	0.9
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	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.83104	0.8
55.80802	0.7
67.01857	6.5
67.05497	7.2
67.58820	0.7
68.99763	3.9
71.05005	0.9
79.05488	1.7
81.07028	6.5
83.04961	1.0
91.05426	1.5
93.07035	1.7
95.04958	10.4
105.07030	4.4
107.08569	4.4
109.06510	9.1
109.10113	1.7
111.04422	4.5
122.17758	0.8
123.04408	49.3
123.08071	4.4
123.11694	1.4
127.03897	9.5
140.86906	0.8
141.05429	1.5
142.32007	0.8
150.34109	0.8
151.03893	59.3
151.07533	1.4
151.11160	0.8
161.32048	0.9
169.04935	100.0
169.12079	0.9
178.03383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.64528	0.4
55.01847	1.0
55.05489	0.8
56.96526	0.6
63.08161	0.6
65.03911	1.1
67.01852	6.5
67.05495	6.3
68.99759	3.9
69.07047	0.7
69.46023	0.5
71.03629	0.5
71.04961	1.0
75.25496	0.6
76.97895	0.5
79.05461	2.5
81.07045	8.2
83.04964	1.3
85.02887	1.0
86.02847	0.5
91.05463	2.8
92.63318	0.6
93.07034	4.7
95.04939	11.3
95.08566	2.9
100.00246	0.5
105.07001	3.0
107.08581	8.5
109.06503	5.9
109.10110	2.8
111.04433	4.2
119.03376	0.5
123.04401	49.0
123.08074	1.3
123.11682	3.4
127.03883	11.4
133.10133	1.1
151.03883	58.6
151.11156	0.7
169.04927	100.0
173.36649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00319	0.5
54.81554	0.4
55.01877	0.7
55.05514	3.8
56.96563	2.4
57.07073	100.0
59.04995	0.5
61.11868	0.4
64.33140	0.4
67.05508	2.9
69.03431	0.7
69.07067	2.9
71.04993	2.0
79.05479	5.0
81.07027	4.9
83.04984	1.1
83.08620	3.7
84.96037	1.0
85.06537	32.5
88.01800	0.5
91.05479	4.6
92.08585	0.7
93.07029	14.2
95.04970	3.2
95.08600	2.7
97.06514	6.6
105.07028	3.3
107.08593	11.7
107.40107	0.5
109.06504	2.4
109.10166	3.1
111.08085	8.2
121.01662	2.1
121.10132	8.1
123.08033	0.9
123.11724	0.8
125.09635	3.1
131.08543	1.1
134.84784	0.5
139.11235	0.6
144.03290	0.8
149.09573	1.1
149.13284	1.1
156.08063	0.5
167.10686	1.0
167.14339	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03930	3.6
55.01853	0.9
55.05503	7.7
56.96563	5.4
57.03419	1.3
57.07060	2.6
59.04985	1.1
64.33167	0.9
65.03923	1.0
67.05142	1.1
67.05492	26.5
69.03423	1.3
69.07058	13.4
71.04993	2.9
79.05476	22.3
80.43337	0.6
81.03388	1.4
81.07040	59.8
83.04966	3.3
83.08608	3.1
84.96022	3.6
91.05466	20.2
91.35494	0.8
93.07026	100.0
95.04938	10.3
95.08582	10.8
97.06525	5.4
97.07039	0.7
103.00641	1.0
105.07016	8.5
107.04952	0.8
107.08579	44.5
109.06507	5.6
109.10139	1.6
111.04420	1.6
111.08070	23.3
117.58163	0.7
119.08545	0.8
121.01659	8.2
121.10131	31.2
123.08060	3.4
123.11687	50.4
125.05982	13.9
125.09574	1.1
126.70392	0.7
131.08549	3.1
139.02676	2.6
139.11087	0.7
144.03259	3.6
149.09615	3.5
149.13232	35.8
162.04297	1.0
165.73685	0.6
167.07187	0.9
167.10637	12.8
167.14270	11.7
176.19615	0.7
179.06844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.64632	0.8
53.00274	0.8
55.01859	1.2
55.05504	9.1
56.96552	10.1
57.03427	1.5
57.07070	2.0
67.05493	18.8
69.03403	3.7
69.07053	15.7
71.04978	6.7
73.06532	1.4
78.74370	1.0
79.05473	11.5
81.07040	26.1
83.04955	5.4
83.08607	4.0
85.06528	1.8
91.05458	11.0
93.07023	35.1
93.97555	0.8
95.04946	4.3
95.08587	33.2
97.06505	41.8
97.10121	0.9
105.07015	10.2
107.08578	100.0
109.06533	6.9
109.10143	37.5
111.08069	7.8
119.08566	1.1
119.31782	0.8
121.10121	47.5
123.08064	1.6
123.11682	10.1
126.53762	1.0
131.08502	1.0
149.13248	30.7
167.14301	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	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51565	0.7
53.00304	1.1
53.03924	0.9
54.81401	0.9
55.01864	1.4
55.05510	8.3
56.96559	13.9
57.03439	1.3
57.07070	100.0
59.04982	1.1
66.06274	0.8
67.05487	11.5
69.03417	4.2
69.07044	9.6
71.02667	0.8
71.04972	4.1
71.46322	0.9
79.05470	22.3
81.03393	5.4
81.07042	18.1
83.04961	5.6
83.08616	1.6
84.96008	3.4
85.02854	1.2
85.06532	33.8
91.05456	13.6
93.03397	1.0
93.07027	29.6
95.04942	7.2
95.08596	13.6
97.06506	9.3
101.55563	0.8
105.07032	10.7
107.04932	3.5
107.08582	19.0
109.06505	9.5
109.10141	3.8
111.04430	12.1
111.08075	7.0
121.01667	6.3
121.06483	1.9
121.10114	24.5
123.04391	1.0
123.08042	6.6
124.05235	3.4
125.05976	19.5
125.09612	1.4
131.08530	5.9
139.02734	1.3
144.03198	1.8
149.09613	5.6
149.13261	1.0
154.34395	0.9
167.10649	27.9
167.14333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03954	2.6
55.05507	21.6
55.79764	2.1
56.96564	15.1
62.41113	2.0
67.05489	33.7
67.06330	2.2
69.03429	2.5
69.07056	22.3
71.04987	38.4
73.06551	14.3
79.05477	33.6
79.35931	2.3
79.43380	2.4
81.07040	70.3
81.07477	4.0
83.04979	2.7
83.08604	11.3
85.06514	3.2
91.05474	15.6
93.07032	33.7
95.04932	5.0
95.08585	100.0
97.06522	4.8
99.04411	3.4
105.07033	16.5
107.08579	57.7
109.06523	11.3
109.10141	16.8
116.77614	2.8
120.04015	2.2
121.01687	2.5
121.10164	23.7
123.08014	2.9
123.11694	5.8
125.09587	4.0
131.08578	3.6
149.09607	4.1
149.13254	23.5
167.14294	3.1
179.57576	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00289	2.1
53.03939	7.8
55.01892	1.6
55.05505	27.6
56.96556	24.6
57.07065	4.2
58.24198	1.6
59.04979	10.5
64.33279	1.6
65.03933	1.7
67.05501	39.1
68.28174	1.7
69.03427	12.2
69.07060	29.9
70.79001	1.8
71.04977	41.3
73.06540	9.6
75.79269	1.7
79.05473	55.8
81.03384	2.3
81.07040	100.0
83.04974	14.3
83.08622	3.9
85.02883	2.5
91.05468	30.6
91.12715	1.9
93.07030	68.3
95.04948	57.1
95.08588	94.1
97.06506	14.8
105.07005	24.4
105.34184	1.8
105.37470	1.8
107.04946	4.4
107.08584	69.9
109.06519	27.9
109.10136	17.2
111.04387	3.2
111.08092	2.6
119.06126	2.0
119.08565	4.7
121.01656	7.8
121.06457	2.4
121.10120	54.5
121.62213	1.9
123.04385	7.7
123.08040	36.9
123.11713	3.7
124.05187	39.9
125.06000	9.5
125.09633	8.7
131.08542	18.0
138.81355	1.7
139.11212	2.1
149.06013	2.3
149.09613	15.2
149.13208	18.8
151.02672	2.2
159.56824	1.9
167.06992	13.9
167.10643	53.1
167.14301	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03930	4.5
55.01864	2.8
55.05488	11.2
56.96556	8.4
57.03413	2.6
59.04980	5.3
65.03928	2.2
67.05492	21.9
69.03402	12.2
69.07059	22.4
71.01335	3.4
71.04962	14.7
78.04678	5.3
79.05472	53.5
81.03386	2.5
81.07045	42.0
83.04955	10.9
85.02881	3.2
90.53584	2.1
91.05461	34.6
92.52402	2.3
92.64457	2.3
93.07025	86.9
95.04342	2.3
95.04949	69.9
95.08580	44.2
97.06506	21.1
99.78501	2.3
103.05420	2.5
105.07007	33.8
107.04961	3.7
107.08578	57.3
109.06509	43.8
109.10134	8.9
111.08056	4.0
116.06225	3.0
119.08558	8.9
121.01677	8.6
121.06491	2.6
121.10120	69.5
123.04408	10.6
123.08044	32.1
123.11697	4.0
124.04332	3.4
124.05188	56.9
125.05956	11.4
125.09579	13.0
129.06953	3.3
131.08539	29.1
139.02707	2.6
139.11177	4.7
149.09596	31.2
149.13274	3.6
167.06984	33.6
167.10649	100.0
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
54.07636	1.8
55.01865	4.4
55.05514	20.9
56.96564	31.6
57.03444	3.6
57.04980	2.0
57.07074	2.2
59.04995	2.9
64.33176	2.1
65.03934	2.9
67.05497	22.2
69.03424	5.0
69.07058	14.2
71.04978	27.5
79.05479	38.0
79.48254	2.1
81.03380	2.4
81.07053	34.1
83.04967	14.7
84.96010	1.9
85.02897	100.0
85.06546	10.3
91.05473	25.4
93.07037	57.4
95.04964	40.0
95.08586	27.9
97.06522	35.6
103.00580	2.2
105.07027	20.4
107.04931	3.3
107.07863	4.0
107.08588	64.2
109.06511	27.3
109.10162	3.1
109.49115	1.9
110.03218	1.8
113.06001	8.8
116.06216	1.9
119.06101	2.4
119.08594	4.2
121.01687	8.7
121.10102	31.3
123.08056	21.5
123.11704	2.8
123.26714	2.1
124.05193	43.7
125.05998	9.1
125.09624	22.2
129.07045	2.4
131.08566	10.6
139.11188	4.1
149.09604	19.0
149.13278	5.0
167.07118	2.9
167.10612	37.1
167.14291	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol
Peak:m/z	Relative Intensity
53.03933	4.7
55.01859	3.5
55.05503	3.8
55.65531	0.6
57.07060	0.7
59.04985	4.9
64.33061	0.9
65.03935	2.7
66.43965	0.6
67.05496	3.7
69.03413	6.7
69.07059	6.6
77.03891	1.2
79.05476	35.1
81.03400	0.7
81.07032	15.5
83.04961	3.3
85.06538	1.9
87.65237	0.7
91.05462	26.7
92.63866	0.8
93.07024	17.6
95.04946	13.3
95.08585	4.8
97.06525	3.8
97.89634	0.8
103.05428	1.7
105.04499	1.3
105.07006	13.8
106.07806	0.9
107.04207	1.3
107.04941	40.3
107.08569	14.2
109.06503	42.9
110.03637	9.4
111.04424	8.1
111.08075	0.9
116.06215	1.2
119.06013	3.0
119.08576	1.8
121.02839	1.1
121.06484	51.7
121.10115	30.8
122.03631	0.9
123.04422	4.6
123.08035	5.6
123.11671	1.3
125.05967	100.0
125.09615	1.0
129.06946	1.0
131.08507	6.6
135.04533	1.4
135.05508	18.5
139.03891	1.2
139.11148	4.2
141.52530	0.7
149.09593	30.6
167.03403	1.3
167.06985	1.4
167.10654	8.9
173.98010	0.8
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	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
50.18225	1.4
53.03939	4.4
55.05508	12.3
57.03419	3.0
59.04990	2.4
64.32936	1.5
65.03929	1.6
67.05487	15.0
69.03408	11.7
69.07059	10.6
71.01325	17.0
71.04975	31.1
79.05475	37.6
81.03332	1.6
81.07040	26.2
83.04967	20.8
91.05464	74.8
93.07026	100.0
95.04955	19.3
95.08595	37.1
97.06507	28.9
97.10150	2.0
105.04542	2.1
105.07022	38.5
107.04945	2.5
107.08572	57.0
109.06517	16.9
111.04453	2.3
115.05464	2.6
116.06225	20.2
117.16181	1.6
119.08533	12.6
120.39752	1.7
121.01626	1.9
121.06487	8.6
121.10124	73.1
121.10981	3.1
123.08053	44.6
124.05179	20.4
125.05972	7.1
125.09541	2.3
129.06996	10.2
131.08542	39.3
137.09583	2.3
149.09596	60.0
149.13197	5.8
167.06972	2.5
167.10637	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.40499	1.1
52.37027	1.3
53.03951	1.4
55.01873	1.6
55.05496	5.9
57.03429	2.4
65.03870	1.6
67.05476	10.6
69.03399	2.7
69.07042	2.6
71.04980	1.6
79.05480	18.7
81.07048	9.8
83.04958	2.7
89.40932	1.2
91.05457	24.0
93.07017	38.0
95.04948	6.0
95.08585	41.3
97.06467	3.0
103.05460	1.7
105.07026	18.1
107.04947	16.2
107.08569	24.1
109.06520	7.5
116.06230	1.8
119.08561	5.3
121.06476	31.2
121.10108	39.4
123.08047	100.0
125.05963	1.9
125.09579	7.0
131.08536	12.6
135.08035	18.0
139.11163	2.2
149.09586	29.0
167.10640	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
53.03926	1.8
55.01858	1.5
55.05504	3.0
56.96550	1.4
57.03418	1.7
59.04979	5.9
60.83098	1.3
67.05478	8.4
69.03400	9.0
69.07044	2.8
71.01322	2.2
71.04977	16.3
74.79819	1.6
75.42459	1.6
78.80332	1.5
79.05467	34.4
81.07034	35.0
83.04954	6.8
90.00159	1.4
91.05455	34.4
92.64129	1.4
93.07018	70.4
95.04944	11.9
95.08590	29.1
95.69300	1.5
96.99238	1.5
97.06499	20.3
105.06999	31.6
107.04972	2.5
107.07866	3.1
107.08567	61.3
108.05741	2.0
109.06544	11.6
109.10118	6.0
111.04406	1.7
116.06196	7.7
119.08549	8.3
121.06462	7.2
121.10114	100.0
123.08041	32.8
123.11699	8.0
125.05997	2.5
129.06985	3.1
129.24641	1.8
131.08546	22.0
135.05585	1.6
137.09581	2.8
139.11156	9.1
149.09593	48.7
167.10658	18.8
178.69897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
53.03924	5.6
55.01868	4.8
55.05490	17.6
56.96561	22.8
59.04971	2.7
62.31605	2.6
67.05491	29.2
69.03412	12.4
69.07044	6.4
71.01341	5.6
71.04970	33.9
79.05463	32.3
80.77236	3.2
81.07037	27.4
82.66951	3.0
83.04978	22.7
86.51807	3.0
91.05463	56.5
92.09412	3.8
93.07024	100.0
95.04954	61.3
95.08593	53.9
95.52306	5.0
97.06490	36.9
97.99162	4.6
101.20144	3.0
104.55662	2.9
105.07014	37.4
107.08565	60.8
109.06512	21.0
109.10120	4.0
111.08047	3.1
112.39422	2.8
115.05483	3.0
116.06205	15.6
119.08528	7.0
121.06473	6.8
121.10108	68.6
123.08045	77.9
124.05191	41.2
125.05935	3.3
125.09606	4.6
129.06958	7.1
131.08536	41.4
133.07571	3.0
134.79695	2.9
137.09639	4.1
139.69633	3.6
149.09586	59.8
149.10580	4.8
152.82195	2.9
167.10640	55.3
174.20750	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	167.0703
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02376	1.1
53.03927	4.7
54.04728	0.6
54.43841	0.6
54.66615	0.7
55.01855	3.7
55.05501	11.0
56.24352	0.6
56.30705	0.8
56.96549	3.1
57.03419	6.0
59.04993	1.6
64.60337	0.6
65.03913	1.3
67.05481	5.9
69.03398	4.7
69.07059	6.9
71.04977	1.1
73.02893	1.3
73.97531	0.8
75.48374	0.7
77.03859	0.7
78.04247	1.0
78.04691	20.7
79.05477	34.7
81.03395	3.6
81.07030	12.1
83.04968	7.4
83.08613	1.5
84.96001	1.0
85.02868	0.8
91.04886	1.2
91.05461	36.9
92.49090	0.7
93.03371	0.9
93.07024	52.8
95.04942	20.9
95.08593	9.3
97.02892	0.8
97.06511	3.5
98.00049	0.7
98.97549	3.8
103.00603	3.2
103.05448	3.6
105.03358	1.5
105.04506	2.7
105.07007	19.2
106.04170	9.1
107.04942	14.9
107.08575	21.4
108.79803	0.7
109.02852	0.9
109.06516	7.4
109.10139	1.3
111.04431	1.6
111.08047	0.8
114.65482	0.8
116.06224	3.6
116.98602	1.1
119.08553	4.4
121.01664	16.2
121.06470	10.6
121.10126	34.2
122.03582	1.2
123.04408	30.2
123.08049	8.2
123.11760	0.8
124.05193	10.6
125.05950	0.8
125.09601	9.5
129.06975	1.8
131.08546	17.1
134.03624	0.9
135.04355	1.0
137.05925	3.6
137.09579	3.6
139.02690	7.9
139.11128	3.7
144.03206	8.5
149.06032	1.4
149.09602	14.0
151.03873	8.2
152.04660	5.2
162.04251	3.7
167.07002	100.0
167.10617	9.3
167.14360	0.7
176.14265	0.8
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	(+/-)-Asarinol A
Peak:m/z	Relative Intensity
53.00288	1.5
53.03926	1.3
55.01860	1.8
55.05498	7.6
56.96566	1.3
57.58853	1.3
57.77238	1.3
59.04983	7.2
61.36583	1.3
66.04697	1.4
67.05500	27.0
69.03435	3.5
69.07061	10.6
70.92751	1.7
71.04973	11.1
79.05478	21.2
81.03394	1.9
81.07042	8.6
83.04968	16.9
85.06513	1.5
91.05450	10.9
93.07035	24.4
95.04950	100.0
95.08591	38.2
97.06516	16.4
97.15594	1.5
105.07024	15.1
107.04917	2.7
107.08578	15.3
109.06507	8.0
116.06305	1.6
121.06490	2.5
121.10129	28.4
123.04415	1.7
123.08052	57.4
124.05190	49.8
125.05965	10.4
125.09601	6.2
131.08575	6.9
139.11179	2.8
149.09624	6.8
167.10649	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	167.0702
Annotation	MTHPA
Peak:m/z	Relative Intensity
53.03933	9.3
55.01857	7.5
55.05498	8.0
56.96542	5.9
57.03410	4.5
59.04990	20.0
65.03915	1.9
66.21942	0.9
67.05490	7.0
69.03397	6.1
69.07038	2.2
71.04979	1.7
77.03880	1.1
78.04656	4.0
79.05473	66.8
80.65594	1.0
81.03395	6.9
81.07037	71.5
83.04958	3.9
84.96009	1.4
87.83712	0.8
88.11659	0.9
91.05465	65.5
93.07021	100.0
95.04948	18.7
95.08578	6.0
97.06509	7.3
99.04432	1.3
103.00568	1.0
103.05439	7.3
105.04472	1.9
105.07008	30.3
106.04192	1.7
106.07750	1.0
107.04430	0.8
107.04956	17.1
107.07867	1.9
107.08578	48.1
109.06500	39.3
111.04488	1.2
111.08089	1.2
115.05385	1.3
116.06217	7.0
119.08557	4.1
121.01651	15.4
121.02905	1.3
121.06477	30.2
121.10123	41.3
123.04395	10.4
123.08036	11.9
124.05178	2.3
125.05969	6.3
125.06930	1.0
125.09599	4.2
129.07008	4.6
131.08546	24.3
134.07246	4.3
137.05975	1.7
139.02672	6.4
139.03806	1.9
139.07541	2.0
139.11211	1.5
144.03247	6.6
149.02377	1.2
149.05981	6.8
149.09598	65.4
151.03905	1.8
152.04652	1.8
162.04277	2.0
167.06996	75.0
167.10594	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
52.07685	1.3
53.00297	2.0
53.03939	1.9
54.25415	1.1
55.05512	15.9
56.96554	1.4
57.07060	2.3
59.00297	1.4
61.55508	1.2
65.03937	1.2
67.05496	18.7
67.45664	1.1
69.03417	63.4
69.06718	2.5
69.07059	47.5
71.04974	7.1
79.05476	36.0
81.07040	100.0
83.04961	6.0
91.05457	20.1
93.07024	12.9
93.74892	1.3
95.04966	9.5
95.08595	42.6
97.06509	7.1
101.00868	2.3
105.07025	33.3
105.31330	1.2
107.08578	59.1
109.06496	23.1
109.10143	5.8
110.07311	11.2
111.08070	5.3
117.06961	1.6
119.01909	22.2
119.08569	20.1
121.10143	17.1
123.08047	18.6
123.11688	8.3
124.08823	7.7
137.02924	5.2
137.09605	2.2
137.13237	7.5
142.03503	7.5
147.07982	1.6
147.11684	22.3
163.06862	1.6
165.12709	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.00297	7.5
53.03931	2.2
55.05507	16.3
65.03935	2.1
67.05495	18.0
69.03420	96.7
69.07058	80.4
69.58660	1.4
70.77409	1.7
71.04990	17.4
79.05055	3.1
79.05475	44.0
81.07043	100.0
83.04924	1.9
89.06714	1.6
90.27242	1.7
91.05470	21.0
93.07005	14.9
95.04940	11.7
95.08595	52.2
97.06501	9.7
105.07020	44.9
105.07693	2.4
107.08580	59.4
109.06537	18.8
109.10156	4.0
110.07320	2.0
111.08041	3.5
118.50727	1.7
119.08562	31.2
121.10148	20.8
123.08029	22.4
123.11684	8.8
137.13252	3.1
137.79411	1.8
147.08052	1.5
147.11674	31.8
165.12704	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	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
55.93626	0.1
58.05964	0.1
79.05475	1.1
91.05464	1.0
93.07036	2.4
95.04937	0.3
103.05453	11.6
107.04953	2.1
113.98100	0.1
120.08086	100.0
131.04898	2.1
149.06007	0.8
156.58125	0.2
166.08623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.61182	0.2
53.03936	0.8
55.05504	0.5
65.03915	0.8
66.04702	1.3
67.05479	1.5
69.03417	0.8
70.83588	0.3
78.04247	0.7
78.04695	17.3
79.05059	0.4
79.05482	6.7
81.03399	0.7
81.07041	7.8
83.04952	0.6
91.05459	1.7
92.02641	0.4
93.03374	0.7
93.07020	2.9
94.04163	1.7
95.04946	5.5
95.08563	0.7
96.05719	1.7
97.06502	0.4
105.03352	1.2
105.04475	0.3
105.07048	1.1
106.04159	7.8
107.04930	2.1
107.08592	3.1
109.02864	1.8
109.06482	1.6
111.04440	1.4
120.02084	0.5
121.01598	0.5
121.10101	2.9
122.03620	2.3
123.04410	34.1
123.08035	0.5
123.11656	0.3
124.05201	10.1
125.05987	0.5
131.08568	0.5
134.03661	2.6
135.04417	1.3
137.02299	0.7
137.05975	0.8
149.02310	0.4
149.09619	0.8
151.03899	7.0
152.04681	6.0
158.77083	0.3
167.07007	100.0
167.10730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72249	0.9
53.03931	2.0
55.01857	1.2
55.05505	12.2
57.03411	0.8
67.05492	15.2
67.07694	0.9
69.03395	2.0
69.07052	35.9
71.04955	4.6
79.05058	1.4
79.05476	28.2
79.90047	0.8
81.03378	1.0
81.07038	83.2
81.64899	0.8
83.04947	4.1
91.05464	27.1
93.07024	37.7
95.04937	6.0
95.08582	22.7
97.06501	10.9
101.00867	1.5
103.05412	0.9
105.07015	37.2
107.08582	10.8
109.06500	20.1
109.10146	3.9
117.06979	4.6
119.01904	7.2
119.08559	68.2
121.10119	44.4
121.10985	1.7
123.08057	13.1
123.11704	8.8
135.11646	3.4
137.02936	1.9
137.09610	3.4
137.13232	4.4
142.03439	3.6
147.07994	1.7
147.11671	15.9
158.42781	1.0
165.09097	1.6
165.12720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
55.05511	11.4
55.27564	1.2
57.03428	1.4
57.07070	11.2
59.04994	14.2
60.45016	1.2
67.05495	26.7
69.03434	2.1
69.07064	18.0
71.04969	1.7
77.07376	1.5
79.05489	15.9
81.07046	46.7
83.04975	2.6
91.05473	11.2
93.07021	12.6
95.04947	6.5
95.08588	78.4
101.00880	2.7
105.07024	35.0
107.04941	3.0
107.08575	23.4
109.06491	14.5
109.10149	15.9
110.07361	1.7
117.06948	1.6
119.01882	19.7
119.08591	19.0
121.06484	2.2
121.10101	8.5
123.08051	34.2
123.11697	7.5
137.03003	2.9
137.09599	7.3
137.13239	17.0
142.03519	8.3
147.11667	16.0
160.04523	1.6
165.09030	3.8
165.12737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
55.05500	4.3
56.26083	0.9
56.96555	2.5
57.03419	1.3
58.43090	0.9
59.88241	0.8
66.91660	1.0
67.05492	10.1
69.03411	2.1
69.07053	6.3
71.04966	1.9
76.79513	0.9
79.05484	15.8
81.07043	15.1
83.04961	1.3
83.94891	0.9
91.05462	14.3
93.07006	10.3
95.04920	2.2
95.08591	17.3
101.00841	4.2
105.07013	23.0
107.04931	1.3
107.08585	61.8
109.06511	7.9
109.10139	8.8
119.01903	21.2
119.06020	1.2
119.08575	10.3
121.06496	1.3
121.10134	12.4
122.07294	11.7
123.08018	8.4
123.11697	4.3
137.02950	6.0
137.09595	100.0
142.03477	9.9
147.11690	13.5
149.25035	1.1
160.04503	5.3
165.09068	1.6
165.12761	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03941	9.5
55.01847	7.2
55.05505	100.0
58.35266	5.0
58.92295	4.5
59.04977	10.9
59.11222	4.9
65.08609	5.1
67.05491	43.8
69.03410	9.3
69.07042	13.3
71.04961	9.1
79.05466	44.6
81.07038	99.6
82.03794	6.1
87.25382	5.3
91.05456	45.6
93.07030	83.2
95.04945	27.8
95.08590	66.6
102.05260	6.1
105.07014	51.8
107.08580	35.3
109.06503	30.2
109.10139	13.1
119.01907	34.2
119.08548	36.9
123.08059	42.6
123.11685	6.1
137.02858	6.6
142.03496	9.7
147.11668	11.7
165.09085	7.8
165.12694	61.2
181.02763	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	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.00439	0.6
53.03946	1.1
55.05507	6.8
55.64069	0.7
57.03389	0.9
57.07061	1.1
58.12679	0.7
67.05501	9.1
67.40901	0.6
68.00239	0.7
69.03417	4.1
69.07041	5.4
71.04975	3.4
73.66713	0.8
76.26157	0.7
79.05479	15.9
81.07043	50.0
83.04945	1.5
91.05465	11.7
93.07025	41.9
95.04916	4.3
95.08592	15.1
101.00847	5.3
105.07017	64.2
107.08588	17.7
109.06522	6.3
109.10119	1.4
119.01904	26.3
119.08565	23.9
121.10127	100.0
123.08023	5.4
123.11684	14.8
137.02933	8.4
137.13242	2.0
138.18114	0.8
142.03482	15.7
147.10608	1.7
147.11682	32.7
156.95726	0.8
160.04544	6.4
165.12723	20.4
165.62032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05505	8.0
57.03418	1.6
65.03930	1.1
66.11150	0.7
67.05487	5.2
69.03398	3.8
69.07039	3.8
69.49220	0.8
71.04983	0.8
79.05050	1.2
79.05476	19.8
81.07040	26.1
83.04961	1.2
91.05451	15.4
93.07018	18.1
95.04929	3.9
95.08588	17.2
96.65338	0.8
101.00855	1.2
105.07012	100.0
107.07866	1.7
107.08581	43.9
109.06507	8.8
109.10108	1.2
112.03358	0.8
117.06974	1.9
119.01897	11.0
119.07710	1.8
119.08559	46.6
121.10117	25.1
123.08075	9.3
123.11678	1.1
137.02948	1.5
142.03481	5.6
145.10109	3.2
147.11670	52.2
160.04515	1.6
165.12717	37.1
179.03760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.72249	0.9
53.03931	2.0
55.01857	1.2
55.05505	12.2
57.03411	0.8
67.05492	15.2
67.07694	0.9
69.03395	2.0
69.07052	35.9
71.04955	4.6
79.05058	1.4
79.05476	28.2
79.90047	0.8
81.03378	1.0
81.07038	83.2
81.64899	0.8
83.04947	4.1
91.05464	27.1
93.07024	37.7
95.04937	6.0
95.08582	22.7
97.06501	10.9
101.00867	1.5
103.05412	0.9
105.07015	37.2
107.08582	10.8
109.06500	20.1
109.10146	3.9
117.06979	4.6
119.01904	7.2
119.08559	68.2
121.10119	44.4
121.10985	1.7
123.08057	13.1
123.11704	8.8
135.11646	3.4
137.02936	1.9
137.09610	3.4
137.13232	4.4
142.03439	3.6
147.07994	1.7
147.11671	15.9
158.42781	1.0
165.09097	1.6
165.12720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.00304	1.9
53.03955	2.2
53.45657	1.5
55.05505	15.1
62.55226	1.7
63.13335	1.4
65.03950	1.6
67.05500	17.2
69.03421	100.0
69.07059	78.2
69.74421	1.8
71.04993	13.9
74.64983	1.5
75.99897	1.4
76.23003	1.5
79.05486	42.2
81.07041	84.9
83.04962	2.0
91.05493	16.4
92.09212	1.9
93.07024	18.4
95.04948	7.5
95.08000	2.8
95.08591	35.5
97.06519	9.5
105.01054	1.6
105.07017	39.0
107.08584	55.5
109.06519	11.5
110.07297	9.1
117.06970	2.3
119.01870	2.5
119.08560	19.9
121.10122	38.5
123.08050	16.9
123.11677	6.0
136.18643	1.7
139.90875	1.7
147.11662	18.0
165.12729	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.00296	2.7
53.03934	2.7
55.05511	14.6
57.07051	1.3
66.32160	1.0
66.95267	1.1
67.05479	12.4
69.03419	100.0
69.07059	71.0
71.04977	14.6
71.43205	1.2
79.05476	32.9
81.07042	80.1
83.04962	1.4
91.05457	13.8
92.08672	1.4
93.07011	9.9
95.04949	7.8
95.08587	42.7
97.06505	6.8
105.07022	29.4
107.08584	50.6
109.06498	13.0
109.10114	1.3
110.07257	6.9
111.08053	2.0
116.03076	1.4
119.01859	2.8
119.08551	19.6
121.10114	15.2
123.08057	18.4
123.11681	2.6
124.08838	1.7
130.76875	1.5
137.09592	2.8
137.13266	2.6
139.55338	1.6
147.11656	13.9
165.12708	12.9
175.21983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.12829	2.1
53.00282	2.3
53.03933	2.8
55.05510	12.6
55.78384	1.8
56.96548	4.3
57.07071	2.5
67.05492	20.8
69.03419	100.0
69.07059	75.9
71.04982	13.9
79.05475	43.2
81.03415	2.6
81.07042	85.7
91.05471	25.0
93.07028	17.2
95.04965	8.5
95.08589	44.4
97.06498	4.2
101.00877	8.8
105.07013	36.5
107.08579	44.1
109.06521	13.3
110.07301	4.7
119.01895	36.6
119.08575	29.4
121.10148	20.7
123.08040	26.8
123.11692	22.4
137.02966	9.8
137.09653	2.9
142.03485	22.1
147.07999	3.5
147.11713	16.4
160.04561	3.0
165.09090	11.4
165.12726	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	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
52.23677	1.3
55.01862	3.4
55.05504	13.2
57.03420	2.2
67.05492	6.9
69.03404	6.8
69.07050	2.3
71.04932	2.2
79.05457	16.1
81.07039	28.6
83.04956	7.3
91.05451	15.9
91.76789	1.7
93.07008	22.4
95.04966	2.6
95.08562	16.9
105.07007	100.0
107.08569	23.0
109.06509	11.1
109.10149	1.7
119.08554	66.4
121.10131	24.2
123.08044	8.7
123.11644	2.3
145.10054	3.4
147.11661	90.5
158.60339	2.1
165.12730	35.0
170.51190	1.6
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	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
52.71540	0.8
53.03930	1.9
54.81689	1.1
55.01855	5.0
55.05502	6.0
57.03423	1.9
61.43933	0.8
65.03918	1.4
67.05493	14.3
69.03408	5.5
69.07067	1.1
79.05476	19.3
81.03407	2.3
81.07038	8.3
85.96502	1.0
91.05462	96.7
93.07023	47.9
95.04938	8.0
95.08582	9.1
97.06506	3.7
101.00826	7.1
102.58727	1.0
103.05457	4.7
104.06248	1.7
105.04460	1.4
105.07009	13.7
107.04938	2.1
109.06500	2.4
109.10143	10.9
111.04433	1.8
117.06997	15.5
119.01901	39.7
119.04920	45.5
119.08559	100.0
121.06489	3.9
121.10110	2.3
123.04387	5.1
123.08051	6.2
125.05958	1.6
129.06985	4.9
131.04897	0.9
132.05644	1.2
133.06427	2.0
133.35254	1.3
137.02945	15.5
137.05913	4.6
137.09583	6.5
142.03473	20.5
147.04391	68.6
147.08028	34.8
160.04550	10.2
165.05447	1.3
165.09084	12.9
171.44592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
50.16758	0.8
53.03931	5.4
53.60650	0.8
55.01870	2.2
55.05495	2.3
56.96553	5.9
57.03424	1.7
63.12149	1.2
67.05502	8.8
69.03430	9.7
69.07055	5.8
73.02889	4.3
76.04096	1.2
79.05476	49.1
81.03400	2.0
81.07032	6.2
83.04955	1.5
85.02878	2.2
85.26295	1.0
87.03300	0.9
87.32466	1.0
91.05468	60.0
93.07027	100.0
95.04953	22.2
95.08590	6.7
97.06516	18.3
98.97564	6.7
101.00865	10.6
103.05467	2.4
104.06226	1.6
105.03412	7.1
105.04501	3.5
105.07020	19.8
107.04943	2.0
107.08572	4.3
109.06531	4.5
109.10137	4.9
110.03080	1.2
114.36850	1.0
116.98605	3.9
117.06994	5.0
119.01906	78.1
119.04929	28.5
119.08566	55.3
120.01991	1.3
120.08098	1.0
121.06485	1.5
121.10102	4.0
123.04401	21.1
123.08027	5.8
123.11693	1.2
131.05374	1.2
133.06453	5.5
134.99695	1.2
137.02936	30.9
137.05966	22.2
137.09569	8.3
142.03484	38.6
147.04382	17.8
147.08047	13.8
147.11642	2.1
160.04527	16.2
165.05374	1.7
165.09093	15.0
165.12740	4.3
169.93918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03942	4.6
55.01848	3.2
55.05507	14.3
56.96561	10.8
57.03425	3.5
61.11144	1.6
65.03931	3.8
67.05497	46.1
67.90066	1.8
69.03425	28.4
69.07050	7.9
71.04976	2.8
79.05478	54.5
81.03396	2.2
81.07039	50.9
83.04980	4.7
85.02863	1.8
89.97146	1.8
91.05460	46.5
92.08791	2.2
93.07025	48.4
95.04938	33.2
95.08590	34.1
101.00878	12.0
103.05454	8.1
105.07017	100.0
107.04962	13.6
107.08587	30.3
109.06501	16.2
109.10132	39.5
117.06999	3.2
119.01907	70.0
119.04943	3.8
119.08568	53.1
121.06481	2.5
121.10112	66.8
122.07265	3.0
123.04443	8.9
123.08019	21.7
123.11693	10.8
131.05415	2.5
132.05759	2.2
133.06480	39.7
137.02937	23.5
137.05959	45.1
137.09589	26.2
137.13263	2.7
142.03499	32.3
147.04408	9.1
147.08026	11.6
147.11667	30.3
149.07985	1.8
150.08766	15.6
156.31940	1.9
160.04527	15.3
165.09155	27.5
165.11043	55.9
165.12746	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	165.091
Annotation	4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Peak:m/z	Relative Intensity
53.03928	6.2
55.01852	3.2
55.05503	9.6
56.96547	5.4
65.03922	2.4
67.05493	41.0
69.03401	8.3
69.07050	2.3
71.04961	2.0
79.05474	46.3
79.06172	1.3
79.86783	1.1
81.03409	1.6
81.06590	2.0
81.07040	33.2
83.04964	2.3
91.05463	30.5
93.06490	2.0
93.07024	43.1
95.04948	26.8
95.08579	18.8
101.00854	2.1
103.05441	7.9
105.07011	100.0
107.04944	12.1
107.08565	11.0
108.71645	1.3
109.06487	10.0
109.09399	2.4
109.10136	37.3
117.06986	3.0
119.01903	19.1
119.04927	9.0
119.08563	28.9
121.06537	1.9
121.10121	61.9
121.78014	1.2
122.03610	2.5
123.04386	7.1
123.08035	9.1
123.11669	5.7
133.06459	38.0
137.02916	8.6
137.05959	47.9
137.09590	19.0
142.03471	8.9
147.04378	8.9
147.08022	5.8
147.11658	14.9
160.04515	2.7
165.09079	22.6
165.10385	1.7
165.11212	1.9
165.12671	9.7
168.59685	1.5
176.32175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81654	0.3
58.98426	0.2
61.14899	0.2
62.75357	0.2
69.79515	0.2
82.99820	1.9
83.11396	0.3
91.86573	0.3
100.02490	0.5
101.00859	28.7
103.47236	0.3
119.01900	100.0
121.02370	0.4
124.02426	2.5
137.02936	27.3
142.03482	45.4
160.04521	16.5
160.05855	0.5
175.69926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46464	0.3
54.81440	0.3
82.99844	1.6
85.52074	0.3
100.02469	0.5
101.00861	22.7
101.02564	0.8
110.28561	0.3
119.01900	100.0
121.33816	0.4
124.02433	2.5
137.02937	30.4
142.03485	52.6
142.28291	0.3
143.03795	0.4
160.04543	17.7
165.05118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.82132	0.3
57.38179	0.3
65.03922	2.0
73.30672	0.3
73.71451	0.4
87.96146	0.3
91.05460	33.3
92.08800	0.6
93.07018	0.5
95.04941	1.6
98.05093	0.4
101.90553	0.4
119.01955	3.2
119.04919	65.2
123.04393	1.6
126.70812	0.4
136.28873	0.4
137.02956	0.7
142.03456	2.2
147.04387	100.0
165.05516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03932	0.9
54.82309	0.6
55.01844	0.6
55.05498	4.0
56.82633	0.4
57.03419	0.5
65.03922	1.2
67.05499	4.2
67.05799	0.4
69.03405	2.1
69.07043	3.1
71.04957	0.5
79.05469	6.6
81.07035	14.6
83.04956	1.9
85.02881	0.6
91.05457	35.9
92.09240	0.6
93.07024	6.4
95.04940	4.6
95.08585	3.4
101.00850	2.9
103.05442	0.8
105.07001	6.2
107.08595	3.6
108.30226	0.7
109.06502	3.1
109.10139	1.0
117.06962	0.5
119.01903	12.1
119.04914	62.5
119.08555	10.4
121.10081	4.3
123.04382	2.8
123.08035	1.2
123.11679	0.7
133.05534	0.7
134.10596	0.6
137.02928	4.6
137.09570	2.1
142.03465	6.2
147.04382	100.0
147.08058	2.7
147.11678	3.5
160.04526	3.1
165.05424	1.9
165.09073	2.4
165.12697	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02365	0.6
53.03933	3.1
55.01863	2.7
55.05510	7.4
57.03431	1.0
57.07074	5.1
67.05484	5.5
67.23965	0.5
69.03429	5.4
69.07055	8.4
71.04990	0.9
72.04488	0.6
74.78219	0.5
79.05476	38.6
81.03408	2.9
81.07040	59.8
83.04980	4.1
83.08614	2.6
89.06017	2.8
91.05465	22.0
93.07026	36.9
95.04946	26.5
95.08586	16.3
100.02464	1.2
101.09592	0.7
103.05447	2.6
105.04532	0.7
105.07012	21.4
107.04954	2.8
107.08579	100.0
108.05765	0.6
109.06522	3.9
109.10159	1.3
115.05435	1.4
117.06989	8.5
118.03506	1.3
119.06042	0.9
119.08563	8.5
121.06483	9.5
121.10108	15.2
123.08048	0.7
129.07008	1.0
130.07765	8.1
133.02843	1.3
133.10143	1.3
135.04401	3.1
135.08040	3.9
135.11684	9.8
138.44353	0.6
143.08589	1.1
145.06535	0.8
145.10106	23.2
147.86198	0.6
156.44377	0.5
163.03860	5.3
163.09819	1.0
163.11151	19.2
163.14796	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	163.1481
Annotation	(+)-Isoclavukerin A
Peak:m/z	Relative Intensity
53.03939	1.3
54.35127	1.0
55.05510	8.9
56.59996	1.0
57.07054	1.0
67.05484	2.5
69.03432	1.4
69.07057	27.7
77.70740	0.9
79.05474	12.9
81.07037	20.9
83.08597	1.5
91.05473	11.3
93.07030	36.3
95.04955	13.6
95.08591	20.9
98.79189	1.0
105.07021	8.4
107.04930	1.3
107.07864	2.3
107.08582	54.3
117.07020	1.4
119.08525	6.9
121.06473	3.8
121.10126	20.4
135.11700	13.6
145.10110	6.6
154.97176	1.2
156.88693	1.2
163.03879	1.6
163.11122	10.3
163.14793	100.0
173.42082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.88160	1.6
55.01839	2.4
55.05503	12.7
55.39942	1.4
57.07054	7.7
65.03918	2.0
67.05495	13.0
69.03407	10.9
69.07052	13.5
69.07354	1.6
71.04974	3.9
79.05056	3.0
79.05474	42.3
81.03402	4.2
81.07041	60.1
83.04971	2.1
83.08588	2.5
89.06011	3.4
91.05470	26.6
93.07025	68.1
95.04948	80.6
95.08601	18.6
103.05475	2.5
105.07018	40.9
107.04958	13.0
107.07867	3.6
107.08577	100.0
115.05408	3.4
117.07015	19.3
119.08566	24.4
121.06501	21.5
121.10134	28.3
129.06993	3.1
130.07732	11.5
135.04362	3.5
135.08029	4.4
135.11652	14.4
143.08528	1.9
145.10120	34.7
163.03838	13.5
163.11151	47.7
163.14786	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.107
Annotation	Dihydroabikoviromycin
Peak:m/z	Relative Intensity
54.81899	0.1
69.44678	0.1
77.89097	0.1
79.05499	0.2
85.21909	0.1
93.07033	0.2
95.04922	0.2
95.51044	0.1
100.02442	0.4
105.07045	0.2
106.06567	0.3
107.07335	0.8
107.08584	0.2
117.95636	0.1
119.01910	0.9
122.09645	2.0
123.72351	0.2
134.05997	0.8
148.07559	12.3
149.08345	33.8
150.08762	0.2
152.75792	0.1
153.04198	0.2
164.10683	100.0
165.10994	0.9
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	Unknow
Peak:m/z	Relative Intensity
50.72198	0.4
53.03939	1.1
55.05506	6.8
56.96556	1.1
57.07059	2.6
67.05497	5.0
67.90409	0.5
69.03421	1.0
69.07056	17.9
70.70233	0.6
71.08605	0.8
79.05480	30.5
81.07043	39.3
83.08605	3.0
91.05461	14.7
92.06243	0.6
93.07025	34.5
95.04945	9.8
95.08592	14.7
100.02449	1.4
103.05477	0.7
105.07021	12.7
107.04949	1.3
107.08583	100.0
109.06493	4.3
117.07018	2.3
118.03526	1.1
119.06062	1.1
119.08571	5.4
121.06465	2.8
121.10123	16.7
122.49717	0.6
135.11690	6.8
145.10104	5.6
156.76299	0.6
163.03891	2.3
163.11176	8.0
163.14799	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.18692	0.7
53.03932	2.1
54.82299	0.9
55.01853	1.0
55.05499	6.0
57.03461	1.4
57.07061	3.4
57.97696	0.7
61.02908	0.9
62.28152	0.7
65.03925	1.6
67.05484	1.1
69.03414	5.3
69.07052	1.5
70.30942	0.8
73.02901	1.6
79.05467	14.4
81.03410	1.4
81.07040	3.6
82.64413	0.8
85.02915	5.1
89.06001	0.9
91.05458	22.5
93.07024	52.0
93.15889	1.0
95.04951	10.3
95.08583	1.3
103.03903	1.1
103.05452	9.5
105.04469	1.4
105.07011	19.5
107.08574	92.8
109.06506	6.9
110.77177	0.9
115.05410	1.1
116.19321	1.0
117.07012	5.2
119.06048	1.5
119.08529	11.9
120.09392	2.0
121.06461	1.9
121.10105	13.0
130.07756	1.9
130.33064	1.0
131.04843	7.5
135.08031	3.5
135.11670	100.0
144.76839	0.9
145.10083	5.0
163.03789	1.1
163.07524	2.1
163.11130	16.2
182.14011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01850	1.3
55.05511	15.3
56.76106	0.6
57.07064	3.2
57.55719	0.7
59.01962	0.7
64.86956	0.6
67.05493	12.7
69.03417	1.1
69.06722	0.8
69.07061	18.2
71.04971	0.9
71.85928	0.7
79.05473	36.3
81.03405	0.7
81.07041	55.2
83.08605	13.6
91.05469	15.5
93.07024	46.2
95.04948	15.9
95.08589	54.2
105.07014	15.5
107.04942	1.6
107.08581	100.0
109.06499	3.9
109.10133	1.7
117.07001	3.5
119.08547	5.4
119.53268	0.8
119.54140	0.8
121.06475	1.6
121.10133	25.6
130.07809	1.0
135.08018	1.0
135.11681	13.6
145.10135	6.2
151.23021	0.9
161.29506	0.7
163.03941	1.7
163.11179	9.0
163.14801	64.7
183.58382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03928	1.0
55.01860	1.1
55.05508	9.5
56.35067	0.6
57.07051	3.0
58.20552	0.6
67.05487	4.9
69.03393	2.5
69.06727	0.7
69.07058	18.3
69.09909	0.6
77.19985	0.6
79.05481	30.3
79.48053	0.6
81.03388	0.7
81.07042	33.1
82.38951	0.6
83.08601	4.0
91.05464	16.6
93.07024	33.9
95.04956	17.8
95.08596	17.3
96.49657	0.7
98.40559	0.6
103.05442	0.6
105.04474	0.8
105.07018	12.5
107.04929	1.3
107.08582	100.0
109.06535	5.1
117.06990	2.6
119.06065	1.1
119.08570	4.6
121.06490	4.9
121.09262	0.8
121.10126	20.8
130.07787	2.9
133.10156	0.7
135.08081	1.3
135.11661	9.9
145.10143	7.0
163.03831	3.4
163.11177	9.6
163.14790	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62999	1.4
52.95770	1.1
53.03931	3.2
55.01860	3.7
55.05502	10.4
56.89291	1.3
57.07051	2.3
60.00142	1.4
61.60508	1.3
63.47194	1.3
67.05483	12.8
69.03415	11.2
69.07043	9.1
70.25478	1.3
71.04962	8.2
79.05472	31.0
79.77932	1.2
81.03398	22.3
81.07036	22.7
81.35372	1.5
83.04948	6.5
91.05462	41.0
93.07021	63.4
95.04948	100.0
95.08578	1.9
96.99812	1.3
103.05461	6.3
104.81605	1.5
105.07016	35.5
107.04937	19.1
107.08580	39.0
109.06490	2.5
115.05415	3.2
116.06185	1.9
116.77396	1.5
117.07003	24.7
119.08566	42.1
121.06480	24.2
121.10127	12.6
129.06892	2.1
130.07782	14.0
130.37024	1.6
133.10013	1.5
134.07283	2.0
135.08035	8.4
135.11665	18.5
143.08557	2.3
145.10086	37.5
159.71600	1.3
163.03897	2.5
163.11154	58.7
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	Unknow
Peak:m/z	Relative Intensity
52.85294	1.5
53.03934	3.8
55.01860	3.8
55.05508	13.4
55.05722	1.6
67.05483	7.8
69.03414	26.0
69.07037	7.7
79.05476	35.1
81.07038	24.3
91.05466	33.3
93.07026	100.0
95.04952	25.2
95.08569	9.4
103.05467	3.2
103.98463	2.4
105.07029	48.9
107.08586	91.4
109.06462	3.9
117.07021	13.3
119.08566	16.4
121.06484	2.6
121.09308	2.9
121.10114	17.3
130.07726	3.6
135.08064	3.1
135.11681	34.9
145.10107	24.1
163.11151	53.4
163.14832	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.15636	1.0
53.03931	2.0
55.01860	5.9
55.05509	14.3
57.07063	6.3
67.05495	10.8
67.72005	1.3
69.03417	32.5
69.07052	8.1
71.04994	4.8
72.03941	1.2
75.96442	1.2
77.03905	1.3
77.06306	1.2
79.05479	38.6
80.88548	1.2
81.03400	6.9
81.07040	40.5
83.04956	1.9
85.02888	2.0
89.05998	1.5
90.97939	1.2
91.05466	31.8
92.64055	1.3
93.07027	100.0
95.04948	77.4
95.08578	3.1
103.05459	3.1
105.04505	2.1
105.07023	56.5
107.04945	5.7
107.08583	94.2
109.06512	3.2
115.05459	2.0
117.07007	17.8
117.83518	1.5
119.06087	1.5
119.08549	26.4
121.06507	13.8
121.10136	24.5
125.60075	1.2
130.07768	10.1
133.02805	2.3
135.04402	2.7
135.08034	8.7
135.11673	28.1
143.08530	2.5
145.10114	34.1
163.03865	14.3
163.07597	1.6
163.11156	52.3
163.14853	11.2
179.79683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80236	0.7
53.03933	4.9
55.01866	1.2
55.05510	5.2
57.03408	1.0
57.07074	1.1
58.46831	0.7
58.56850	0.7
65.03943	0.8
66.38728	0.7
67.05504	5.1
69.03429	9.2
69.07048	4.3
71.04982	4.3
77.03914	1.1
77.39216	0.9
79.05480	16.6
81.03405	7.3
81.07044	15.9
83.04989	0.9
90.04692	0.7
91.05460	18.2
92.08974	1.7
93.07027	34.6
95.04951	100.0
95.08591	1.2
103.05462	1.8
105.03419	1.2
105.04482	2.1
105.07017	20.7
107.04945	6.7
107.08586	23.2
109.06485	1.4
115.05464	1.2
117.07011	11.5
119.08565	20.1
121.06488	8.2
121.10136	8.1
128.06224	0.9
129.06993	0.9
130.07784	10.1
133.02829	9.7
133.10199	0.9
135.04407	10.5
135.08038	5.1
135.11700	10.1
143.08566	1.6
145.10114	25.9
163.03882	36.0
163.07509	1.9
163.11177	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14698	1.4
53.03926	3.0
55.01853	3.6
55.05512	12.4
57.07055	2.0
67.05491	3.1
69.03416	36.3
69.07053	4.4
76.32023	1.6
76.60855	1.7
79.05466	29.3
80.52113	1.6
81.07035	9.4
89.65189	1.6
91.05457	33.5
93.07021	100.0
95.04936	21.2
95.08568	3.3
99.09785	1.9
105.04507	2.0
105.06361	3.6
105.07006	49.0
107.08576	77.9
109.06487	2.2
117.07008	9.8
119.08553	19.4
121.06487	9.4
121.10123	19.1
126.19212	1.9
129.27353	1.7
129.44339	1.7
130.07771	7.9
133.02852	1.9
135.07985	2.9
135.11659	37.4
137.64246	1.9
145.10097	31.1
149.21062	2.1
163.03822	3.8
163.11150	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03940	2.7
54.04219	1.2
55.01874	3.3
55.05503	10.1
57.07065	3.4
64.33136	1.3
64.96626	1.3
67.04887	1.6
67.05493	11.6
68.41259	1.4
69.03422	17.6
69.07053	7.9
71.04974	2.8
74.23211	1.5
78.69977	1.6
79.05479	31.9
81.03394	8.7
81.07048	14.5
83.04948	2.2
91.05464	43.6
93.07030	76.5
95.04955	100.0
95.08582	2.7
103.05462	3.8
105.07024	46.8
107.04962	11.4
107.08582	52.9
109.06488	2.3
115.05449	2.2
117.07010	26.0
119.08568	46.4
121.06485	66.1
121.10131	17.6
123.26716	1.5
128.06206	3.2
130.07777	15.9
133.10085	1.9
135.08043	8.4
135.11702	17.9
143.08554	2.2
145.10121	52.0
163.03838	1.9
163.11168	64.2
163.14757	3.0
180.85710	1.7
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
50.53466	2.6
53.03937	2.7
55.01857	16.4
55.05506	12.5
56.51099	2.6
56.96550	4.2
57.07074	6.2
61.06349	2.4
64.33388	2.4
65.03923	3.3
67.05484	14.5
69.03407	23.0
69.07045	6.0
69.67862	2.3
71.04972	5.2
79.05482	37.4
81.07040	22.5
83.04952	6.2
91.05467	54.0
92.08753	3.8
92.09266	3.1
93.07027	100.0
95.04953	54.2
103.05448	15.1
105.06364	4.2
105.07020	81.3
107.04922	13.4
107.08585	58.9
109.06482	4.0
115.05366	2.7
117.07004	26.8
119.08571	64.1
121.06493	64.1
121.10139	26.6
127.28836	3.3
130.07777	17.7
131.04889	4.2
133.10094	3.8
135.08011	4.5
135.11685	28.8
143.08591	4.8
145.10118	69.5
163.11140	83.3
163.14828	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
54.81384	1.0
55.01863	1.6
55.05497	4.5
57.03408	1.0
59.94766	0.8
63.02061	0.8
65.03914	1.2
67.05492	8.6
67.05788	0.9
69.03425	8.5
69.07043	4.5
71.04958	5.3
79.05476	19.5
81.03398	7.7
81.07041	15.0
83.05003	1.6
91.04887	1.1
91.05463	24.5
92.02617	1.4
93.06423	1.0
93.07025	41.7
95.04948	100.0
95.08583	2.0
98.62010	1.0
103.05439	4.2
105.04507	2.0
105.07017	25.0
107.04929	6.4
107.08577	33.5
109.06487	2.1
115.05426	2.0
117.06994	14.3
119.08569	26.6
121.06475	9.6
121.10118	9.1
129.06966	1.8
130.07750	10.4
133.02823	7.0
133.10075	1.4
135.04398	6.8
135.08075	6.5
135.11710	10.2
143.08563	2.2
145.10110	31.2
159.16582	0.9
163.03893	22.6
163.07625	0.9
163.11156	35.3
163.14790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41448	0.8
53.03934	1.5
55.01863	4.2
55.05510	7.5
57.03431	1.7
57.07067	1.5
59.68908	0.9
61.02888	1.1
65.03909	1.0
67.05490	7.2
69.03412	15.2
69.07056	4.1
71.04973	11.9
73.85304	1.0
79.05053	1.4
79.05476	22.9
81.03400	14.2
81.07044	15.7
81.67088	0.9
83.04976	2.3
85.02883	5.1
91.05463	28.8
93.07025	54.1
95.04949	100.0
95.08571	2.0
99.67329	1.1
103.05447	17.4
105.04475	1.1
105.07014	31.6
107.04949	10.6
107.08582	31.7
109.06516	4.3
110.63773	1.0
115.05432	4.2
117.07003	20.8
119.08566	32.9
121.06460	12.0
121.10123	15.4
128.06255	1.1
130.07742	11.8
131.04913	10.3
135.08028	8.9
135.11688	10.4
143.08533	2.1
145.10100	38.7
148.08838	1.0
163.03946	1.5
163.07484	2.1
163.11157	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03938	1.6
55.05489	4.6
57.03414	2.4
62.67159	1.8
67.05482	9.1
68.91267	1.8
69.03405	12.5
69.07040	2.5
70.38519	1.8
71.04984	4.2
72.84039	1.5
79.05470	21.8
81.03396	9.6
81.07042	23.0
87.33112	1.7
91.05458	35.4
93.07027	60.2
95.04947	100.0
103.05475	14.2
105.07007	33.6
107.04935	7.7
107.08576	34.4
109.06518	2.7
115.05435	8.3
117.06985	23.6
119.08553	42.5
121.06487	17.8
121.10117	12.2
130.07796	12.7
131.04904	9.0
131.17725	1.6
132.30034	1.9
135.08008	4.4
135.11635	18.1
143.08527	2.9
145.10095	45.6
163.11150	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	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01865	1.5
55.05509	9.1
56.45820	0.9
57.03411	1.1
58.11627	0.7
61.81548	0.9
65.16405	0.8
67.05486	5.8
69.03407	10.2
69.07047	6.6
71.04970	6.2
73.77911	0.9
76.56491	1.0
78.10568	0.9
79.05471	25.0
81.03412	10.0
81.07031	18.5
81.70989	0.9
83.04961	5.2
91.05462	30.3
93.07021	55.0
95.04946	100.0
95.08584	5.1
103.05438	5.2
105.07018	26.0
107.04929	9.7
107.08578	36.5
109.06516	1.3
111.90019	0.9
115.05412	5.2
117.06998	17.5
119.08563	32.5
121.06492	12.0
121.10121	11.2
128.06184	1.2
130.07759	14.2
133.10091	1.5
135.08047	6.0
135.11655	14.1
137.26855	1.0
137.69635	1.1
143.08531	4.6
145.10100	37.7
163.11140	39.1
163.14838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03938	7.3
55.01868	4.5
55.05499	13.4
56.96556	2.0
57.07059	8.1
57.98705	1.6
67.05490	9.3
69.03419	24.6
69.07049	4.7
71.04971	3.4
79.05478	29.1
81.03402	4.2
81.07040	27.4
83.04946	1.9
91.05457	34.3
93.07024	67.3
95.04951	100.0
95.08588	4.8
103.05420	9.5
105.07018	49.0
107.04938	9.9
107.08583	56.5
109.06508	4.9
115.05396	2.7
117.07001	27.9
119.08568	42.6
121.06477	15.1
121.10099	21.0
130.07779	23.5
131.04956	3.3
133.02866	4.0
135.04376	10.5
135.08008	7.9
135.11670	23.0
143.08516	2.1
145.10109	54.4
163.03889	23.3
163.07478	2.7
163.09814	2.7
163.11171	68.6
163.14769	3.8
171.32655	2.2
172.20271	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.59018	2.2
53.03922	4.1
55.01859	5.9
55.05496	13.6
57.03418	2.8
57.07047	5.5
63.69174	2.7
67.05490	4.5
69.03412	18.1
69.07044	4.9
71.04971	11.0
72.38898	2.5
75.65622	2.4
79.05480	30.4
81.03380	11.7
81.07043	26.6
83.04973	4.0
86.92074	2.3
91.05460	30.1
93.07027	64.9
95.04948	100.0
97.98649	2.9
99.56001	2.5
103.05424	3.4
105.07034	43.4
106.03233	2.5
107.04964	20.6
107.08580	65.4
109.06525	2.7
115.05424	2.7
117.06983	19.3
119.08530	25.9
120.65369	2.5
121.06458	17.0
121.10123	16.2
121.51797	2.2
130.07771	12.4
135.08043	10.9
135.11671	20.8
137.44588	2.5
139.54587	2.7
145.10114	37.5
163.03879	5.3
163.07602	3.7
163.11153	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03931	2.2
55.01870	3.0
55.05505	13.6
57.54196	1.6
58.45234	1.5
67.05483	3.2
69.03416	34.2
69.07059	3.7
72.74017	1.7
74.33637	1.6
79.05470	26.5
81.07023	6.9
88.37457	1.5
91.05455	28.0
93.07023	100.0
95.04932	13.7
95.08591	3.5
101.88579	1.8
105.04507	2.1
105.07009	45.2
105.07661	2.5
107.08581	77.4
109.06516	6.3
117.07001	2.8
119.08549	13.4
121.06445	3.9
121.10103	13.1
130.07761	3.3
135.08089	2.2
135.11673	39.3
145.10133	14.2
151.38112	1.7
163.11134	40.6
163.14845	1.9
175.07208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03943	10.5
54.81383	1.4
55.01851	8.8
55.05499	17.3
56.96552	2.1
57.03419	2.5
57.07064	13.7
57.07290	1.3
57.76373	1.4
63.63198	1.2
65.03925	2.3
67.05492	13.0
68.28764	1.4
69.03417	18.8
69.07055	10.5
71.04977	8.7
77.03941	1.4
79.05473	48.5
81.03394	10.3
81.07039	39.1
83.04961	1.7
83.08618	3.3
85.02898	3.2
85.39656	1.7
89.06013	6.8
91.05461	43.9
93.07023	88.9
95.04949	100.0
95.08574	9.1
99.04430	2.9
100.02422	2.7
103.05438	8.1
105.04505	1.9
105.07011	59.7
106.07380	1.8
107.04936	15.0
107.08585	90.3
109.06487	7.5
114.80566	1.5
115.05430	8.4
117.07005	31.5
118.03519	1.6
119.08556	40.1
120.08891	1.6
121.06493	22.1
121.10112	32.3
122.09641	2.5
129.06966	2.3
130.07747	14.9
131.04860	3.4
133.02827	6.3
133.10118	2.1
135.04390	8.7
135.08047	11.4
135.11668	32.1
143.08531	2.7
145.06380	2.3
145.10100	58.7
163.03882	18.6
163.07542	8.8
163.09801	3.4
163.11150	83.8
163.14807	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03936	6.8
55.01849	10.1
55.05488	10.2
61.56514	1.4
67.05495	15.7
69.03411	10.7
69.07044	11.3
69.19480	1.5
71.04960	2.9
79.05469	36.1
81.03410	6.6
81.07037	22.5
81.30595	1.6
81.85304	1.7
83.04931	2.3
91.04899	2.1
91.05456	56.5
93.07021	100.0
95.04946	85.6
95.08566	2.6
103.05437	8.9
105.07012	84.2
107.04926	17.1
107.08568	52.9
109.06467	2.1
115.05457	3.3
117.07014	28.3
119.08555	72.4
121.06480	56.3
121.10098	24.4
130.07756	16.3
133.10089	8.1
135.07991	7.4
135.11678	33.7
143.08527	2.7
143.59947	1.7
145.08966	2.9
145.10107	69.3
163.11142	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.19911	1.3
53.03936	2.7
55.01858	3.7
55.05490	11.2
57.03433	1.9
57.07056	2.3
60.16570	1.4
67.05486	8.9
69.03410	18.8
69.07054	9.1
71.04978	2.6
79.05045	2.5
79.05475	29.5
81.03387	9.9
81.07047	27.4
83.04947	2.7
85.02874	3.6
91.05468	38.8
93.07035	60.0
95.04952	100.0
95.08578	10.8
103.05441	3.5
105.04484	2.2
105.06365	2.3
105.07020	38.4
107.04936	11.6
107.08581	57.9
109.06496	2.7
115.05434	3.5
117.07001	26.8
119.08571	34.9
121.06524	12.1
121.10138	17.2
130.07784	12.4
133.02870	3.3
133.34534	1.6
135.08035	3.6
135.11662	18.3
143.08525	3.6
145.10127	39.2
163.03900	10.9
163.11177	44.5
163.14792	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	163.0753
Annotation	Cleviolide
Peak:m/z	Relative Intensity
53.00293	1.1
53.03928	6.5
55.01853	6.5
55.05500	10.1
56.92488	1.1
57.03410	2.1
57.07073	7.7
58.72543	1.1
67.05486	11.1
69.03413	12.2
69.07039	6.9
71.04963	6.6
79.05473	38.7
81.03389	8.1
81.07040	23.7
83.04964	2.4
83.08596	1.1
89.06024	1.6
91.05465	34.2
93.06419	1.4
93.07020	56.9
95.04944	100.0
95.08582	5.2
103.05453	13.9
105.03270	1.1
105.04460	1.7
105.07010	54.7
107.04936	74.0
107.08575	45.5
109.06479	2.7
115.05425	14.7
117.07005	18.4
119.08556	28.2
120.05701	2.4
121.06493	18.6
121.10125	15.7
128.06244	1.4
129.07085	1.3
130.07756	12.5
131.80293	1.2
133.02792	2.3
133.10118	1.7
135.04338	1.7
135.07074	1.7
135.08035	34.1
135.09061	1.2
135.11655	13.3
143.08545	4.3
145.10098	36.0
163.03873	11.9
163.07539	16.4
163.11137	45.1
163.14804	7.1
173.02716	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.00293	1.1
53.03928	6.5
55.01853	6.5
55.05500	10.1
56.92488	1.1
57.03410	2.1
57.07073	7.7
58.72543	1.1
67.05486	11.1
69.03413	12.2
69.07039	6.9
71.04963	6.6
79.05473	38.7
81.03389	8.1
81.07040	23.7
83.04964	2.4
83.08596	1.1
89.06024	1.6
91.05465	34.2
93.06419	1.4
93.07020	56.9
95.04944	100.0
95.08582	5.2
103.05453	13.9
105.03270	1.1
105.04460	1.7
105.07010	54.7
107.04936	74.0
107.08575	45.5
109.06479	2.7
115.05425	14.7
117.07005	18.4
119.08556	28.2
120.05701	2.4
121.06493	18.6
121.10125	15.7
128.06244	1.4
129.07085	1.3
130.07756	12.5
131.80293	1.2
133.02792	2.3
133.10118	1.7
135.04338	1.7
135.07074	1.7
135.08035	34.1
135.09061	1.2
135.11655	13.3
143.08545	4.3
145.10098	36.0
163.03873	11.9
163.07539	16.4
163.11137	45.1
163.14804	7.1
173.02716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01863	2.8
55.05507	6.4
56.96560	7.8
57.03433	4.2
57.07059	5.6
59.04990	100.0
60.28317	0.5
60.68734	0.5
61.02905	4.1
62.92978	0.7
63.58353	0.5
67.05479	4.3
69.03417	14.5
71.04980	2.5
73.02901	3.5
79.05486	4.2
81.03395	3.2
81.07041	15.5
83.04964	3.7
85.02503	0.7
85.02894	21.2
85.06528	70.5
89.06002	1.0
91.03944	0.6
91.05476	0.9
93.07018	0.8
95.04903	0.8
97.02859	3.5
97.99178	2.9
99.04433	2.9
99.08106	0.9
100.08866	0.7
100.99524	0.6
101.02370	1.0
101.05997	18.8
103.03963	4.1
103.05416	1.0
105.06994	1.4
107.08572	2.2
109.06497	6.5
116.00250	0.7
117.05467	1.2
121.00803	0.8
121.06415	0.7
121.96598	0.9
127.03864	1.4
127.07539	15.1
133.10130	2.4
139.01804	1.2
145.08598	2.4
151.11205	0.8
157.01700	0.6
161.89127	0.6
163.03900	2.6
163.07524	1.1
163.08755	0.8
169.01730	0.7
181.02831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03947	4.8
55.01868	22.8
55.81594	0.4
57.03432	30.0
59.04987	4.3
61.02917	31.7
69.03419	74.8
71.01333	2.7
71.04975	4.2
71.19265	0.5
73.02905	20.5
74.06063	0.4
74.14233	0.5
76.58185	0.5
79.75647	0.4
81.02941	0.6
81.03405	10.0
82.56198	0.4
83.01337	2.6
85.02894	100.0
85.06519	3.9
87.00866	0.5
87.04454	2.5
90.18265	0.5
91.03934	5.7
96.44958	0.4
97.02879	23.5
99.04440	10.1
101.02363	15.7
101.06020	0.8
103.03966	0.9
109.02877	4.9
115.03930	2.9
117.05498	2.5
127.02972	0.9
127.03898	18.4
135.04408	0.5
140.50859	0.6
145.04982	1.1
161.88918	0.5
163.03864	0.5
163.08633	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	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03940	3.6
55.01865	28.9
55.05503	1.4
56.92328	0.4
57.03425	35.4
57.07063	0.8
57.60517	0.3
57.73774	0.3
59.02175	0.3
59.04990	1.5
61.02912	22.2
67.94106	0.4
68.66011	0.3
69.03413	91.6
71.01332	3.1
71.04968	4.0
73.02898	17.0
74.31832	0.3
81.03395	10.5
83.01318	2.4
83.04956	0.6
83.89555	0.3
85.02885	100.0
87.04441	3.0
89.06007	0.8
91.03925	2.4
97.02865	25.3
99.04425	14.0
100.13843	0.4
101.02354	19.8
103.03928	0.6
109.02832	3.5
111.65352	0.4
115.03905	3.6
117.05473	3.2
119.50314	0.4
127.03889	19.9
135.04283	0.5
145.04933	1.5
157.05020	0.4
163.03897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03939	0.7
54.76630	0.4
57.07054	0.6
64.08295	0.4
67.05506	0.4
68.99163	0.5
69.03420	2.4
79.05462	1.2
81.03381	0.6
81.07034	0.8
85.02893	0.7
91.05459	4.3
92.63433	0.5
93.07021	4.8
95.04944	8.1
103.05444	94.9
104.05799	0.5
105.07006	3.8
107.04900	0.8
107.08585	2.4
117.06990	1.2
119.08532	2.4
121.06453	0.6
130.07718	0.9
131.04900	100.0
135.08066	0.8
145.10092	3.3
163.07504	49.1
163.11180	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	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.04738	0.8
53.03932	1.7
53.81492	0.9
54.81471	1.0
55.05502	1.1
56.96546	1.2
57.03405	1.7
57.07068	2.3
61.02920	1.2
69.03411	5.3
79.05463	12.6
79.94922	1.0
85.02883	2.6
89.03902	63.9
89.05988	1.8
91.05441	4.6
93.07035	8.0
95.04958	12.0
97.02853	1.9
103.05461	5.4
105.07027	5.9
107.04953	12.3
107.08569	7.0
117.03365	43.7
117.07013	2.4
119.08578	2.1
121.10110	5.8
122.03657	1.3
132.02019	1.8
135.04395	69.6
135.07996	1.6
145.02835	28.9
145.10104	5.2
163.03874	100.0
163.07541	1.6
163.11128	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	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03930	1.4
56.96556	1.9
57.03418	4.9
57.07057	2.8
63.02356	1.2
69.03420	10.1
69.10014	1.1
73.02874	1.7
76.55497	1.0
79.05468	11.3
79.80563	1.0
81.03414	2.6
81.06998	1.0
85.02883	9.3
89.03901	95.9
89.06020	1.9
92.63122	1.1
95.04939	5.2
97.02879	2.2
99.04416	1.4
103.05447	2.7
107.04926	16.0
107.08569	1.8
117.03358	62.2
117.07004	1.3
130.73233	1.1
131.04935	2.5
132.22243	1.1
135.04399	100.0
145.01698	1.7
145.02841	41.2
163.03876	85.9
163.07533	2.6
181.02876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03945	5.9
55.01870	5.5
55.05497	0.9
55.28854	0.4
56.96551	0.5
57.03431	16.1
57.07069	2.4
59.04984	3.0
61.02917	21.6
61.95462	0.4
62.76818	0.5
62.96441	0.4
64.33772	0.5
69.03419	46.3
71.01331	1.1
71.04983	3.4
73.02905	10.8
81.03410	15.1
81.07011	0.7
83.01333	2.1
85.02896	100.0
85.06526	2.5
86.03207	0.7
87.04459	3.0
89.06004	0.8
91.03950	2.1
93.22440	0.5
97.00806	0.5
97.02873	19.4
97.96882	0.5
99.04427	5.7
99.08102	0.5
101.02370	2.3
102.96848	0.6
103.03920	0.9
109.02867	8.3
115.03932	0.9
117.05453	1.8
120.97890	0.6
121.00766	1.0
122.32853	0.5
127.03905	6.7
139.01820	0.5
145.05031	1.1
145.07663	0.5
163.01823	0.7
163.03874	0.6
163.08798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.86873	0.6
53.03920	0.7
55.05496	6.3
65.22931	0.6
67.05484	4.8
69.07043	7.1
75.84883	0.7
77.19899	0.8
79.05466	8.8
79.22044	0.8
81.07037	20.2
91.05459	19.6
93.07018	8.8
95.04914	1.7
95.08571	3.2
103.05415	1.3
104.06240	0.7
104.16959	0.7
105.07014	100.0
107.08562	1.6
117.07010	5.8
119.08558	71.2
121.06474	3.5
121.10084	0.8
121.95798	0.8
128.06190	1.4
131.04846	0.9
131.08522	4.2
132.09319	0.9
133.06395	0.9
133.10107	40.0
145.06439	1.1
146.07262	7.3
146.10846	1.2
161.09586	23.0
161.13220	53.5
169.21927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03925	2.1
54.13318	1.0
57.03422	1.9
57.07051	3.1
63.02362	2.1
67.43576	1.2
69.03406	1.6
71.64082	1.1
72.93907	1.0
73.32701	1.2
79.05473	13.0
80.75859	1.2
85.02868	2.5
89.03898	83.5
91.05495	1.4
95.04942	5.6
103.05444	5.4
105.07009	1.4
107.04951	17.1
111.11044	1.2
117.03358	64.8
124.14645	1.2
131.04930	3.1
135.04391	100.0
145.02834	39.5
145.03943	2.6
163.03873	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05505	6.0
57.93579	0.7
60.03972	0.6
61.72353	0.7
67.05485	4.8
69.07047	5.5
79.05476	9.6
81.07040	41.1
85.88562	0.6
91.05466	30.4
93.07030	19.3
95.04949	3.4
95.08572	3.2
95.53159	0.7
100.43925	0.8
103.05460	1.7
105.07016	100.0
107.08603	3.1
109.95694	0.8
114.21437	0.7
115.05434	1.4
117.07000	6.9
119.08564	78.7
121.06507	1.4
128.06194	8.2
131.08536	9.3
133.06493	1.3
133.10107	53.0
134.77498	0.8
143.08531	9.8
143.30579	1.0
146.07286	1.5
146.10887	0.8
159.11656	1.0
161.09616	18.5
161.13235	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78384	0.9
54.81503	1.1
55.05493	6.1
59.86411	1.0
67.05499	19.5
69.07046	8.2
69.39140	1.2
79.05481	20.2
81.07041	59.6
87.85649	1.2
91.05463	36.0
93.07030	18.4
95.08607	14.5
97.69838	1.2
103.05457	1.9
105.07017	100.0
107.08595	3.0
117.07013	7.1
119.07721	2.5
119.08570	61.7
133.09180	2.6
133.10114	48.1
161.09637	2.1
161.11914	2.3
161.13245	69.9
168.86060	1.3
178.31549	1.5
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	Trinoranastreptene
Peak:m/z	Relative Intensity
52.78384	0.9
54.81503	1.1
55.05493	6.1
59.86411	1.0
67.05499	19.5
69.07046	8.2
69.39140	1.2
79.05481	20.2
81.07041	59.6
87.85649	1.2
91.05463	36.0
93.07030	18.4
95.08607	14.5
97.69838	1.2
103.05457	1.9
105.07017	100.0
107.08595	3.0
117.07013	7.1
119.07721	2.5
119.08570	61.7
133.09180	2.6
133.10114	48.1
161.09637	2.1
161.11914	2.3
161.13245	69.9
168.86060	1.3
178.31549	1.5
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	Trinoranastreptene
Peak:m/z	Relative Intensity
52.49560	1.1
53.03948	1.6
53.77345	0.9
54.27647	0.9
54.81364	1.0
55.05496	7.1
58.18550	1.0
61.51265	1.2
64.32944	1.0
67.05503	4.5
69.07053	7.1
71.58506	1.4
79.05479	18.4
81.07042	61.7
91.05461	25.3
93.07021	26.4
93.82712	1.1
95.04939	1.7
95.08591	2.0
103.05449	1.4
105.07017	100.0
107.08597	2.7
117.06978	4.9
119.08561	64.2
121.35320	1.1
123.41113	1.0
131.08554	5.6
133.10109	49.3
143.08490	1.2
148.71567	1.2
159.11649	1.8
161.09573	2.6
161.13237	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
54.82057	0.7
55.05511	8.6
60.86432	0.7
61.60594	0.7
66.22086	0.7
67.05486	3.7
69.07043	3.8
71.21327	0.7
72.92202	0.8
73.96347	0.7
79.05460	9.8
81.03412	1.0
81.06596	1.3
81.07039	22.6
85.11503	0.8
91.05470	22.9
93.07016	15.6
95.04924	1.1
95.08585	4.1
103.05480	1.5
105.07020	100.0
107.08582	3.0
117.07005	5.4
118.07713	1.1
119.08562	72.3
121.10138	0.9
128.06209	1.6
131.08536	3.1
132.09299	1.3
133.10107	26.4
143.08569	3.5
145.10043	1.1
146.07242	1.2
159.11662	1.0
161.06009	1.4
161.09592	11.5
161.13234	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01881	0.7
55.05499	3.8
55.36347	0.6
59.34512	0.5
61.93628	0.7
67.05496	3.6
69.07051	4.0
71.40578	0.5
79.05479	8.0
81.03378	0.7
81.07049	11.6
88.02209	0.8
91.05463	18.1
92.63524	0.8
93.07018	4.8
95.04955	0.9
95.08592	2.8
97.16680	0.7
103.05451	1.1
105.07022	100.0
107.08579	1.6
115.05412	0.9
117.07018	5.1
119.08568	39.5
128.06226	5.3
131.08543	4.3
133.10112	21.8
143.08554	3.8
146.07242	0.9
161.09613	15.3
161.13243	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.8
56.99289	1.2
57.59921	1.3
59.67697	1.2
60.16858	1.2
61.87503	1.4
67.05471	2.8
69.07054	6.7
79.05470	8.1
81.07033	36.3
83.31581	1.3
91.05462	31.4
91.12234	1.4
91.38010	1.2
93.07024	21.8
95.04950	2.2
95.08607	1.7
97.62432	1.5
103.05439	2.1
105.07011	100.0
107.08585	5.4
115.87666	1.7
117.07002	6.9
119.08557	58.9
128.06157	6.3
131.08549	6.7
133.09183	2.6
133.10107	43.1
143.08557	7.4
146.07254	2.5
148.52405	1.5
161.09569	20.2
161.13251	48.1
165.42812	1.4
171.40503	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05498	6.8
61.06989	1.3
67.05504	3.3
69.07056	6.0
79.05466	10.1
81.07038	29.3
85.80488	1.4
91.05466	30.9
92.64574	1.6
93.07039	15.1
95.08622	2.2
105.07021	100.0
107.08602	3.6
117.06982	11.5
119.08566	91.0
119.12008	1.5
131.08559	9.2
133.10123	52.4
138.64082	1.8
143.08588	2.3
159.11626	2.6
161.09579	9.8
161.13249	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05504	7.7
59.13316	1.1
67.05482	7.3
69.07042	5.6
73.57098	0.9
75.56828	1.0
79.05473	12.3
79.86790	0.9
81.07035	52.6
87.49900	1.2
90.75212	1.1
91.05457	33.6
93.07025	23.2
95.04970	1.3
95.08580	2.7
103.05471	1.9
105.07013	100.0
106.78177	1.2
107.08578	4.8
115.05386	1.3
117.07018	7.8
117.94142	1.1
119.08554	72.6
119.98392	1.2
121.06459	1.3
128.06177	2.6
128.50345	1.1
131.08574	13.4
133.10110	47.1
143.08556	4.8
146.07269	1.5
161.09586	12.9
161.13208	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
54.81188	0.9
55.05510	6.0
67.05494	8.2
69.07062	8.0
71.38902	0.7
79.05477	10.5
81.07039	26.3
81.98334	0.7
87.49768	0.7
87.97453	0.7
91.05467	27.2
93.07019	15.6
93.84285	0.7
95.04951	1.3
95.08600	5.6
103.05444	4.6
105.07014	100.0
107.08556	5.3
117.07001	5.0
119.08559	52.0
131.08569	1.7
133.09193	1.3
133.10107	22.3
135.81219	0.7
150.84895	0.7
159.11696	1.1
161.09618	1.6
161.13229	55.9
179.74129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91420	0.8
51.91662	0.8
54.92300	0.9
55.05487	1.9
67.05471	3.8
69.03410	1.1
69.07047	1.4
72.06075	0.9
79.05463	5.9
81.07031	11.9
86.07691	0.9
91.05460	23.4
93.07013	9.1
103.05409	1.1
105.07015	92.8
107.04952	1.9
107.08595	1.7
115.05420	1.5
117.06956	5.1
119.08556	40.7
121.06463	15.6
128.06186	7.0
131.04884	2.2
131.08560	4.5
132.05721	1.4
133.06479	4.7
133.10104	39.4
143.08557	6.2
145.06477	2.5
146.07254	24.7
159.08051	1.5
161.09590	100.0
161.13235	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01859	0.7
55.05485	3.7
55.05726	0.7
57.84613	0.7
64.02380	0.7
66.46832	0.7
67.05478	1.7
69.03397	1.0
69.07063	1.8
78.22060	0.8
79.05479	5.8
81.07039	10.2
81.99229	0.7
88.02238	0.8
91.05461	20.3
92.08707	2.2
93.07016	6.8
95.04921	1.7
95.08588	1.3
103.05427	1.2
105.07019	81.1
107.04955	1.2
107.08557	1.5
115.05453	1.2
117.07013	4.3
119.08564	36.4
121.06487	15.7
128.06238	9.8
131.04909	4.0
131.08571	4.5
132.05692	1.0
133.06470	3.2
133.10112	36.9
143.08578	7.0
144.75211	0.9
145.06482	3.2
146.07259	29.6
161.09599	100.0
161.13237	24.5
184.34351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05499	5.5
67.05488	17.7
69.07064	11.1
69.30621	1.2
73.79835	1.3
79.05472	21.6
81.07041	55.7
88.37758	1.2
91.04906	1.7
91.05464	39.5
92.08659	3.0
93.07023	17.7
95.04902	1.6
95.08588	16.5
105.07014	100.0
107.08552	3.0
108.58730	1.4
117.06982	5.3
119.08556	68.4
125.63826	1.2
131.08540	2.3
133.10107	55.6
146.10910	1.7
161.09619	2.2
161.13231	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.59388	1.2
53.03933	1.4
54.15654	0.9
54.82059	1.0
55.05497	7.7
55.12073	1.0
59.12745	1.0
63.12342	1.0
67.05483	4.5
69.07047	5.5
73.10191	1.2
73.90672	1.1
79.05476	7.2
81.07043	29.9
91.05468	31.9
93.07033	17.1
95.08571	1.5
103.05453	2.0
105.07021	100.0
107.08558	2.4
117.07025	5.3
119.08567	61.2
128.06192	4.9
131.08540	7.7
133.10107	39.6
143.08545	2.6
161.09613	16.3
161.13242	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
61.76086	0.7
67.05477	1.4
69.03416	0.9
79.05470	1.7
81.07041	3.5
91.05466	7.2
93.07028	5.1
95.60274	0.7
105.07017	60.7
107.04930	1.3
117.07013	1.3
119.08563	18.3
121.06481	17.4
128.06203	4.1
131.04890	3.8
131.08507	1.7
132.05746	1.7
133.06476	1.2
133.09073	1.1
133.10107	34.7
143.08551	3.2
145.06458	2.8
146.07246	27.6
159.07993	1.1
161.09593	100.0
161.13222	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90080	1.0
55.05490	4.7
67.05487	6.8
69.07054	2.2
79.05018	1.1
79.05468	6.4
81.07035	15.9
91.05460	20.6
93.07024	13.2
95.08571	4.9
105.07011	89.8
117.06984	4.9
119.08558	40.0
121.06488	20.7
128.06219	2.6
131.04872	1.9
131.08536	2.6
133.06503	1.7
133.10103	39.9
143.08560	2.8
145.06470	2.2
146.07256	30.2
161.09590	100.0
161.13228	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05497	4.9
67.05512	7.4
69.03423	1.6
69.07046	4.8
79.05489	8.7
81.07039	16.9
91.05466	30.5
93.07030	10.7
95.04941	2.2
95.08597	4.6
103.05479	1.6
105.07023	100.0
107.04884	1.4
107.08562	1.3
110.40641	0.9
112.40041	1.0
113.52960	0.9
115.05414	1.4
117.06993	6.3
117.35554	0.9
119.08575	42.0
121.06497	5.4
124.09938	0.9
128.06229	10.4
128.72455	0.9
131.08575	6.1
133.06485	1.3
133.10123	46.9
143.08562	13.0
146.07260	10.9
161.09607	53.5
161.13254	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03923	1.5
55.01859	5.0
55.05501	5.0
56.71161	0.8
56.96552	1.7
60.42773	0.8
67.05478	0.9
68.56904	0.8
68.86617	0.8
69.03419	1.4
69.07037	2.1
69.58929	0.8
79.05480	14.4
81.03390	1.2
81.07037	1.8
85.02945	1.0
90.04684	1.1
91.05475	16.1
93.07028	2.1
95.04952	4.6
95.08569	1.1
97.10157	1.8
103.05458	18.3
105.07017	100.0
115.05440	21.9
117.07014	4.1
118.04140	23.6
119.08566	27.1
120.97987	0.9
128.06233	6.5
131.04932	6.1
131.08530	4.8
132.05751	1.0
133.06471	35.7
133.10094	16.8
137.02826	1.1
139.27527	0.9
143.06042	2.0
143.08508	6.9
146.03618	2.2
146.07275	3.6
161.05948	32.6
161.09583	20.9
161.13243	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	160.0757
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
52.63472	0.4
54.18791	0.3
67.04234	0.7
71.79983	0.5
78.74457	0.4
83.69640	0.5
92.08644	0.4
98.03531	0.5
98.97578	1.0
105.07022	4.7
107.04938	0.5
115.05440	19.2
116.98534	0.5
117.05744	8.7
118.06531	0.7
122.88485	0.6
130.06491	0.9
131.07288	0.6
132.08072	19.1
133.06467	3.5
142.06485	3.5
143.07274	2.5
159.06747	4.0
160.07549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
52.98521	0.4
53.52524	0.4
55.05507	5.4
56.05011	0.9
57.04549	0.4
60.08144	1.1
67.04235	0.8
69.07045	6.4
70.06562	0.7
71.02946	0.4
76.56507	0.4
83.04974	0.7
86.06049	1.8
87.04436	2.1
91.05434	0.8
91.34026	0.4
96.08105	15.6
101.05975	0.8
105.07005	4.7
114.05499	1.8
114.09154	8.3
115.05427	18.5
117.05738	10.6
117.06979	0.7
122.23292	0.5
130.06560	1.5
131.04854	0.6
131.07292	0.7
132.08063	20.2
133.05339	0.8
133.06454	3.8
135.80142	0.4
140.04967	0.5
142.06476	3.7
142.08629	3.1
143.07288	3.3
159.06731	4.0
160.07545	100.0
160.09686	6.2
160.10796	2.7
160.13275	3.5
161.07877	0.6
175.41734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30333	0.3
52.62318	0.3
57.95390	0.3
60.34517	0.3
83.19088	0.4
86.13444	0.3
91.65169	0.3
91.66391	0.3
96.84868	0.3
98.97589	0.4
101.00866	20.0
102.00974	0.6
111.04419	1.1
112.30994	0.3
116.05779	0.7
119.01905	100.0
120.01984	6.1
121.79040	0.3
137.02940	36.5
138.03065	1.6
142.03482	1.5
143.03564	5.1
161.02982	2.8
161.04604	2.5
179.04034	6.9
179.05591	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96546	3.1
62.83282	0.5
65.02874	0.7
67.05505	4.4
79.05465	3.5
81.07023	1.3
83.04971	0.9
91.05460	10.8
95.08583	0.7
98.76862	0.6
98.97563	3.0
105.07018	31.0
113.69057	0.7
114.11495	0.6
115.05413	5.0
116.06225	1.2
116.98557	0.8
117.07001	42.0
119.08566	10.2
121.68866	0.7
128.06206	1.4
129.06990	16.3
130.07753	7.1
131.08549	39.5
134.99699	1.0
142.07732	2.5
142.84236	0.7
144.09332	24.9
157.10097	4.4
159.11671	100.0
160.11909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	5.7
67.05479	5.6
73.16221	0.8
73.58367	0.8
79.05460	1.5
81.07024	1.4
83.04976	1.5
87.04483	1.0
91.05451	12.5
92.09039	4.2
102.97852	1.1
105.07016	46.5
112.52007	0.9
114.59953	0.9
115.05428	6.7
116.06176	1.1
116.98608	1.8
117.07002	59.0
119.08562	11.4
129.06976	18.8
130.07736	7.8
131.08540	40.2
142.07793	2.4
144.09322	28.7
157.10124	4.3
159.11664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96550	1.6
63.19078	0.8
65.03942	1.2
67.05489	3.6
73.77979	0.7
79.05462	5.2
81.07028	2.0
91.05466	14.8
98.97491	2.7
103.81834	0.8
105.06476	0.7
105.07011	26.7
115.05431	5.0
116.06207	1.6
117.06995	31.0
119.08558	10.9
128.06169	1.8
129.06973	21.3
130.07762	7.8
131.08543	46.1
142.07759	3.7
143.08563	1.4
144.08255	1.1
144.09329	28.9
149.77803	0.8
157.10103	4.1
159.11668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.05405	0.7
51.15749	0.8
55.05497	2.4
56.96555	1.2
59.04964	1.6
67.05488	4.7
67.54913	0.9
70.95065	0.9
76.56822	0.9
76.93338	1.6
79.05493	3.1
81.07043	1.6
83.04975	7.3
87.04446	5.3
91.05468	12.4
95.08576	2.5
98.97549	2.1
105.07017	29.0
113.09599	2.4
115.05450	1.9
116.06203	1.6
116.98605	1.9
117.07005	30.8
118.45940	1.2
119.08559	9.1
129.06982	15.8
130.07784	9.8
131.08540	41.9
142.07751	1.8
144.09348	25.6
157.10104	5.8
159.08069	4.2
159.11670	100.0
159.56268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.76980	0.9
51.81071	1.1
56.03238	1.0
56.96553	1.4
59.86241	1.1
65.31702	1.2
67.05487	1.8
68.36742	1.2
78.51910	1.2
79.05511	1.8
91.05475	6.4
105.07017	28.4
115.05447	2.5
117.07014	26.1
119.08553	8.8
129.07024	15.2
130.07779	8.5
131.08549	37.2
134.09193	1.5
142.07799	1.9
144.09334	23.4
157.10144	6.6
159.11681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34068	0.6
57.86348	0.8
66.61817	0.7
67.05484	4.7
77.08359	0.6
79.05450	3.0
81.07033	1.3
86.84090	0.8
91.05459	12.4
93.07045	0.9
94.62776	0.7
101.56535	0.7
105.07013	39.1
115.05438	5.1
116.06236	1.7
117.07001	43.4
119.08569	10.8
125.69071	0.9
128.06178	1.7
129.06982	15.1
130.07759	9.4
131.08548	42.5
136.31599	0.8
142.07767	1.5
144.09329	21.3
153.50180	0.8
157.10115	3.9
159.11665	100.0
160.11972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.04412	0.5
53.03950	0.9
58.27298	0.6
61.46733	0.6
67.05489	6.6
79.05495	5.3
81.07034	5.6
89.82539	0.7
91.05457	16.4
93.07021	3.2
103.05431	0.9
105.07014	27.3
115.05436	4.8
116.06255	1.8
117.06998	34.4
119.08575	9.0
128.06195	1.7
129.06989	17.6
130.07767	7.9
131.08548	48.6
142.07799	1.0
143.08557	1.1
144.09334	24.0
148.61656	0.7
157.10143	3.1
159.11670	100.0
166.12379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
52.75480	1.6
55.01852	1.8
55.05508	27.1
55.34790	1.3
55.70498	1.4
59.04993	41.5
61.03638	1.3
62.51104	1.2
67.05489	10.7
69.82659	1.2
70.32897	1.1
71.04966	3.6
73.06542	11.9
81.07040	3.6
81.26138	1.3
83.04966	97.5
85.02890	23.2
85.06510	1.9
85.54166	1.4
87.04454	100.0
87.04987	3.2
90.76890	1.4
91.58675	1.4
95.08598	36.3
97.06507	2.8
99.08059	11.3
100.91331	1.3
101.05978	1.4
107.82529	1.4
113.09629	50.1
117.07001	2.5
123.08091	10.4
131.08571	2.4
141.09105	19.1
144.09390	1.9
159.10265	1.7
159.11674	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
55.05504	44.5
56.96545	2.4
57.03415	2.2
57.07051	2.1
58.04198	1.8
59.04993	16.5
65.87714	1.1
67.05494	18.1
69.03409	6.6
69.07045	1.6
71.04981	14.0
72.05753	1.7
76.93379	1.4
79.05489	13.8
79.98597	1.4
81.07043	13.2
83.04465	1.7
83.04967	50.1
84.05750	8.0
85.06534	16.2
87.04456	8.9
91.04958	1.6
91.05471	19.8
91.39666	1.3
93.07008	1.9
93.98850	1.4
95.08597	13.9
97.06509	8.5
98.97553	6.1
99.04415	8.7
99.08083	11.7
101.05976	7.7
105.07022	26.1
107.08583	23.6
109.06500	15.0
113.09594	9.4
115.05444	3.1
116.06194	1.8
116.98586	2.2
117.06999	25.4
119.08580	11.7
124.08821	5.3
125.09631	13.6
127.38217	1.6
128.06142	2.0
129.07019	15.9
130.07780	6.9
131.08546	39.8
131.09459	2.9
141.09096	1.8
142.07739	1.8
142.09874	6.6
144.09332	31.1
157.10150	5.7
159.08002	8.2
159.11667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1223
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01855	1.3
55.05502	5.3
55.05726	0.7
56.96549	2.7
57.07077	0.7
59.04721	0.7
59.04984	4.6
67.05481	1.6
69.03401	1.0
69.07052	23.8
70.23528	0.5
71.04974	100.0
79.05476	4.7
81.07031	12.3
83.04964	25.3
83.08630	0.9
87.08086	19.2
93.07020	20.6
95.08575	12.6
97.06506	6.9
97.10139	3.4
98.97542	5.4
99.08071	62.8
105.07002	1.0
111.11714	6.7
115.05421	1.0
116.98594	3.5
121.10107	26.0
129.06975	6.4
134.91020	0.7
134.99648	1.5
139.11154	21.3
141.06943	1.6
142.07761	19.4
157.10107	11.7
157.12228	2.8
166.12801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55063	0.3
56.96559	6.8
57.93565	0.5
69.29135	0.3
70.06579	100.0
71.84533	0.3
71.95235	0.8
83.04978	0.4
87.04472	0.3
98.97567	44.1
99.77512	0.3
112.07592	38.8
116.06228	0.5
116.07076	19.8
116.97224	2.9
116.98598	32.4
134.99638	19.3
140.07074	2.2
152.96925	0.6
153.00706	3.3
158.01260	0.3
158.08145	4.2
158.09642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0806
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
51.41660	0.8
53.03940	1.8
54.81354	1.0
55.05510	4.2
56.96564	13.2
59.04991	2.4
61.98973	0.9
64.32988	1.0
67.05486	7.3
68.72296	1.2
69.65212	0.9
70.06573	1.0
75.41332	1.0
76.93345	1.9
78.26513	0.9
79.05484	4.7
81.07043	6.1
83.04951	9.3
87.04449	6.5
91.05466	100.0
93.07064	1.1
95.04959	1.5
95.08585	4.4
98.97570	10.2
103.05467	4.3
105.07020	27.0
107.11872	1.2
113.09606	4.0
115.05426	14.1
116.06226	27.5
116.98595	9.1
117.06995	33.4
117.95998	1.9
117.98975	1.6
119.04939	1.1
119.08572	11.0
128.06181	1.8
129.06985	37.0
130.07788	10.3
131.08548	96.3
133.06422	2.0
134.99677	5.4
141.06963	2.0
144.05702	1.7
144.08252	1.7
144.09331	25.6
157.10094	5.1
159.08051	32.5
159.11673	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01855	3.2
55.05505	21.7
56.96540	1.0
59.04719	1.3
59.04991	29.7
59.85435	0.6
63.24488	0.6
64.32908	1.0
67.05496	14.9
69.03419	0.8
71.04974	7.7
73.06528	5.2
79.05456	4.6
81.07037	9.4
83.04967	100.0
84.85884	0.8
85.02887	10.2
85.06519	1.8
87.04449	38.4
91.05462	8.7
93.06992	3.6
93.20860	0.7
95.04958	1.1
95.08588	39.4
97.06499	4.3
98.97568	3.1
99.08054	9.0
101.05974	1.1
105.07014	14.0
111.08059	0.8
113.09628	68.7
115.05436	1.8
115.85928	0.8
116.14878	0.7
117.06990	16.8
119.08549	4.1
123.08044	10.5
129.06989	8.3
130.07758	1.8
131.08557	25.6
141.09087	14.2
144.09308	9.5
157.10132	1.2
159.08037	1.9
159.11661	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0496
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
50.29941	0.5
53.03944	1.2
53.98375	0.4
55.01596	0.6
55.01867	19.0
55.05506	35.0
56.96554	5.1
57.03407	0.7
65.03926	18.6
67.05493	36.1
68.44553	0.6
68.99785	6.2
69.03410	2.6
73.02901	0.7
76.51591	0.7
83.00747	0.6
83.01331	0.7
83.04965	100.0
84.99287	0.8
86.01609	0.5
93.02910	0.7
93.03397	12.4
95.04964	4.9
97.99166	1.0
105.00189	0.7
105.86684	0.5
111.00800	6.4
111.04427	69.4
121.02856	4.8
139.00264	3.8
139.03885	27.6
142.07796	0.9
157.01311	3.3
157.04921	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29941	0.5
53.03944	1.2
53.98375	0.4
55.01596	0.6
55.01867	19.0
55.05506	35.0
56.96554	5.1
57.03407	0.7
65.03926	18.6
67.05493	36.1
68.44553	0.6
68.99785	6.2
69.03410	2.6
73.02901	0.7
76.51591	0.7
83.00747	0.6
83.01331	0.7
83.04965	100.0
84.99287	0.8
86.01609	0.5
93.02910	0.7
93.03397	12.4
95.04964	4.9
97.99166	1.0
105.00189	0.7
105.86684	0.5
111.00800	6.4
111.04427	69.4
121.02856	4.8
139.00264	3.8
139.03885	27.6
142.07796	0.9
157.01311	3.3
157.04921	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03934	0.2
55.05501	0.4
56.19794	0.2
56.96548	0.2
57.07062	1.6
59.05012	0.2
62.01669	0.2
65.93699	0.2
67.05492	3.0
69.07049	1.6
69.80196	0.3
70.95858	1.1
71.04971	0.3
72.93772	3.5
72.96037	2.2
76.85322	0.3
79.05472	4.0
81.07038	100.0
82.07381	0.3
83.04971	0.4
85.06537	0.3
89.64935	0.2
90.94825	0.5
91.05478	0.5
93.07029	2.0
95.04938	0.3
95.08585	12.6
97.06517	0.5
109.10123	2.2
113.96402	1.6
114.21413	0.2
117.74143	0.2
119.08576	0.9
131.97453	0.9
132.95876	0.5
137.09625	1.3
137.12175	0.4
137.13232	13.8
150.96870	1.9
152.58214	0.2
155.08578	0.6
157.37173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32409	0.9
50.37735	0.7
53.03939	1.2
55.01869	37.3
55.05508	34.7
56.96562	6.7
57.03410	0.9
58.41214	0.9
61.02908	0.8
65.03931	20.9
67.05495	36.4
67.25076	0.8
68.99780	11.1
69.03410	1.6
71.01353	0.9
83.01311	1.2
83.04967	100.0
84.99240	1.6
93.03388	12.1
95.04951	6.2
108.96410	0.9
111.00797	10.5
111.04430	65.4
116.98537	0.9
121.02869	2.0
129.01814	0.9
139.00266	5.5
139.03891	30.4
139.04906	1.4
141.02176	1.1
142.07713	1.0
157.01308	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	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.39664	0.6
54.42045	0.6
54.81750	1.0
55.05490	3.6
56.07092	0.7
56.36560	0.7
57.07068	1.7
59.04965	1.0
62.39721	0.7
66.60535	0.7
67.05150	1.7
67.05492	37.9
69.07057	51.5
70.95854	8.5
71.04977	13.8
72.93770	17.4
79.05485	6.0
81.07039	20.7
83.04953	2.1
85.06483	1.0
88.96886	1.9
90.94810	1.5
91.05457	1.8
93.07043	6.2
95.04953	3.5
95.08582	5.7
97.06541	1.0
99.66479	0.8
107.08568	1.9
109.10142	100.0
111.08054	1.1
111.98469	1.6
113.96355	3.7
119.08564	1.4
127.11166	1.8
128.12373	1.0
129.99493	1.8
131.97418	5.4
132.95816	9.9
137.09573	3.9
149.97163	1.9
150.96864	22.1
155.07042	3.2
155.08492	1.5
155.10597	1.8
173.98425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
50.48841	1.6
51.21715	1.7
53.03961	6.4
54.82465	2.6
55.01859	2.5
55.05497	10.8
56.96560	3.8
57.03432	4.0
57.07059	12.6
59.04987	10.3
67.05489	53.7
69.03420	4.3
69.07053	9.2
69.21320	2.1
69.96093	2.2
70.63101	2.5
70.95858	5.4
71.04971	18.7
72.93771	50.2
79.05466	37.3
81.07034	100.0
83.04964	4.3
85.06541	9.7
90.94817	8.9
91.05458	28.4
93.07016	60.9
95.04948	19.4
95.08589	66.0
97.06515	14.8
99.04443	3.6
105.04530	2.8
107.08556	4.4
109.06493	3.0
109.10134	51.3
111.04442	2.7
111.08070	22.8
111.98428	2.2
113.05959	2.8
113.96381	21.0
115.37646	2.3
115.66730	2.4
119.08562	27.4
131.97438	18.0
132.95827	9.4
137.09578	22.1
149.25430	2.0
149.97151	2.9
150.96834	15.8
155.07124	3.7
155.08586	4.3
155.10637	9.5
169.42708	2.1
173.98532	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	155.1065
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
51.92278	1.2
52.42462	1.1
55.01866	2.1
55.05499	9.1
57.03437	11.7
58.64259	1.1
59.04962	1.5
67.05489	59.0
69.03391	2.2
69.07043	7.9
69.93900	1.4
70.95839	2.8
71.04974	80.7
72.93768	29.1
73.06530	2.7
78.13846	1.4
79.05472	10.9
81.07032	21.1
83.04971	8.7
85.06531	23.1
90.94813	2.6
91.05457	10.0
93.07024	44.4
95.04930	11.4
95.08582	100.0
97.06509	66.9
99.04452	13.3
107.08556	2.8
107.09293	1.2
109.06512	7.8
109.10139	68.9
111.08093	2.8
113.09625	48.2
113.96370	11.8
115.25995	1.3
119.08546	12.0
127.03841	1.6
127.07568	1.9
131.97377	9.4
132.95802	5.8
137.09583	73.3
150.96864	13.3
155.03395	1.5
155.07135	1.9
155.08580	1.3
155.10641	32.8
173.98456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03928	0.9
55.05505	2.8
56.96559	1.1
57.03429	1.3
57.07064	1.8
58.63013	0.6
59.06856	0.6
65.03922	3.4
67.05492	25.9
67.44360	0.6
69.07055	1.0
71.04980	61.6
72.93790	5.5
72.97069	0.7
79.05483	0.8
81.07043	6.4
85.06530	100.0
91.05484	1.6
93.07043	5.9
95.04977	0.8
95.08584	12.5
97.06505	5.2
109.10158	7.3
113.09622	4.9
113.96384	1.0
119.08594	0.8
129.08698	0.7
131.97462	1.2
137.09596	9.0
150.96893	0.7
155.10670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
53.03945	3.2
55.01866	3.0
55.05500	14.0
56.96554	7.2
57.03410	1.3
57.07071	79.4
65.03948	1.7
67.05497	30.9
68.23459	1.5
69.03437	2.4
69.07059	2.6
71.04976	9.9
72.93771	18.8
77.34488	1.3
79.05484	39.6
81.07043	100.0
83.04964	2.1
83.08608	5.9
85.06539	35.6
85.81250	1.4
90.94813	1.9
91.05465	33.7
93.07029	61.3
95.04948	17.3
95.08593	35.6
97.06528	6.0
99.04446	3.8
101.98048	1.4
105.04523	2.2
107.08570	3.2
109.10148	30.5
111.08078	17.3
113.06026	3.4
113.96416	9.4
117.07025	6.1
119.08571	21.2
129.18733	1.8
131.97423	7.0
132.95815	1.8
137.09590	14.1
150.96904	6.2
155.10678	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.75608	0.8
53.03940	4.1
55.01868	3.4
55.05502	7.3
55.14461	0.8
57.03429	1.6
57.07074	9.4
59.04995	1.0
62.44286	0.8
65.03943	1.6
67.05495	23.4
67.78677	0.9
68.60625	0.7
69.03422	3.7
69.07053	3.3
71.04961	5.9
72.93775	1.4
77.03903	1.1
79.05483	28.1
81.07046	100.0
83.05016	0.9
83.08606	4.1
85.06524	5.3
91.05470	23.0
91.06010	1.4
92.09393	1.0
93.07032	49.8
95.04958	10.1
95.08594	26.9
96.39848	0.7
97.06525	2.0
97.09495	0.9
98.38126	0.9
104.59275	0.9
105.04483	1.0
107.08585	3.7
109.06503	3.8
109.10152	29.6
109.10861	1.7
110.14339	0.8
111.08070	15.5
113.09669	1.4
113.96381	0.9
117.07013	3.3
119.08559	13.6
126.88818	1.0
137.09602	12.7
155.10645	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	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
50.61831	0.7
51.62485	0.7
53.03943	6.5
55.01855	4.8
55.05507	9.2
57.03417	1.0
57.07066	20.8
57.17196	0.7
57.64189	0.7
65.03921	3.6
67.05149	1.3
67.05497	31.8
69.03408	5.8
69.07051	4.7
70.36397	0.9
71.04613	1.3
71.04979	15.5
72.93773	9.0
79.05476	30.4
81.07037	100.0
83.04977	1.3
83.08601	5.4
85.02392	0.8
85.06526	16.7
90.94844	1.2
91.05463	26.3
93.07027	52.5
93.77197	1.0
95.04948	12.6
95.08588	34.4
97.06514	6.2
99.04433	1.9
105.04467	1.2
107.08579	3.8
109.06509	3.5
109.09392	1.3
109.10142	41.3
109.10856	1.8
111.08060	21.0
113.05935	1.0
113.96407	4.2
117.06992	4.1
119.08555	15.6
131.22134	0.9
131.97423	3.6
137.09578	13.7
140.73149	0.8
150.96930	1.8
155.07103	1.1
155.08499	1.9
155.10660	8.4
158.50392	1.0
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
51.36237	0.5
52.11767	0.5
53.03937	4.7
53.31886	0.5
53.62366	0.5
55.01859	3.3
55.05501	8.5
57.03418	2.2
57.07055	1.0
59.04983	1.2
65.03931	1.2
67.05138	1.2
67.05492	23.6
69.03416	4.0
69.07055	3.7
71.04971	7.3
71.66284	0.5
72.93764	2.4
74.20415	0.5
75.04463	1.1
77.03915	0.6
79.05476	30.4
81.07039	100.0
83.04967	0.9
83.08600	3.8
85.06532	2.3
91.05461	26.2
91.06007	1.1
93.07026	50.8
95.04955	10.8
95.08586	28.0
97.06518	3.9
105.04486	0.9
107.08578	4.1
109.06497	2.9
109.09388	1.1
109.10144	35.0
111.08064	18.0
111.08814	0.8
113.09645	0.8
117.07011	2.8
119.08555	14.5
137.09592	13.5
155.10655	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	155.1067
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
50.78674	0.6
53.03929	1.6
55.01859	1.3
55.05500	5.8
56.96546	1.9
57.07068	100.0
67.05495	14.9
69.03422	1.3
69.07053	1.6
71.04981	5.9
72.93774	10.9
79.05477	15.0
79.53577	0.8
81.07039	41.7
83.04961	1.4
83.08633	1.5
85.06536	49.9
90.94808	1.7
91.05462	9.4
93.07024	23.8
95.04951	7.7
95.08591	16.2
97.06502	3.0
99.04444	5.0
107.08579	1.2
109.06507	2.0
109.10139	17.4
111.08080	6.7
111.08734	0.8
111.09663	0.9
113.05978	5.5
113.96404	4.1
119.08575	6.0
131.97427	3.7
132.95822	1.1
137.09596	6.4
150.96855	3.0
151.09132	0.9
155.08533	4.7
155.10664	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	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03928	2.0
55.01868	0.7
55.05499	3.3
57.03431	4.0
57.07069	3.7
57.92222	0.4
59.04988	0.7
60.36836	0.4
65.03938	3.4
65.95127	0.4
67.05497	31.4
69.03409	1.0
69.07050	0.8
70.95866	0.4
71.04981	50.1
72.82616	0.4
72.93772	3.2
77.68924	0.5
79.05480	11.3
81.07040	25.3
83.04964	0.7
83.08611	0.8
83.52877	0.4
85.06535	100.0
91.05463	8.1
93.07028	20.8
95.04964	4.7
95.08584	21.8
97.06513	9.2
99.04447	0.6
105.52694	0.5
107.08577	1.1
109.06499	1.0
109.10151	15.6
111.08073	3.4
113.09635	10.1
113.96405	2.1
117.06985	0.7
117.21104	0.5
119.08546	6.6
127.07578	0.5
131.97412	0.6
137.09613	14.6
155.08557	0.6
155.10681	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03933	6.3
55.01878	1.7
55.05507	9.5
57.03441	1.8
59.04991	1.8
59.58694	1.0
67.05499	24.5
68.22043	1.0
69.03410	2.4
69.07057	1.9
71.04973	7.4
72.93777	12.3
77.16959	1.1
79.05477	34.2
81.07042	100.0
81.36036	1.0
82.54189	1.1
83.08624	1.9
89.22763	1.0
90.57345	1.0
91.05474	23.4
93.07031	46.7
95.04959	11.9
95.08607	29.3
97.06538	1.8
107.08592	5.6
109.06496	2.4
109.10152	24.9
111.08078	17.0
111.15640	1.6
113.96394	5.4
114.37671	1.2
117.07020	1.6
118.54028	1.1
119.08599	12.9
127.11185	1.5
131.97443	1.6
137.09602	12.5
155.07156	1.6
155.08403	3.1
155.10680	5.3
164.67123	1.1
173.13246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.00294	0.5
53.03923	0.2
55.01878	0.3
55.05506	2.9
56.96553	0.5
57.03437	1.9
57.07069	4.0
65.03925	2.4
67.05493	19.1
69.03423	0.3
69.07063	0.5
70.95825	0.3
71.04978	37.4
72.93774	2.4
72.96027	0.2
76.33018	0.3
79.05453	2.4
81.07040	5.4
83.04942	0.3
83.08582	0.3
83.16586	0.2
85.06531	100.0
87.04459	0.2
91.05465	2.1
93.07021	6.1
93.07575	0.4
95.04959	1.8
95.08590	9.9
97.06490	3.6
99.04420	0.4
105.16701	0.3
106.43632	0.2
109.06506	0.6
109.10147	5.6
111.08039	0.5
113.05962	0.4
113.09634	4.6
113.96405	1.2
119.08568	1.6
127.07537	0.3
131.97449	0.5
132.95840	0.3
137.09590	5.8
137.13165	0.2
150.96899	1.0
155.07056	0.4
155.08549	0.3
155.10677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03929	1.0
55.01860	1.1
55.05505	9.3
57.03423	2.7
57.07072	1.1
57.57109	0.4
59.04992	5.8
59.53363	0.5
67.05489	16.1
68.90277	0.5
69.03417	2.6
69.07056	13.1
71.04978	5.9
79.05474	14.5
81.07037	26.2
83.04964	11.9
83.08620	4.0
85.06490	0.6
91.05455	8.5
93.07023	72.8
95.04962	3.7
95.08584	47.2
97.06512	35.1
97.65084	0.5
105.07022	4.5
106.80014	0.5
107.08580	100.0
109.06494	2.0
109.10142	36.0
111.08047	3.2
119.08537	0.7
135.11673	61.9
153.12721	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	1.0
54.12621	0.4
55.01869	0.8
55.05509	8.9
57.03424	2.5
57.07064	0.6
59.04990	5.5
67.05490	16.7
69.03423	2.7
69.07057	15.5
71.04978	5.3
72.54665	0.5
74.01084	0.6
74.54578	0.5
79.05052	0.9
79.05478	16.4
81.07038	29.7
83.04967	11.0
83.08589	4.0
87.14416	0.4
91.05457	8.9
92.09255	0.6
93.07022	70.4
95.04956	8.4
95.08584	45.6
95.53353	0.4
97.06509	38.7
105.07028	3.7
107.08578	100.0
108.08891	0.7
109.06500	2.5
109.09383	1.2
109.10141	36.4
111.08067	3.1
111.11682	0.7
119.06036	0.6
119.08540	0.7
135.11668	61.8
151.33711	0.5
153.12720	54.1
169.29163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62555	0.1
51.76944	0.1
54.93829	0.3
56.96562	0.7
67.21313	0.1
68.50404	0.1
69.00260	0.1
69.50282	0.1
69.96156	6.0
71.04971	0.1
71.50487	0.1
71.94077	2.0
72.93773	0.7
77.00893	0.2
77.50943	0.5
78.00771	0.6
79.51167	0.7
80.01192	0.9
80.51009	1.1
82.01427	0.2
86.52707	0.1
87.97205	0.3
88.51675	11.0
89.01717	15.7
89.51541	21.5
90.01598	2.0
90.96942	0.1
91.51978	0.2
92.01803	0.2
96.50543	0.3
97.52193	1.5
98.02222	2.0
98.52058	2.3
98.52575	0.1
99.02125	0.2
100.02457	3.0
100.52511	4.4
101.00866	0.7
101.02328	4.9
101.52431	0.8
101.97939	0.2
102.02322	0.1
102.47689	0.2
103.00621	0.8
107.98152	0.2
108.48200	0.5
108.97925	0.9
110.98563	0.6
111.22391	0.2
111.48217	0.8
111.98382	0.1
113.95075	0.5
113.96380	0.3
113.98574	0.1
116.98665	0.7
117.48704	1.3
117.98527	2.1
118.03468	0.2
118.48553	0.2
119.01889	4.8
119.48954	0.6
119.98923	2.9
120.01951	1.4
120.48795	3.0
120.98785	0.2
121.01632	4.2
122.99076	0.6
125.99194	3.4
126.02160	0.2
126.48289	0.2
126.49237	7.7
126.99061	12.0
127.49098	1.2
128.49448	3.9
128.97908	0.2
128.99507	9.8
129.49323	15.8
129.99330	2.6
130.49527	0.2
130.99702	0.2
131.01865	0.2
131.02821	0.2
131.49767	1.3
131.52542	1.7
131.96118	11.2
131.99527	2.5
132.02628	0.2
132.49667	0.6
132.95799	0.3
134.99715	0.1
135.49686	0.2
135.99542	0.2
137.02942	1.6
137.49986	24.5
138.00032	66.6
138.49857	100.0
138.99898	16.5
139.02672	1.4
139.50014	0.8
140.00232	2.9
140.49155	0.1
140.49397	0.1
140.50290	8.5
141.00113	10.9
141.50159	2.5
142.00211	0.2
142.03473	3.2
143.03595	1.3
144.03207	3.4
144.49835	0.2
145.00780	0.2
145.03540	0.2
146.50552	0.2
147.00536	1.5
147.50381	1.6
148.00398	0.2
148.99556	0.2
149.00781	10.5
149.50836	40.7
149.97185	23.9
150.00659	54.2
150.50714	11.6
150.96838	0.5
151.00815	0.6
152.01048	0.2
152.50934	0.8
153.00987	0.2
154.97713	0.6
157.01440	0.2
158.51320	0.1
159.01208	0.2
160.04485	1.3
160.51515	0.2
161.01659	0.8
161.04720	0.3
161.51445	1.7
162.01505	0.2
162.04262	1.4
167.98201	2.1
172.98746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00286	1.7
53.03932	1.7
55.01847	2.0
55.05260	1.5
55.05504	20.1
55.25161	0.9
56.96556	1.7
57.03423	4.6
57.07056	1.1
59.04990	7.9
61.91706	1.0
65.03920	5.9
65.52702	0.9
67.05489	16.9
69.03408	4.7
69.07056	12.3
71.04975	44.1
72.07008	0.9
73.06532	21.8
78.16354	1.0
79.05472	41.5
81.07034	100.0
82.14377	1.0
83.04951	4.4
83.08611	2.0
85.06524	1.4
91.05452	20.0
93.03384	1.6
93.07020	62.2
95.04939	23.4
95.08575	15.7
97.06490	10.2
105.07012	6.7
107.08574	64.8
109.06509	11.9
109.10127	11.8
111.04421	2.2
111.08061	16.4
117.06979	2.6
119.08559	1.9
123.07999	1.0
125.05989	1.3
125.09598	4.2
135.08040	9.4
135.11664	39.1
153.09074	16.1
153.12706	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
54.12090	1.9
55.05501	8.5
57.03422	2.5
59.04991	11.9
67.05508	16.4
69.03431	18.9
69.07055	41.6
71.04974	3.4
76.56477	2.2
79.05460	15.1
81.07030	18.6
83.04967	10.1
83.08619	4.4
91.05448	12.6
93.07018	36.9
95.04947	13.7
95.08587	32.8
97.06511	100.0
98.00773	2.5
105.06985	2.4
107.08588	51.6
109.10137	31.3
111.08073	14.9
135.11688	29.0
152.75769	2.3
153.09058	2.8
153.12726	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03922	1.5
55.05505	12.3
56.11000	1.7
58.41105	1.5
59.04988	9.3
67.05493	7.7
69.07045	15.0
71.04984	41.5
73.06538	22.8
79.05476	27.8
81.07043	100.0
83.08600	2.2
88.06003	1.7
91.05483	4.1
92.08609	2.5
93.07024	41.3
95.04948	4.1
95.08585	9.2
97.06515	8.9
107.08588	40.1
109.10140	13.0
111.08092	2.2
135.11693	34.7
153.12744	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03951	3.2
55.05511	16.1
56.69637	1.7
57.03437	2.5
57.07062	2.5
59.04993	14.0
60.70552	1.7
67.05495	36.5
68.96318	4.1
69.03429	3.9
69.07050	26.8
70.15794	2.1
70.94256	2.6
71.04982	15.7
78.43736	1.9
79.05485	20.3
81.07040	36.8
83.04964	3.3
83.08607	8.0
91.05466	18.8
93.07028	75.7
95.04945	2.8
95.08592	39.7
97.06525	36.9
105.07009	4.4
107.04996	3.0
107.08581	91.9
109.10143	100.0
111.08064	8.6
115.66348	2.2
119.08559	2.1
135.04402	14.2
135.11671	61.0
148.97408	3.4
153.12717	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	1.6
55.05499	9.6
57.03447	2.3
57.07059	1.9
59.04996	7.2
59.35199	1.4
64.66296	1.4
65.27215	1.7
67.05491	32.8
69.07057	22.7
71.04977	12.1
72.78865	1.9
77.92354	1.7
79.05464	10.7
81.07035	32.9
83.04967	2.8
83.08613	3.8
91.05444	11.3
93.07026	58.7
95.04950	6.9
95.08585	44.9
97.06518	22.2
102.36606	1.7
105.06992	3.5
107.08578	95.1
109.10146	100.0
111.08089	2.9
115.01745	1.7
135.11681	56.9
153.12724	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.13241	0.5
51.53428	0.5
53.03936	1.4
55.05498	4.3
57.03415	0.9
59.04993	16.2
62.70783	0.6
63.00767	0.7
63.09701	0.6
64.33208	0.8
65.03904	0.8
67.05491	10.9
69.03419	1.1
69.07066	6.7
70.94206	0.7
71.04979	1.4
79.05466	8.2
81.07050	6.6
83.04938	0.9
91.05466	20.7
93.03387	0.7
93.07027	100.0
95.04949	13.7
95.08591	49.2
95.09206	1.4
97.06525	10.6
105.04497	0.9
105.07032	6.6
107.08578	77.6
109.06508	5.4
109.10136	8.0
111.08076	3.8
119.06110	0.9
119.08549	3.2
125.09586	1.0
132.37370	0.7
135.08020	1.4
135.11671	33.2
148.97478	0.7
150.27473	0.7
153.09109	1.3
153.12726	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.68807	1.3
51.03855	1.5
53.00299	2.4
53.03945	1.9
55.01872	2.7
55.05505	19.7
55.94258	1.3
56.96562	3.8
57.07066	2.8
59.04993	6.9
66.83468	1.6
67.05486	8.7
69.03420	2.1
69.07053	28.9
71.04609	2.7
71.04976	43.4
73.06539	20.4
79.05479	29.4
81.07040	100.0
83.08588	3.5
91.05448	14.8
93.07027	51.1
95.04947	19.1
95.08592	16.3
97.06541	4.1
105.06996	3.2
107.08577	52.4
109.06497	7.8
109.10144	10.9
111.04424	2.2
111.08066	9.1
111.96850	1.7
116.03107	2.4
130.96272	1.9
135.04361	2.4
135.08061	2.4
135.11659	34.5
148.97392	3.9
153.05492	2.7
153.09111	3.3
153.12703	20.6
160.60747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	3.9
53.03936	2.0
55.01857	3.6
55.05505	21.7
55.19728	0.9
56.96547	1.4
57.03429	2.2
57.07061	5.4
59.04988	12.0
65.03919	3.9
67.05492	21.8
69.03417	7.2
69.07062	8.2
70.94236	1.9
71.04974	51.2
73.06544	17.4
77.14387	0.9
79.05475	40.4
81.03407	1.1
81.07037	100.0
83.04964	6.6
83.08606	1.0
85.06508	1.2
91.05460	25.6
93.07025	53.0
95.04945	27.5
95.08591	10.9
97.06520	10.1
105.04534	1.2
105.07011	13.3
107.08575	66.5
109.06499	11.7
109.10137	16.9
111.04414	4.4
111.08059	8.0
112.89182	1.1
115.05464	1.1
125.09653	3.6
135.08047	4.6
135.11674	34.1
153.09048	4.1
153.12717	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.80596	1.4
53.00297	1.7
53.03949	1.7
55.05514	12.7
57.95458	1.8
59.04980	10.0
67.05486	9.2
68.48398	1.4
69.07056	13.4
71.04983	49.7
73.06547	24.1
79.05479	23.3
81.07043	100.0
82.06551	1.6
84.31463	1.6
91.05456	9.4
93.07031	48.8
95.04949	9.4
95.08590	11.7
97.06503	7.6
98.72811	1.9
104.07213	2.0
107.08586	35.6
109.10148	10.0
111.08080	6.8
135.11684	33.9
153.12714	21.9
173.00597	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	1.1
53.03943	0.9
55.05508	13.2
56.96548	0.7
57.03175	0.9
57.03431	14.1
57.07083	1.0
59.04985	2.9
61.33769	0.7
65.03900	1.0
66.63802	0.7
67.05496	17.6
69.03403	3.7
69.07063	10.8
69.80189	0.6
71.04987	11.2
73.06554	4.8
75.18707	0.7
79.05479	22.3
81.07042	31.4
83.04977	4.9
83.08601	2.7
91.05462	13.7
93.07027	62.4
95.04948	7.5
95.08590	28.5
97.06516	6.2
97.10156	6.0
105.07021	5.2
107.08582	100.0
109.06528	4.9
109.10151	19.7
111.08057	3.0
112.08882	0.6
119.06042	0.9
119.08603	0.8
135.08110	0.7
135.10649	1.7
135.11674	47.5
152.03856	0.6
153.09091	1.1
153.12726	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	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01865	0.7
55.05504	2.6
56.96563	0.5
57.03430	0.4
57.35691	0.3
59.04987	1.6
59.05626	0.3
65.03927	2.2
67.05492	7.8
69.03416	1.9
69.07058	2.8
70.94226	0.4
71.04975	3.4
76.43266	0.3
79.05477	5.9
81.07040	8.4
83.04962	1.6
83.08595	0.6
85.06562	0.3
91.02332	0.4
91.05473	5.8
93.07025	15.8
95.04951	100.0
95.08585	8.8
97.06509	5.1
105.06985	2.1
107.08578	25.0
109.06505	3.6
109.10159	5.9
111.04410	0.7
111.08067	1.8
115.05410	0.4
117.06976	0.7
125.09553	0.4
135.04381	3.5
135.08022	2.2
135.11673	10.3
151.50656	0.3
153.01862	0.7
153.09100	2.6
153.12737	8.6
162.84346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.6
53.03942	1.6
55.01857	2.8
55.05503	7.6
56.96564	0.6
57.03426	2.3
57.07066	0.8
59.04988	7.9
59.45189	0.3
63.85299	0.3
65.03925	4.1
67.05495	19.7
69.03419	7.2
69.07056	10.2
71.01324	0.5
71.04977	6.3
79.05479	18.0
81.07038	21.6
83.04972	6.8
83.08609	2.3
91.05461	16.7
91.06062	0.4
91.55178	0.4
92.64810	0.4
93.03411	0.5
93.07023	37.0
95.04948	100.0
95.08582	19.0
97.02845	0.6
97.06511	14.8
105.04462	0.5
105.07014	8.8
107.04984	0.4
107.08578	54.2
109.06502	11.2
109.10146	23.1
111.04424	3.1
111.08067	6.3
115.05437	0.7
117.07006	2.3
119.06036	1.9
119.08568	0.6
123.08057	0.8
125.09608	2.1
135.08020	5.6
135.11667	21.8
138.06732	0.4
153.09108	6.5
153.12723	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	(S)-Mandelate
Peak:m/z	Relative Intensity
51.02383	0.4
53.03930	0.6
55.01852	0.4
55.05502	0.6
56.96552	0.4
65.03919	0.7
67.05482	0.8
68.96315	0.8
69.03425	0.4
69.07049	0.5
70.94229	1.4
70.95853	0.5
79.05473	4.5
81.07035	1.6
83.04962	0.6
83.08584	0.5
86.97357	0.6
90.29359	0.3
91.05463	1.6
92.09361	0.4
93.07032	2.5
95.04943	9.7
95.08588	0.5
97.06502	0.7
105.04440	0.4
105.06992	0.4
105.58952	0.3
107.04938	100.0
107.08567	3.4
108.05300	0.4
109.06500	1.9
109.10121	1.3
109.98942	0.5
111.04420	0.8
111.08098	0.8
115.43846	0.3
121.11879	0.3
125.05974	0.4
130.96280	1.4
135.04390	36.2
135.08063	0.4
135.11647	0.8
148.97360	4.3
153.05458	4.5
153.06602	0.5
153.09102	0.6
153.10181	0.4
153.12727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.0
53.03927	1.3
55.01854	1.3
55.05504	20.6
56.96548	1.0
57.03421	1.3
59.04990	1.7
59.90527	0.8
65.03926	2.1
67.05495	12.1
69.03417	59.1
69.07053	3.8
71.04987	1.4
79.05473	21.9
80.82395	1.0
81.07034	12.8
82.39140	1.0
83.04969	86.2
83.08601	1.8
89.00244	1.0
91.05463	22.9
93.06481	1.7
93.07030	29.3
95.04953	27.6
95.08590	6.2
95.55939	1.0
97.02872	100.0
97.06491	7.5
98.00751	1.9
105.07021	11.2
107.08585	66.3
108.08895	0.9
109.06513	11.0
109.10157	8.5
110.06846	1.7
110.97540	1.1
111.04453	3.8
111.07209	1.7
111.08066	9.5
117.06979	1.3
119.06058	1.7
125.09624	5.5
133.41867	1.0
135.08017	6.0
135.11682	8.1
141.95087	1.0
153.09100	12.4
153.11710	1.1
153.12772	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	153.0546
Annotation	o-Anisic acid
Peak:m/z	Relative Intensity
51.02355	0.2
53.03939	3.2
55.01859	0.2
55.05507	2.8
56.96572	0.3
59.04992	0.4
65.03927	0.2
67.05488	1.4
67.30247	0.2
68.08965	0.2
69.07059	5.4
70.94245	0.3
71.04972	1.5
73.06527	0.8
77.03925	1.2
79.05469	5.8
81.03397	0.3
81.07041	3.1
83.04958	0.2
88.89172	0.2
91.05453	1.4
92.02591	2.4
93.07022	2.5
95.04945	10.3
95.08585	1.0
97.06503	1.0
105.03384	0.9
105.04488	2.4
105.07033	0.2
107.04940	1.3
107.08575	3.3
109.06491	0.3
109.10136	0.8
109.66405	0.2
111.04431	0.2
111.08052	0.9
111.86935	0.2
130.96387	0.2
135.04393	100.0
135.11662	1.2
136.04776	0.5
136.66261	0.2
138.03085	0.2
139.61693	0.2
153.01790	0.3
153.05466	0.5
153.09094	0.3
153.12724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	(S)-Mandelate
Peak:m/z	Relative Intensity
51.02369	0.2
53.03928	0.5
54.06888	0.2
55.01848	0.4
55.05496	0.4
56.96555	0.5
59.04991	0.2
64.44546	0.2
65.03938	0.2
67.05492	1.1
68.96301	0.4
69.03431	0.3
69.07054	0.4
70.94231	0.4
79.05470	3.0
81.07030	0.6
82.81087	0.2
91.05472	0.3
93.07025	1.6
95.04954	8.1
95.08611	0.6
97.06502	1.5
98.97580	0.2
105.04506	0.4
105.06977	0.3
107.04942	100.0
107.08566	2.7
108.05267	0.4
109.06532	0.6
109.10136	1.2
111.04424	0.5
111.07993	0.4
116.98655	0.3
123.04463	0.4
125.05974	0.5
130.96278	0.4
135.04395	34.8
135.11633	1.1
138.08737	0.5
148.97354	1.0
149.20998	0.3
153.05424	3.6
153.11107	0.3
153.12723	1.2
153.99518	0.2
161.68587	0.3
167.07666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.107
Annotation	Mearsine
Peak:m/z	Relative Intensity
53.03942	0.4
55.05508	1.0
56.96556	28.1
57.07072	0.6
57.77033	0.4
59.05004	2.3
61.07150	0.4
64.33342	0.3
65.37849	0.3
67.05511	0.8
69.07056	0.5
74.97591	2.2
75.01049	0.7
76.01617	1.8
79.05489	3.5
80.05813	0.4
81.03374	0.5
81.07028	3.9
82.07392	0.6
82.83302	0.4
84.01558	0.9
91.00517	0.6
91.02330	0.5
92.05810	0.8
92.09267	0.6
93.07021	0.5
94.06559	1.6
95.02585	0.6
95.04951	3.5
96.08131	0.8
97.00494	1.7
97.06500	0.8
97.99174	0.8
98.97573	0.7
104.03107	0.5
105.03882	1.7
106.06581	0.7
106.07332	0.5
107.04937	6.5
107.08603	1.0
108.08899	1.0
109.02271	2.9
109.06503	0.8
110.06807	0.7
111.04462	0.5
112.99091	3.1
113.55506	0.5
116.00202	0.5
116.98583	0.6
118.02813	2.6
120.08102	0.8
121.08843	0.5
122.05999	33.7
123.04436	2.0
124.07575	5.7
124.11953	0.4
125.06035	0.6
127.03292	4.1
129.97897	0.4
131.00156	6.3
135.04402	3.3
136.03838	0.5
137.08336	100.0
138.54128	0.6
144.98041	0.6
149.01196	6.1
150.03583	1.8
150.99133	1.8
152.07062	3.8
152.10680	66.3
153.05441	0.7
156.73221	0.4
156.98036	0.5
158.99654	0.7
161.04840	2.0
162.99117	1.8
163.96297	0.5
164.47682	0.5
167.02225	0.8
169.00169	0.8
171.88866	0.4
172.02733	0.5
173.01157	0.5
174.99124	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.00297	2.0
53.03929	4.3
55.01855	2.5
55.05270	1.1
55.05510	23.4
57.03426	1.1
57.07042	1.3
65.03918	1.4
67.05189	1.2
67.05499	16.5
69.03421	100.0
69.07050	2.0
71.04986	17.4
79.05482	14.4
81.03384	1.6
81.07046	62.9
91.05472	17.9
93.07030	36.5
95.04398	1.7
95.04957	29.8
95.08595	9.2
96.05735	7.0
97.06501	6.7
105.07020	27.1
107.08584	23.7
109.06509	49.3
109.10147	11.1
110.07289	1.2
121.10116	1.0
123.08068	13.2
123.11660	12.8
131.08565	1.2
133.10115	13.2
133.88948	1.2
151.11183	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	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03930	0.6
54.81739	0.2
55.01832	0.2
55.05508	3.0
56.96550	0.2
57.07073	4.5
59.05002	1.0
65.03922	0.6
67.05497	17.3
69.03420	1.0
69.07059	14.5
71.04977	0.3
71.08624	0.9
79.05480	10.8
81.07043	100.0
83.08602	0.9
84.35228	0.2
91.05467	7.7
93.07035	6.7
95.04952	5.2
95.08591	42.3
103.05449	0.3
105.07013	7.9
107.08583	8.2
109.06505	5.1
109.10149	11.8
114.81756	0.2
120.69880	0.2
121.10143	0.3
123.08034	0.9
123.11683	3.0
131.08615	0.4
133.10088	2.5
142.90201	0.2
147.78474	0.2
151.07526	0.5
151.11168	6.2
151.14804	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	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.48833	1.2
52.73163	1.2
53.03935	1.9
55.05497	11.6
56.96556	2.8
57.03432	20.0
57.07072	1.8
59.04997	1.7
65.03929	2.0
67.05491	50.0
68.42220	1.6
69.03429	1.9
69.07043	6.9
76.32293	1.3
77.91677	1.7
78.95975	1.5
79.05479	28.0
81.07039	100.0
91.05463	80.0
93.07021	54.7
95.04950	14.4
95.08582	32.6
105.07012	86.9
106.98914	1.6
107.08575	66.3
109.06506	14.1
109.10154	15.7
109.10821	1.8
121.10126	3.1
123.08036	2.3
123.11691	33.1
131.08588	2.2
133.10114	68.8
151.11174	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Carvone
Peak:m/z	Relative Intensity
53.00297	0.4
53.36505	0.3
53.48102	0.3
55.01858	1.6
55.05506	0.7
57.07061	0.9
57.44103	0.4
59.04980	1.6
65.03912	1.9
67.05493	4.4
69.03407	1.7
69.07050	6.6
71.92889	0.4
79.05476	3.7
81.06597	0.8
81.07037	12.4
91.05466	12.0
93.07034	3.3
94.04173	2.9
95.04935	4.0
95.08572	3.9
105.06986	4.1
107.04922	3.2
107.08569	5.0
108.05734	0.8
109.06501	100.0
109.10135	4.7
111.04469	0.4
119.06055	3.6
123.08044	18.0
123.11688	4.8
133.10080	3.1
151.11198	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	Carvone
Peak:m/z	Relative Intensity
55.94069	0.6
59.04985	1.1
67.05501	1.0
69.03407	1.3
73.01121	0.6
79.05471	5.4
81.07040	12.5
91.05441	3.4
93.07037	3.2
95.04958	6.0
95.08588	1.2
97.96191	0.8
101.38768	0.8
105.06987	3.1
107.08577	2.8
109.06500	100.0
109.10150	0.7
123.08045	1.3
133.10095	1.3
151.11151	44.7
151.12352	1.7
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	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.05483	2.8
57.03403	2.1
60.06270	1.2
60.26715	1.1
65.03934	2.1
67.05493	16.0
69.03407	1.5
69.07043	5.8
71.04974	2.8
75.25185	1.4
75.73946	1.4
79.05480	10.8
81.03407	1.7
81.07038	29.9
91.05470	23.9
93.07027	27.7
95.04951	65.3
95.08598	3.4
105.07005	22.6
107.08580	76.8
108.05717	9.9
109.06506	85.1
109.10143	25.6
117.00327	1.3
123.08065	3.0
123.11707	7.2
133.10110	16.6
151.11166	100.0
161.75641	1.5
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
53.03931	2.2
54.11472	0.8
55.01860	3.9
55.05505	12.7
56.69299	0.7
57.03424	1.8
57.07058	1.9
59.04990	4.4
64.04801	0.8
67.05494	22.6
69.07060	1.5
71.04958	1.1
79.05468	21.3
81.07033	46.5
91.05460	62.6
92.08636	2.0
93.07022	18.6
93.38921	0.9
95.04939	10.3
95.08591	11.3
103.05458	1.3
105.07013	100.0
107.08570	33.4
109.06509	19.1
109.10153	17.3
117.07001	2.2
118.07764	5.8
121.10120	2.3
123.04466	1.2
123.08021	5.5
123.11677	9.9
131.08557	8.1
133.10104	55.6
136.01543	1.6
151.03903	5.2
151.07550	2.2
151.11159	15.4
154.02621	2.1
156.17731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
51.21507	0.6
53.03944	0.6
55.01865	1.6
55.05509	6.7
55.93031	0.6
57.03410	0.9
57.07067	3.6
58.98996	0.6
59.04721	1.3
59.04995	26.9
60.32072	0.6
64.84990	0.7
65.03931	1.4
67.05498	24.5
69.03069	1.0
69.03421	21.3
69.07059	100.0
71.04967	4.3
79.05475	10.8
81.03391	0.9
81.07044	58.9
91.05464	12.3
93.07031	14.1
95.04952	13.9
95.08588	9.9
105.07024	21.2
107.08583	20.9
107.96293	0.7
109.06514	44.8
109.10148	26.5
109.18540	0.7
119.06049	1.4
119.98387	0.7
120.10505	0.7
121.10107	1.6
123.08067	8.9
123.10777	1.3
123.11690	34.6
131.08551	1.2
133.10117	9.7
150.68224	0.6
151.11177	19.6
153.00151	0.7
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	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.78755	0.6
53.03941	1.2
54.35646	0.7
55.05505	0.9
57.07058	0.8
58.68515	0.8
67.05477	4.9
67.29617	0.5
67.66159	0.6
69.03391	0.8
69.07049	3.6
71.04955	0.7
72.96808	0.7
78.82630	0.6
79.05474	5.3
79.61285	0.6
81.07042	12.2
83.10413	0.6
89.57572	0.7
90.88013	0.6
91.05451	3.6
93.07001	5.6
95.04949	12.0
105.06999	3.8
107.08599	4.9
109.06504	100.0
109.10114	1.6
119.59534	0.7
123.08035	1.4
123.11674	1.1
133.10097	3.5
151.11163	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.00285	2.7
53.03945	4.2
55.01873	2.7
55.05503	29.8
56.75868	1.8
57.03432	22.0
57.07071	2.5
59.41960	2.2
64.99263	1.8
67.05489	36.1
68.14694	2.4
69.03431	22.2
69.07053	9.3
71.04978	24.3
77.03898	2.4
79.05474	34.4
81.03407	31.6
81.07041	100.0
83.04987	3.0
91.05462	58.0
93.07020	87.1
95.04938	53.6
95.08583	41.8
105.07014	54.4
105.07662	3.3
107.08574	58.1
109.06509	67.8
109.10130	28.0
110.07209	2.4
121.10132	3.5
123.08044	13.6
123.11673	26.7
133.10104	51.7
151.11153	98.6
151.12344	3.7
160.16876	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Carvacrol
Peak:m/z	Relative Intensity
53.00286	0.2
54.60537	0.2
55.01853	0.2
59.06770	0.2
65.03924	1.9
67.05485	1.1
73.22932	0.2
79.05464	1.2
81.07040	5.0
91.05463	10.0
93.07031	0.4
94.04175	2.6
95.04936	1.0
105.06998	1.5
107.04954	2.5
107.08597	0.4
109.06504	100.0
112.17754	0.2
119.06023	3.6
130.45197	0.2
133.10149	1.6
151.11186	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	151.1117
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.00300	0.6
55.05505	4.2
57.03424	0.8
59.04716	1.3
59.04993	26.4
67.05494	18.9
69.03425	7.9
69.07056	100.0
71.04987	1.0
77.97893	0.6
79.05478	5.3
81.07040	45.1
91.05458	7.2
93.07040	5.3
95.04945	9.7
95.08578	8.8
95.72691	0.7
100.49825	0.7
105.07015	9.8
107.04941	0.9
107.08569	6.0
109.06506	34.1
109.10140	19.3
119.06087	1.1
121.10146	4.0
123.08043	8.1
123.11682	29.7
133.10106	6.4
147.79698	0.7
151.11153	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Carvacrol
Peak:m/z	Relative Intensity
58.57484	0.3
65.03925	0.4
67.05502	0.8
69.03419	1.7
69.07072	0.4
71.09101	0.3
79.05478	3.4
81.07053	7.1
84.94165	0.4
90.19803	0.4
91.05453	2.8
93.07044	0.7
95.04940	3.7
95.08599	0.7
105.07025	0.6
107.04915	0.6
107.08562	0.6
109.06510	100.0
109.10142	0.8
123.11687	0.4
147.65657	0.5
151.11174	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.00311	0.8
53.03935	0.9
55.05489	6.5
57.07064	3.8
59.04721	1.1
59.04992	26.5
59.09414	0.8
67.05146	1.1
67.05488	20.6
69.03419	9.8
69.07051	100.0
69.29827	0.8
71.04986	3.0
79.05474	7.5
81.07034	43.0
91.05460	7.3
93.07013	8.9
95.04946	8.7
95.08599	9.4
99.60996	0.9
105.07021	13.4
107.07935	0.8
107.08548	7.5
109.06504	43.7
109.10138	22.9
121.10127	1.7
123.08052	7.3
123.11674	33.3
133.10136	6.6
133.10992	1.1
151.11156	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	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
50.08927	1.3
51.71487	1.5
53.03928	2.1
55.01876	1.9
55.05508	7.6
56.96540	2.0
57.03439	3.0
57.07075	1.7
59.04998	17.2
61.44249	1.6
61.52585	1.6
64.65013	1.5
67.05493	26.0
69.03406	3.0
69.07059	3.2
79.05479	19.0
81.07046	55.3
91.05466	35.7
93.07027	23.0
95.04945	8.5
95.08591	10.7
97.77519	1.7
98.97589	1.8
103.05471	2.6
105.07014	47.8
107.08578	100.0
107.09306	3.7
108.08871	2.2
109.06493	21.5
109.10150	22.7
123.04385	2.9
123.08033	10.0
123.11697	15.5
133.10126	33.0
147.22285	1.8
151.07529	2.0
151.11163	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-3-methylphenol
Peak:m/z	Relative Intensity
55.05501	1.7
57.03429	1.2
57.07084	0.9
59.04990	4.3
65.03915	2.1
66.70500	0.8
67.05492	13.5
68.79186	0.8
69.07040	1.4
79.05473	9.0
81.07037	21.0
88.27361	0.8
91.05460	21.5
92.06216	0.8
92.64751	0.8
93.07020	13.6
93.59153	0.8
95.04935	5.0
95.08593	5.3
96.26369	0.8
105.07021	21.8
107.08577	100.0
109.06511	15.1
109.10143	24.4
110.51920	0.9
119.06010	0.9
123.08049	5.9
123.11683	10.2
133.10110	15.5
151.03860	6.4
151.04955	0.9
151.11162	25.0
151.46820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05508	11.8
56.05554	0.8
57.03430	0.9
57.07064	4.0
63.07578	0.8
65.03929	1.2
67.05479	1.4
69.06716	1.3
69.07058	25.1
79.05479	21.3
80.02568	1.0
81.07042	9.1
91.04889	1.2
91.05463	35.6
92.08617	2.0
92.09217	4.5
93.07026	76.5
95.04937	6.6
95.08585	1.5
105.04444	1.7
105.07008	18.5
107.04964	1.4
107.08582	100.0
109.06493	5.7
116.06228	2.0
117.63692	1.1
119.06101	1.1
119.08554	6.0
121.06495	2.3
121.10126	39.8
123.08047	1.7
131.08542	9.5
136.06476	1.1
149.09587	12.1
149.13249	36.4
149.14471	1.2
167.51549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0775
Annotation	7-Methyladenine
Peak:m/z	Relative Intensity
52.67490	0.3
55.49227	0.3
56.05017	0.7
56.96539	0.6
61.01137	0.5
61.02528	0.3
67.93555	0.6
77.99195	0.3
82.04057	0.4
92.02463	1.7
104.05280	0.5
106.04042	0.4
108.05566	3.1
109.05123	2.3
123.07926	0.3
133.03465	0.4
133.05078	29.5
150.07733	100.0
168.06445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.01858	4.4
55.05499	8.2
57.03444	2.4
65.03929	21.2
67.05497	31.9
68.99765	2.1
69.03423	3.9
69.07049	2.2
71.30225	1.7
79.05458	11.8
81.03419	2.8
81.07033	32.8
83.80236	1.8
91.05453	25.2
93.07022	24.9
95.04945	24.9
95.08588	10.7
105.06999	31.4
107.08576	62.8
108.02083	33.5
109.06506	22.9
109.10131	15.5
111.04403	13.8
121.03960	9.9
121.10088	2.8
123.04387	10.5
123.08068	13.3
123.11679	13.9
133.06569	2.0
133.10147	19.1
141.05490	3.0
144.59509	1.8
151.03889	100.0
151.05011	10.5
151.07500	10.0
151.11183	20.6
154.02608	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	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
54.72474	1.4
55.05491	10.3
55.58875	1.6
56.47325	1.5
57.07060	1.7
58.81924	1.5
65.03915	2.4
67.05479	2.4
69.07056	51.5
79.05475	24.9
81.07026	13.0
83.08578	2.1
90.24332	1.4
91.05472	25.8
93.07027	72.8
95.04944	7.8
95.08569	3.5
97.38437	1.4
105.07018	27.4
107.08578	100.0
107.76998	1.6
109.06502	6.4
119.06030	2.0
119.08547	3.4
121.10129	57.6
124.39620	1.6
131.08504	1.8
131.40964	1.7
133.07605	1.9
134.11005	2.0
149.09587	6.3
149.13229	41.8
155.14330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01847	1.2
55.05505	8.7
56.61739	1.0
56.96548	2.0
65.03904	1.7
67.05481	4.7
69.03378	1.0
69.07057	16.9
77.03905	1.9
79.05070	1.3
79.05483	22.7
81.03396	2.4
81.06607	1.6
81.07044	31.5
91.05464	25.9
93.07027	100.0
93.88659	1.1
95.04943	6.8
95.08555	5.2
105.04489	1.7
105.07027	14.8
107.04968	1.4
107.08584	74.9
109.06478	1.7
116.06239	2.1
119.08540	1.6
121.06494	1.6
121.10123	40.2
131.08539	10.1
149.02391	2.0
149.09615	21.3
149.13242	59.4
150.21553	1.2
165.99406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.5
55.05508	12.9
56.96575	1.4
57.07063	1.5
63.03781	1.0
67.05486	2.9
69.07050	18.7
72.05440	1.2
79.03303	1.1
79.05473	20.2
81.07044	26.8
83.08588	1.2
91.05474	22.9
93.07027	100.0
95.04943	4.6
95.08574	6.1
105.07012	11.6
107.08581	76.4
119.08566	1.6
121.06535	1.2
121.10126	47.4
128.56996	1.2
131.08560	1.5
131.30879	1.2
133.51497	1.1
135.37527	1.4
137.53059	1.1
144.77687	1.2
149.09579	9.4
149.13242	68.0
151.69257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
52.77435	1.8
55.05490	10.5
57.07066	1.8
64.33329	1.6
67.05484	6.9
68.34985	1.6
69.07071	17.3
79.05471	22.2
81.07037	31.1
91.05461	27.3
91.55177	1.6
93.07029	100.0
95.04939	8.4
95.08575	3.2
105.07011	7.1
107.07874	3.0
107.08585	85.7
109.06509	4.5
119.08517	2.3
119.81968	1.7
119.86673	1.9
121.06476	18.9
121.10125	35.9
149.09595	11.3
149.13249	77.0
150.62479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53539	1.1
53.03941	2.3
54.00187	1.2
55.05510	10.8
57.07064	1.6
62.69740	1.2
65.03943	1.3
67.05511	2.8
68.15930	1.5
69.03403	1.5
69.07062	23.8
71.22113	1.3
77.03857	1.5
79.05482	24.6
81.07040	27.5
83.08674	1.5
91.05465	30.2
93.07029	100.0
95.04945	3.3
95.08576	5.7
105.07022	13.8
107.04923	2.5
107.08580	70.0
109.06540	2.6
116.06242	2.1
119.08593	2.4
121.06503	11.9
121.10117	43.9
131.08559	6.6
134.38814	1.6
149.02353	3.7
149.09627	19.5
149.13237	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
51.08697	0.8
52.47038	0.8
55.05501	4.1
56.13446	0.6
56.43194	0.7
57.07083	1.0
65.03955	0.8
69.07071	1.5
73.71545	0.8
75.18039	0.8
76.73670	0.9
79.05482	12.2
81.07054	1.5
91.05475	15.3
92.09322	3.1
93.07027	17.1
95.04980	1.2
103.05441	3.6
105.07019	26.1
106.07804	1.3
107.04977	0.9
107.08584	33.5
109.06503	1.6
116.06239	2.0
119.08565	8.1
120.09363	1.7
121.02888	0.9
121.06519	1.5
121.10125	100.0
123.08053	5.1
131.08563	6.5
133.07591	1.3
149.02347	2.0
149.09579	8.3
149.13245	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01862	2.3
55.05506	14.0
57.07069	2.9
65.03921	2.1
67.05485	5.6
69.03405	2.2
69.07055	31.3
69.57235	0.9
73.76971	1.1
77.68456	1.0
79.05053	1.6
79.05478	27.1
81.07043	16.7
81.36372	1.0
91.05469	44.6
93.07027	100.0
95.04939	9.3
95.08585	4.8
103.05459	1.4
105.07013	24.1
107.08582	99.3
109.06486	4.8
116.06248	2.8
119.06025	2.4
119.08589	2.3
121.02909	1.2
121.06492	4.6
121.10126	47.5
121.14893	1.2
123.08072	1.6
131.08536	12.7
143.77036	1.2
149.02324	4.7
149.09615	24.8
149.13235	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21300	1.2
53.03936	2.6
55.01878	2.2
55.05507	13.8
56.96544	2.0
57.03434	2.1
65.03925	3.4
67.05491	3.3
69.03421	3.2
69.07056	25.9
79.05482	37.5
81.03394	1.5
81.07038	20.7
91.05471	57.5
93.07027	99.6
95.04946	9.0
95.08630	2.3
96.67182	1.4
103.05470	3.6
105.07018	29.3
107.08581	100.0
109.06494	3.7
116.06228	10.9
119.08566	9.3
121.06528	12.4
121.10122	55.8
129.07021	2.2
131.08562	27.3
149.02324	9.5
149.06000	5.8
149.08517	3.0
149.09612	51.0
149.13254	44.7
166.74493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
52.26347	1.2
53.03930	2.9
54.81641	1.4
55.05510	14.5
57.03426	1.4
57.07054	3.0
58.68008	1.4
60.07090	1.2
65.03910	2.3
67.05485	5.5
69.03413	2.2
69.07053	27.4
79.05479	25.6
81.07032	26.8
88.39281	1.4
91.05463	41.4
92.08640	3.1
93.07023	100.0
95.04937	7.5
95.08589	6.6
103.05492	1.6
105.07022	19.8
107.04949	3.2
107.08577	84.8
107.09303	3.3
109.06496	9.4
119.06001	1.6
119.08574	5.2
121.02842	2.2
121.06467	10.1
121.10123	51.1
131.08519	10.9
144.94824	1.5
149.02322	2.7
149.09604	25.2
149.13234	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
51.40214	1.3
53.03948	1.8
54.81449	1.4
55.01862	1.4
55.05508	13.3
65.03929	1.6
67.05489	5.5
69.07057	22.2
77.18809	1.5
79.05484	27.1
81.07051	30.7
83.08576	1.7
91.04962	1.7
91.05475	33.6
92.09104	1.6
92.68349	1.3
93.07029	100.0
95.04955	10.4
95.08562	5.9
95.25666	1.5
105.07020	14.9
107.04931	1.5
107.08588	85.7
109.06522	5.6
116.06232	2.8
119.08540	3.2
121.02782	1.6
121.06484	2.7
121.10136	43.0
129.06963	2.3
131.08540	15.7
149.09621	28.6
149.13243	68.9
168.04263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.00286	0.8
53.03928	2.7
55.05508	12.4
56.96563	0.7
57.07074	5.8
60.00250	0.5
64.22488	0.5
65.03928	1.2
67.05482	3.2
68.88951	0.6
69.07057	57.3
72.03006	0.5
75.03867	0.5
79.05009	0.5
79.05476	21.4
81.07039	7.4
83.08607	3.2
91.05464	33.6
93.07024	63.7
95.04944	6.2
95.08582	3.8
105.04496	0.6
105.07017	28.0
106.07797	0.9
107.04959	1.0
107.08580	100.0
108.09369	2.6
109.06493	6.4
109.77514	0.6
116.06226	1.0
119.06035	1.2
119.08572	7.7
119.67079	0.6
120.09371	0.5
121.06496	0.8
121.10123	58.4
123.08025	3.9
129.06970	0.8
131.08501	5.4
133.07617	2.4
133.10135	0.9
134.07224	0.7
134.10887	2.4
149.09602	16.0
149.13239	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	149.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01860	1.3
55.05485	0.6
57.03424	1.3
65.03918	1.1
67.05527	0.6
69.03123	0.7
69.03425	10.0
71.83905	0.5
72.10708	0.5
74.64133	0.5
79.05473	9.8
81.07052	1.3
91.05464	100.0
93.07024	22.7
95.04951	3.5
103.05449	4.7
105.07016	26.9
106.07816	0.9
107.04938	0.8
107.08582	41.1
109.06490	3.9
115.05441	10.7
115.06189	1.0
116.06219	39.8
119.08556	15.6
120.05769	0.6
121.06493	5.3
121.10120	17.0
123.08027	1.4
128.06198	1.2
129.06976	17.8
131.08545	76.1
133.06476	1.5
134.07253	2.2
143.06108	0.8
145.06572	0.7
147.80144	0.6
149.02313	0.8
149.09602	42.0
149.13242	1.1
152.65602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
52.03229	0.7
52.38784	0.7
53.03930	1.1
54.81617	0.9
57.03435	2.2
69.03421	1.4
75.41783	0.8
76.03938	0.9
77.75433	0.8
78.64007	0.8
79.05479	7.8
91.05466	100.0
93.07029	20.0
95.04945	2.0
103.05444	5.1
105.07012	25.0
107.08582	42.1
109.06528	3.6
115.05446	11.3
116.06224	42.6
116.07013	1.9
119.08582	19.5
121.06468	1.6
121.10123	14.2
128.06242	3.7
129.06989	18.8
131.08553	82.2
134.07233	1.3
143.06018	1.0
149.09612	23.4
149.13274	1.4
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
53.03933	1.6
54.18666	0.6
55.01852	1.1
57.03434	1.5
60.13738	0.8
61.46851	0.7
65.03912	0.9
67.05514	0.9
69.03416	1.8
69.07000	0.9
74.53444	0.7
79.05477	9.9
82.91191	0.7
91.05464	100.0
92.08704	1.0
93.07027	21.8
95.04937	3.4
103.05441	4.9
105.07014	25.3
106.07732	0.9
107.04935	0.9
107.08580	44.4
109.06475	3.9
109.58081	0.8
115.05436	10.9
116.06220	42.9
119.06086	1.0
119.08555	19.3
121.06474	9.7
121.10108	17.0
123.08073	0.9
128.06180	1.1
129.06973	22.3
131.08543	88.8
132.78627	0.8
133.06445	1.2
134.07217	0.9
149.09602	25.6
149.13232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03937	1.4
55.01867	1.2
55.05501	1.1
57.03416	2.6
65.03941	0.6
66.70703	0.6
69.03410	3.0
72.85981	0.7
78.79346	0.8
79.05474	9.8
81.07025	1.7
91.05459	100.0
92.08779	1.3
93.07017	22.0
95.04926	1.5
103.05435	5.0
105.04450	0.8
105.07013	21.5
106.07793	0.8
107.08575	42.8
107.09303	1.4
109.06492	3.0
111.69827	0.8
115.05437	12.0
116.06211	40.2
119.08553	18.7
120.24610	0.7
121.02888	0.8
121.06458	3.0
121.10120	13.9
123.08043	0.9
128.06165	1.1
129.06973	18.1
131.08540	76.9
133.06433	0.9
135.51550	0.7
149.02313	1.3
149.09589	27.6
149.10712	1.3
149.13231	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	149.0445
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
53.00089	0.4
53.00303	4.1
53.07309	0.4
53.50025	0.4
55.01871	4.9
55.05500	0.8
56.96563	3.9
57.03425	6.0
57.07061	4.2
59.04993	0.7
59.07362	0.6
61.02915	89.0
65.03925	5.3
67.05489	9.1
69.03421	3.0
69.07053	2.1
71.01337	100.0
71.04977	5.4
73.02897	3.5
73.06538	0.6
78.58714	0.4
79.05470	5.5
83.04991	0.5
84.04458	0.5
85.02889	35.2
85.04826	2.5
85.06529	31.5
89.02367	6.3
91.05457	16.0
91.06002	0.7
91.96165	0.4
92.83450	0.4
93.03405	0.9
93.07023	9.9
95.04958	4.8
101.02373	3.9
103.03922	70.9
103.05444	2.9
105.04492	0.8
105.07013	5.0
107.04950	0.9
107.08575	7.3
109.06521	1.0
110.88107	0.5
111.04465	1.8
113.02348	58.4
113.05976	4.1
115.05437	0.6
116.06238	2.4
119.08562	0.9
121.02847	6.0
121.03603	0.5
121.04030	0.5
121.06479	11.4
121.10121	4.8
123.07957	1.9
129.06999	0.8
131.03333	1.1
131.07033	0.8
131.08537	10.7
134.03581	0.6
149.02336	16.1
149.03441	0.9
149.04399	0.6
149.06013	2.9
149.07135	3.9
149.09586	10.9
149.13286	1.0
153.70656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03946	0.5
53.37610	0.4
53.59528	0.5
54.82178	0.5
55.01853	1.2
55.05222	0.4
55.05501	2.7
60.90241	0.6
62.50203	0.4
65.03905	0.6
66.82224	0.5
67.05474	0.6
69.03067	0.9
69.03416	16.2
69.07072	0.5
79.05476	8.7
81.07043	3.3
91.05458	16.1
93.03388	2.1
93.07023	17.4
95.04928	3.2
98.68295	0.5
100.03554	0.5
103.05461	1.2
105.04525	0.6
105.07011	7.0
106.07803	1.9
107.04945	1.2
107.08575	6.9
108.05750	0.7
108.23948	0.4
109.06508	0.9
116.06226	1.2
119.08568	0.8
121.06497	6.3
121.10127	4.9
131.08539	3.6
134.07233	2.6
149.02356	0.6
149.09604	100.0
149.13214	5.1
150.09903	0.8
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	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03930	1.8
54.82093	0.7
55.01858	1.5
55.05495	1.5
64.33929	0.6
65.03918	0.9
69.03407	4.7
69.07069	0.8
77.03945	0.8
79.05473	13.2
81.07035	4.0
91.05462	41.9
92.05800	0.7
93.07021	23.7
95.04931	4.5
100.29794	0.7
101.63934	0.8
103.05441	4.4
105.06367	1.4
105.07014	27.2
106.07813	1.8
107.04924	1.7
107.08572	5.6
109.06478	1.8
115.05435	4.8
116.06224	17.7
119.08569	5.3
121.06490	16.2
121.10120	32.8
123.08051	5.7
123.72655	0.7
129.06972	6.5
131.08534	24.7
131.09457	1.4
133.07593	1.3
134.07254	4.0
147.08008	2.8
149.02284	3.7
149.09598	100.0
149.13231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
54.81519	1.7
55.05500	3.1
55.16126	1.5
55.22271	1.4
61.66484	1.5
67.11703	1.6
68.40108	1.7
69.07048	1.7
70.44798	1.7
79.05470	6.7
81.07038	1.8
91.05470	30.7
97.24721	1.9
98.87265	1.7
105.07024	57.9
107.08568	3.2
117.07002	14.5
119.08572	100.0
122.22141	1.7
129.07001	2.9
131.08507	2.0
132.09335	7.9
145.10071	2.6
147.08055	9.2
147.11687	77.4
154.15355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
54.37712	0.1
54.46728	0.1
55.69194	0.1
56.05030	5.4
59.16950	0.1
67.42204	0.1
67.61164	0.1
75.55461	0.2
78.33430	0.2
79.40887	0.2
84.04488	100.0
85.02897	2.4
85.04817	1.0
88.03961	0.2
102.05521	21.9
112.79353	0.2
130.04980	14.3
131.03441	0.2
131.05292	0.3
136.93588	0.2
148.06013	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.01867	1.5
55.05500	13.6
55.51139	1.1
56.96545	1.3
67.05486	1.6
68.50822	1.2
69.03412	2.7
69.07045	2.2
69.34713	1.2
70.37053	1.2
79.05470	10.0
81.07015	1.6
91.05461	53.9
93.07040	3.2
95.04935	1.5
95.35601	1.4
103.05448	2.9
105.07011	99.4
107.08576	3.3
109.48276	1.4
117.06990	11.1
119.04919	34.0
119.08556	94.0
122.94839	1.4
123.96445	2.8
129.06964	2.1
132.09338	3.4
145.10117	9.1
147.04405	19.3
147.08022	11.3
147.11676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05501	10.7
62.70908	1.1
67.05489	1.7
69.07059	1.8
74.99234	1.0
79.05468	6.0
81.07021	1.0
87.45335	0.9
91.05466	24.9
93.07026	4.2
96.93278	1.3
103.05464	1.7
104.06191	1.2
105.07011	100.0
107.08594	1.3
117.07008	6.3
119.04889	1.2
119.08560	79.0
145.10133	6.0
147.04514	1.3
147.08051	5.0
147.11670	82.4
154.80646	1.1
157.09525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.77148	0.8
53.54181	0.7
54.27620	0.8
54.82349	1.1
55.05490	5.9
67.05519	1.2
67.59509	0.7
69.07063	1.0
70.41296	0.7
79.05472	4.0
91.05460	17.8
93.06989	1.3
94.80968	0.7
95.04926	0.9
103.05460	1.2
105.07024	39.7
107.08607	7.7
117.07005	12.9
119.08567	100.0
123.50358	0.8
123.74307	1.0
131.08533	1.6
132.09311	9.9
141.92424	1.1
145.10115	1.9
147.11667	63.7
157.52028	0.9
158.78261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81539	1.0
55.05504	8.9
67.05472	1.4
69.07025	1.4
79.05460	4.4
81.07044	0.9
91.04959	1.1
91.05465	19.9
93.07013	3.4
103.05461	1.7
105.07018	100.0
107.08567	1.7
115.00254	0.9
117.06995	5.4
119.08565	62.6
121.49157	0.8
124.47927	0.9
132.09308	2.0
145.10135	4.1
147.08031	1.4
147.11670	68.6
147.25462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
54.81525	1.3
55.05504	6.3
58.17849	0.9
61.48948	1.2
64.92799	1.4
65.03928	1.4
67.05495	23.4
69.07043	2.0
79.05475	15.2
81.07045	15.3
83.37911	1.1
87.06055	1.2
91.05467	63.4
93.07030	10.2
105.07023	100.0
117.07014	4.8
119.07719	1.8
119.08569	46.5
123.96494	1.9
143.90726	1.7
145.10159	2.3
147.11682	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.22793	0.4
53.63442	0.4
54.81509	0.4
55.05506	4.7
64.59008	0.5
79.05462	3.0
83.89491	0.5
91.05449	7.1
92.09280	1.0
93.07015	0.8
103.05441	2.6
105.07017	100.0
117.07001	3.2
119.08561	30.3
125.75318	0.5
132.09332	1.2
145.10115	1.0
147.08061	0.7
147.11674	34.4
150.97762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.71188	0.8
55.05506	10.2
56.78708	1.0
58.93726	1.0
64.92783	5.7
67.05491	2.8
69.07047	2.0
79.05461	6.6
81.07023	1.7
84.72830	1.0
91.05459	42.4
93.07021	1.7
103.05436	4.6
105.07015	100.0
107.08576	6.3
117.07012	15.0
119.08560	97.8
123.96452	15.7
132.05754	1.2
132.09348	9.9
145.10091	4.7
147.08028	6.7
147.11664	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.5
55.34204	0.7
59.43096	0.7
65.03918	0.9
67.05488	0.9
69.07040	0.7
73.15508	0.7
78.14608	0.8
79.05459	3.6
81.07046	1.0
85.02851	0.8
85.17017	0.7
91.05465	23.7
93.07018	3.2
95.04989	0.7
103.05435	3.0
104.06259	1.0
105.07018	69.6
107.08588	6.7
108.39979	0.7
109.06470	0.8
113.42916	0.8
117.07009	12.9
119.08562	100.0
131.08598	0.7
132.09332	10.0
144.06319	0.9
145.10123	3.4
147.08047	2.6
147.11671	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.0
62.23065	0.8
67.05498	1.5
69.02991	0.9
69.07039	1.4
74.40880	0.9
79.05465	4.8
81.07014	1.3
82.28717	1.0
85.55890	1.0
91.05459	26.7
93.07008	1.5
103.05421	2.2
105.06280	1.2
105.07013	74.9
107.08572	7.7
117.06977	16.8
119.08559	100.0
123.96391	1.2
129.07011	1.0
131.08502	1.6
132.09344	9.5
134.54677	1.0
144.95493	1.0
145.10159	4.0
147.08032	4.5
147.11670	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05493	5.2
60.31950	0.8
73.25273	0.8
79.05470	4.4
91.05465	16.9
93.07003	1.7
95.04952	1.1
103.05469	1.7
103.63820	0.8
105.07013	41.9
107.08607	8.2
108.94380	0.9
113.00155	0.8
115.05466	1.2
116.06250	0.9
117.06985	13.0
119.08564	100.0
125.61438	0.9
131.08524	1.3
132.09312	10.5
145.10121	1.7
147.11673	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03350	0.8
55.05504	6.9
55.05728	0.8
55.52503	0.9
56.96549	0.8
61.84522	0.7
63.25500	0.8
67.05478	1.9
69.07035	1.1
77.51923	0.8
79.05469	5.3
80.80273	0.8
91.05468	29.8
93.07008	1.6
103.05454	3.5
104.06237	0.9
105.06295	0.9
105.07020	86.1
107.08589	7.7
117.06988	12.1
119.08569	100.0
123.96468	1.3
128.27309	0.9
129.06963	1.5
131.08539	1.6
132.09351	7.9
132.10252	1.0
145.10165	6.7
147.08058	12.6
147.11681	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05508	9.9
62.38748	1.1
63.99808	1.0
67.05477	2.9
69.07037	1.8
71.07372	1.0
79.05473	7.5
91.05463	26.2
92.64497	1.8
93.07019	2.8
95.04908	1.4
103.05433	1.8
105.07021	74.7
107.08578	6.0
110.47581	1.1
117.07001	10.5
117.32320	1.1
119.08565	100.0
132.09366	5.9
145.10103	4.8
147.08023	7.2
147.11678	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58473	1.1
55.05500	8.5
56.55399	1.1
56.97304	1.2
64.00817	1.1
67.05491	2.4
69.07059	2.7
79.05474	6.0
79.15475	1.4
81.07049	3.3
91.05471	35.6
93.07027	2.9
94.66408	1.3
103.05486	1.4
104.06223	1.4
105.07019	95.1
106.89052	1.2
106.96508	1.3
107.08604	3.1
117.07001	14.0
119.08567	100.0
123.96404	1.2
132.05673	2.1
132.09326	7.1
145.10045	1.7
147.08018	9.4
147.11681	87.4
157.32774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.85365	0.7
55.05302	0.6
55.05510	9.7
67.05479	2.8
69.07052	1.7
77.33402	0.6
79.05461	4.8
81.07045	1.0
81.33654	0.6
91.05463	24.1
93.07024	1.0
95.04942	0.8
103.05444	1.3
105.07015	100.0
107.08571	2.7
111.51274	0.6
113.39012	0.7
117.06976	7.4
119.08563	64.5
121.84483	0.8
123.61542	0.7
123.96404	1.1
131.08566	0.9
132.09323	4.7
145.10117	4.6
147.08012	4.7
147.11668	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03910	0.9
55.05508	9.9
55.79350	0.9
64.92779	1.5
67.05478	1.5
69.07053	1.8
79.05472	4.7
81.07053	1.9
91.04901	1.2
91.05468	26.4
93.07037	1.3
95.04977	1.3
103.05458	1.4
105.07025	81.4
107.08712	0.9
117.07021	6.8
119.07713	2.0
119.08572	58.3
123.96470	1.7
130.58717	0.9
132.09354	1.7
145.10127	1.9
147.08028	5.4
147.11685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71421	1.2
55.05512	11.1
64.92781	2.0
67.05489	7.7
69.07060	2.1
79.05482	11.1
81.07026	2.3
91.05467	50.7
92.09299	1.9
93.07009	5.6
98.96302	1.4
99.20190	1.2
103.05438	2.6
105.07024	100.0
117.07007	5.4
119.08566	55.0
123.96416	6.6
132.09409	1.3
140.68056	1.3
145.10100	5.7
147.08055	5.8
147.11676	72.9
153.90019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.75076	0.5
53.03936	0.8
55.05507	10.2
56.96540	1.0
58.42241	0.6
67.05493	7.9
69.03419	1.0
69.07040	3.7
76.38858	0.6
79.05466	9.1
81.07021	5.3
91.05464	45.3
93.07035	7.6
95.04945	1.2
103.05456	3.2
105.07015	100.0
107.08582	3.3
117.06999	9.6
119.04926	0.8
119.08562	80.2
123.96433	1.0
129.06958	1.0
131.08604	0.8
132.05707	0.9
132.09319	3.0
145.10095	4.5
147.07985	9.4
147.11676	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.02627	0.5
57.03450	0.6
62.92964	2.6
67.28571	0.4
69.03403	0.9
71.04992	1.3
79.05478	0.9
79.88200	0.5
83.08596	2.3
85.02892	2.1
91.05471	12.8
99.04423	3.2
103.05471	1.1
105.07022	38.0
109.39798	0.6
114.37325	0.5
115.05460	5.6
116.06197	2.3
117.07004	26.3
121.96655	6.9
128.06210	4.0
129.06972	5.8
130.07771	29.2
131.60754	0.5
143.08556	6.6
145.10118	100.0
152.81712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79747	0.5
53.03941	0.9
59.54639	0.5
63.26591	0.5
67.05499	1.3
67.99262	0.5
75.13919	0.5
79.05501	0.9
84.49800	0.5
84.63199	0.5
91.05465	13.1
97.05992	0.7
99.04433	1.1
103.05428	2.2
105.07022	38.4
115.05441	6.3
115.89740	0.6
116.06236	2.9
117.07001	26.4
128.06236	5.3
129.06979	5.6
130.07774	32.5
143.08539	7.0
145.10117	100.0
146.10423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
56.96559	5.7
57.03414	0.7
58.14823	0.6
69.03406	0.8
70.03738	1.0
72.05298	0.8
72.08135	15.1
84.99379	0.7
85.02882	1.5
86.03222	1.2
86.06044	1.3
91.05460	18.9
95.78040	0.7
97.90666	0.6
100.04765	3.4
100.07610	1.2
100.67787	0.8
105.07025	1.5
110.06064	0.6
112.11221	2.8
117.05722	4.7
118.06516	100.0
119.06807	0.8
128.04961	4.5
128.07036	1.4
129.13930	0.9
146.05991	46.0
146.07950	2.1
146.10445	0.9
146.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.05499	1.7
56.96559	5.7
57.03414	0.7
58.14823	0.6
69.03406	0.8
70.03738	1.0
72.05298	0.8
72.08135	15.1
84.99379	0.7
85.02882	1.5
86.03222	1.2
86.06044	1.3
91.05460	18.9
95.78040	0.7
97.90666	0.6
100.04765	3.4
100.07610	1.2
100.67787	0.8
105.07025	1.5
110.06064	0.6
112.11221	2.8
117.05722	4.7
118.06516	100.0
119.06807	0.8
128.04961	4.5
128.07036	1.4
129.13930	0.9
146.05991	46.0
146.07950	2.1
146.10445	0.9
146.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.09248	0.5
54.12194	0.7
58.55956	0.6
59.66644	0.5
65.03928	6.3
74.57243	0.6
77.29414	0.7
88.25366	0.8
88.68066	0.7
91.05460	82.0
111.04377	0.8
119.04921	100.0
147.04391	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37226	0.5
50.49181	0.6
53.03938	0.5
91.05463	6.5
92.99310	0.7
93.12959	0.7
103.05418	0.9
105.07018	35.1
115.05457	1.5
116.06303	0.7
117.07014	11.6
121.96629	1.4
128.06181	1.1
129.06960	2.8
130.07776	21.4
143.08546	4.5
145.10120	100.0
151.51579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76479	0.4
52.27801	0.4
52.55722	0.4
53.03911	0.4
62.92989	0.4
67.05494	0.5
70.00743	0.4
72.42309	0.5
84.93868	0.5
91.05435	4.9
91.07343	0.4
99.04437	0.5
103.05442	0.8
103.30356	0.5
105.07015	32.4
115.05418	1.1
116.06283	0.6
117.06996	11.7
118.38580	0.5
121.96632	3.3
128.06187	2.4
129.06978	3.2
130.07765	19.5
130.08670	1.0
141.35228	0.4
143.08548	4.2
145.10106	100.0
146.10432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93471	0.6
62.92972	3.7
69.03406	1.1
71.04949	0.7
73.16161	0.8
73.51994	0.9
78.05010	0.8
83.08626	1.4
85.02873	0.9
86.96449	0.8
91.05461	7.7
99.04432	2.0
101.40919	0.8
105.06369	1.6
105.07019	31.9
115.05433	1.8
117.07008	16.6
121.96636	10.9
128.06207	0.9
129.06979	4.0
130.07759	18.0
138.35239	0.8
143.08487	6.5
145.10112	100.0
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
51.17072	0.4
62.92961	2.2
79.99597	0.5
83.08614	0.5
91.05478	5.6
92.08675	2.6
103.05446	0.6
105.07014	30.5
115.05406	0.9
115.75764	0.6
116.06255	0.7
117.07004	11.4
121.96622	3.8
128.06184	2.1
129.06975	3.1
130.07764	15.7
143.08527	5.0
145.10103	100.0
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
67.05490	0.7
91.05466	8.6
93.36957	0.5
99.04385	0.4
100.32777	0.5
103.05421	2.6
105.07017	37.2
115.05427	4.8
116.06227	2.6
117.07004	23.4
128.06168	3.6
129.06989	6.8
130.07767	29.3
143.08549	5.4
145.10109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04557	0.7
67.05504	1.8
70.18734	0.7
79.05515	0.8
91.05471	14.9
103.05443	2.0
105.07019	43.8
113.56892	0.8
115.05423	5.7
116.06225	3.2
117.07005	30.9
123.13043	0.9
128.06206	3.6
129.07001	7.0
130.07770	29.6
130.08682	1.6
143.08511	7.8
145.10120	100.0
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
62.92961	1.1
67.05478	0.9
71.70964	0.8
74.98448	0.7
77.53439	0.7
79.05477	1.1
81.35395	0.8
83.08593	1.4
85.02859	0.8
91.05460	11.6
95.28136	0.8
99.04462	1.4
103.05445	1.2
105.07015	42.3
115.05450	5.2
116.06214	2.0
117.07001	25.0
121.96610	3.2
128.06215	4.0
129.06969	5.0
130.07765	28.2
143.08542	5.2
145.10104	100.0
145.88861	0.9
162.24005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86283	0.7
67.05500	1.5
67.33347	0.6
82.37531	0.6
91.05462	13.8
103.05415	1.4
105.07012	40.4
115.05420	6.1
116.06213	1.2
117.06999	24.4
128.06210	4.0
129.07007	6.1
130.07756	25.8
143.08569	5.9
145.10103	100.0
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
56.96531	1.2
63.41395	0.8
67.05473	1.1
69.03429	1.1
71.04959	1.3
73.17399	1.0
79.05472	1.9
83.08626	1.4
85.02900	1.4
91.05474	15.7
97.28857	0.9
99.04401	1.8
103.05472	1.3
105.07018	44.0
115.05441	4.9
116.06217	1.7
117.07005	28.0
121.96573	1.8
128.06190	1.9
128.44373	0.9
129.06975	6.2
130.07771	28.2
136.37344	1.1
143.08528	7.9
145.10107	100.0
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
56.96547	0.7
62.38574	0.4
62.92963	0.5
63.27492	0.3
64.04742	0.4
67.05482	2.2
68.85206	0.3
69.03426	0.5
71.04954	0.4
72.67314	0.3
73.38940	0.4
73.55715	0.4
79.05472	1.5
85.02902	0.6
91.05466	12.1
99.04431	0.6
103.05427	2.0
105.07015	35.4
105.67781	0.4
108.97479	0.3
115.05437	6.1
116.06208	3.0
117.07001	27.7
121.96613	0.9
128.06223	4.0
129.06976	5.2
130.06773	0.4
130.07770	27.9
143.08548	7.2
145.10109	100.0
146.10477	0.5
155.87363	0.4
160.81454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05474	0.4
62.14829	0.4
62.92975	1.7
67.05483	2.1
69.03396	0.4
71.05009	0.4
79.05481	0.5
83.08600	0.5
90.01982	0.8
91.05469	13.6
99.04425	0.8
103.05439	2.3
105.07018	42.2
115.05441	5.7
116.06213	1.9
117.07005	26.3
121.13363	0.5
121.96616	4.0
128.06209	3.6
129.06987	5.9
130.07774	28.2
143.08537	6.6
145.10109	100.0
146.10469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0859
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
52.33817	1.2
53.03964	1.3
55.01849	2.2
55.05507	13.6
55.48914	1.1
57.03425	2.9
57.07063	3.3
59.04987	12.6
62.37767	1.2
65.43828	1.2
67.05503	11.5
69.03040	1.1
69.03419	6.8
71.04959	1.5
78.69310	1.2
79.05466	5.5
81.03421	2.0
81.07047	23.9
83.08601	7.7
85.02374	1.2
85.02895	40.0
85.06529	100.0
87.06179	1.4
97.02895	2.1
99.04442	7.2
103.03922	57.1
103.48907	1.3
108.61143	1.4
109.06487	2.4
112.14774	1.5
127.03936	2.1
127.07558	12.1
127.08447	1.4
127.43685	1.4
145.08667	1.5
145.10037	1.6
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
62.92973	2.5
77.84777	0.6
90.14119	0.6
91.05451	6.8
92.65018	0.8
99.04464	1.0
105.07012	36.2
115.05407	0.8
116.06136	0.8
117.06993	13.2
121.96620	3.4
123.58043	0.7
128.06213	1.4
129.06972	2.9
130.07764	17.0
136.33148	0.7
143.08539	3.9
145.10104	100.0
154.10078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03944	7.9
55.01871	19.0
55.05511	1.8
56.96551	4.0
57.03169	1.4
57.03429	20.8
57.07060	5.7
61.02911	11.7
64.68066	0.7
69.03418	46.5
71.01296	1.1
71.04977	6.4
73.02910	1.6
81.03396	12.0
82.06533	1.5
83.01328	1.4
83.04971	1.6
83.08574	1.3
84.08204	0.8
85.02892	100.0
85.06527	3.9
87.04450	3.7
92.08761	1.0
97.02872	23.1
99.04441	21.6
100.07605	30.4
103.03916	1.2
109.02870	4.3
111.04427	9.4
112.20378	0.8
112.39335	0.8
117.48965	0.7
127.03885	12.0
128.07071	18.3
145.04971	5.9
146.09172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
54.76588	0.6
55.05502	13.8
56.96557	12.6
57.07067	19.0
59.04982	3.8
67.05490	8.5
67.51058	1.9
69.03413	5.7
69.07044	3.8
71.04976	100.0
73.06536	11.7
76.51551	1.7
79.01834	12.8
79.05474	5.4
81.07026	5.7
83.04958	9.9
83.08607	9.8
85.06527	43.7
85.18253	0.8
88.02355	29.8
90.52613	0.9
91.05473	2.0
97.02865	2.0
97.10145	12.8
99.53109	1.4
103.61409	0.8
105.06988	1.0
107.08576	37.2
120.97865	0.9
125.09608	24.5
128.06209	22.0
129.06546	1.2
141.06964	1.0
143.08554	20.2
143.10666	10.4
155.06021	1.9
159.55894	0.8
161.08673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01858	0.6
55.05503	15.8
56.96555	15.4
57.06776	0.7
57.07063	15.4
58.50534	0.6
59.04981	4.2
59.08017	0.5
60.95840	1.1
61.66320	0.5
65.03922	1.2
67.05484	13.0
67.51054	4.4
69.03409	4.2
69.07041	5.0
70.01315	0.8
71.04974	100.0
71.90363	0.8
73.06534	11.1
73.37874	0.5
74.68846	0.5
76.51559	2.8
79.01830	23.2
79.05456	4.3
81.07023	5.4
83.04958	12.8
83.08604	9.4
85.02869	0.6
85.06524	44.8
88.02354	35.8
88.52576	0.7
90.52644	0.9
90.70664	0.6
91.05443	1.3
95.08540	0.6
97.02868	2.9
97.06483	0.8
97.10145	11.5
99.53121	1.3
105.07013	2.3
107.08578	33.5
115.05437	1.0
118.86761	0.6
125.02368	0.8
125.09598	25.7
128.06190	19.3
138.98973	0.8
139.01779	0.8
141.06961	0.9
143.03355	1.1
143.08548	14.0
143.10631	13.4
145.06441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.2
60.95855	1.5
60.98734	0.3
69.48303	0.2
70.06590	1.4
80.95510	0.2
84.96041	0.5
84.99606	0.4
89.70109	0.2
97.00819	0.9
98.06053	2.7
99.04461	0.3
100.02474	0.9
102.00923	0.3
102.02219	1.0
102.96861	3.2
103.00620	12.4
103.01259	0.9
103.02456	0.6
118.03456	0.4
119.01891	3.0
120.01982	5.6
120.03234	0.9
120.97880	3.8
121.01640	100.0
126.02094	1.0
137.02902	1.3
138.03017	3.0
138.04170	0.4
138.98950	3.4
139.01842	3.7
139.02676	51.5
140.15057	0.3
142.03482	0.5
144.03201	33.3
144.06476	0.5
157.00037	0.5
162.04243	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10130	0.4
80.67460	0.5
88.51673	1.1
100.02429	1.5
101.00854	21.0
119.01894	100.0
124.02401	0.7
137.02931	33.1
137.49965	5.0
142.03482	29.2
149.00795	0.8
160.04524	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	143.0704
Annotation	Dihydrosarkomycin
Peak:m/z	Relative Intensity
50.18969	1.1
53.03930	6.6
54.24577	1.2
55.01860	8.0
55.05501	10.9
56.96553	13.5
57.03421	2.1
60.95834	3.3
66.03755	1.3
66.11428	1.2
66.12492	1.2
67.05486	7.3
68.99769	7.4
69.03423	26.5
69.06710	2.0
69.07052	33.4
71.04973	9.1
73.06532	1.7
79.01825	3.2
79.05478	100.0
81.07037	35.3
83.04953	12.7
83.08583	1.5
85.02896	1.9
87.00796	3.1
88.02349	6.2
92.08644	1.8
95.04942	9.4
97.02870	9.9
97.06519	89.1
98.06034	1.9
99.04416	9.4
102.96819	2.5
107.04938	10.4
111.41235	1.4
113.06007	3.2
119.01927	12.1
120.01981	34.5
120.97889	2.3
121.01635	2.4
125.02343	12.3
125.05972	51.7
128.06198	3.0
130.54283	1.4
137.02953	3.3
138.03021	18.7
138.98921	5.5
139.01837	2.3
143.03401	61.4
143.06023	1.7
143.07019	13.4
144.03249	1.4
161.04651	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.32616	0.7
53.57653	0.9
55.05509	16.6
56.96546	5.5
57.07069	18.0
59.04978	1.8
61.28390	0.8
63.29374	0.9
65.03879	1.0
67.05493	8.2
67.51053	1.3
69.03417	6.3
69.07047	1.7
71.04977	100.0
71.89693	0.8
73.06541	13.0
75.17270	0.8
79.01855	7.5
79.05479	4.2
81.07036	4.1
83.04971	8.3
83.08602	9.4
85.06531	46.6
88.02360	12.0
91.05462	1.3
97.02864	1.1
97.10151	16.1
99.22849	0.9
107.08578	37.5
114.37199	1.1
125.09605	24.5
128.06186	4.9
135.84949	1.0
139.81099	1.0
143.08537	1.6
143.10658	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01877	0.9
55.05261	1.1
55.05504	19.4
56.96553	1.2
57.07066	17.6
59.04983	1.9
59.75533	0.6
60.95846	0.7
64.15073	0.6
65.03913	0.8
67.05499	9.8
69.03419	7.5
69.07059	1.2
71.04977	100.0
73.06538	12.7
79.05465	5.0
81.07022	5.4
83.04964	11.7
83.08602	9.9
85.06528	52.5
88.56003	0.7
91.05433	0.9
97.02820	0.8
97.06487	1.1
97.10154	16.0
101.22063	0.7
102.96882	1.6
105.07002	0.8
107.08575	39.3
119.01923	1.5
120.01967	5.5
120.97841	1.5
125.02301	0.9
125.09613	30.5
125.67710	0.7
138.03067	1.6
138.98965	1.1
139.01750	1.4
143.03447	3.6
143.10667	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	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
53.03941	2.3
54.19570	1.2
55.01861	19.8
55.05503	75.9
56.05646	1.2
56.96556	6.1
57.03439	1.8
57.07082	1.3
59.04989	18.9
67.05492	30.8
69.03434	2.0
69.07050	2.8
70.12089	1.2
71.01333	2.6
71.04975	7.3
71.08637	1.6
79.05475	8.8
81.03390	2.7
81.07039	25.3
83.04962	100.0
85.02887	7.7
85.06516	6.7
93.07025	13.2
95.04942	5.9
95.08583	78.7
97.06509	16.2
98.97576	6.5
99.04420	3.0
99.08080	10.5
105.06985	2.7
113.09617	33.6
116.98578	3.1
117.98952	2.9
118.03500	2.9
119.01956	1.8
123.08022	24.0
134.99644	2.8
141.09119	15.8
146.09052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
51.12970	0.3
53.03933	1.6
55.01856	0.6
55.05507	12.3
57.03432	3.2
60.71619	0.4
65.03927	0.6
66.02406	0.4
67.05495	39.7
69.07051	0.4
71.04983	0.7
73.43512	0.4
79.05475	15.3
80.06232	0.5
81.03407	0.7
81.07040	83.7
82.07359	0.5
83.04955	0.4
85.02876	2.0
91.05455	0.9
91.93494	0.4
93.07027	8.1
95.04957	1.0
95.08587	100.0
97.06493	0.6
99.04417	1.7
99.08073	10.9
105.07013	6.2
123.08045	13.0
141.09094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0909
Annotation	2-Propyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
53.03932	1.2
55.05508	9.9
57.03440	2.0
57.03691	0.7
59.04982	0.8
60.16805	0.7
63.48725	0.6
65.03927	1.5
67.05140	1.4
67.05489	36.4
67.05849	1.2
71.04973	4.5
77.74014	0.9
79.05489	7.8
81.03378	1.3
81.07034	50.5
85.02876	0.7
91.05430	1.1
93.07016	7.9
95.04947	2.9
95.08584	100.0
95.75106	0.9
99.04447	0.8
99.08067	23.1
105.07005	1.6
113.09503	0.7
114.36688	0.7
123.08038	18.9
141.09113	3.2
147.51613	0.7
154.25276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
50.69080	1.4
53.03933	3.4
53.56570	1.5
54.86603	1.5
55.01856	6.5
55.05504	13.3
55.05719	1.8
55.47725	1.4
55.82619	1.4
56.96541	3.5
57.03423	2.0
59.04983	3.0
67.05493	42.5
67.18227	1.3
69.03396	9.7
70.12563	1.6
71.04969	8.1
71.35092	1.5
73.87010	1.5
79.05475	15.0
81.03394	2.9
81.07040	61.4
83.04967	6.9
85.02874	2.7
85.06495	3.5
93.07037	12.8
93.07510	1.7
95.04953	25.4
95.08586	100.0
97.06514	61.3
98.97532	2.1
99.08053	7.2
100.02483	2.7
105.06978	2.4
113.09619	6.4
116.98593	2.2
117.98904	2.9
118.03475	2.3
121.81835	1.7
123.08033	42.5
123.11715	2.4
141.09087	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0911
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
51.69968	1.4
53.03930	1.2
55.01864	7.2
55.05513	9.8
56.96563	2.3
59.04974	4.1
61.02927	1.2
61.85146	1.0
64.19118	1.1
67.05500	40.4
67.49854	1.2
69.03423	9.8
69.07031	1.4
69.36863	1.2
71.04988	7.1
75.04470	1.0
79.05485	13.6
81.07043	34.1
83.04971	4.7
85.02909	4.6
85.06567	4.1
90.49654	1.2
93.07014	10.1
95.04961	6.1
95.08592	100.0
95.45409	1.2
97.06519	61.8
97.07126	2.6
98.06938	1.3
98.97584	1.7
99.04430	2.3
99.08105	5.2
99.97916	1.8
105.07031	2.2
108.05735	2.4
113.09606	8.1
116.98642	1.4
123.08046	35.3
128.24153	1.3
141.06978	2.7
141.09093	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	141.091
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
53.03942	2.4
55.01873	5.0
55.05507	39.0
56.96568	1.6
57.79564	1.1
59.04992	100.0
67.05491	15.5
69.03421	2.2
69.07053	2.4
71.04981	4.7
73.06538	7.5
77.75019	1.2
79.05477	4.4
81.07029	13.5
83.04464	2.1
83.04967	65.5
83.89336	1.1
85.02911	5.3
85.06527	1.6
93.07024	4.6
95.04975	2.8
95.08579	35.2
97.06510	9.3
99.04449	2.4
99.08069	8.4
109.29735	1.2
112.44877	1.0
113.09635	12.2
116.98598	1.7
117.98930	1.6
123.08044	9.6
134.82115	1.2
141.06950	2.0
141.09073	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	2-Propyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
51.89338	0.8
53.03927	1.6
54.81681	1.0
55.00386	0.9
55.01852	5.2
55.02100	1.0
55.05503	12.2
56.96555	2.6
57.48144	1.1
59.04986	1.6
61.02928	1.1
65.08006	1.2
67.05146	1.5
67.05496	34.1
67.82545	1.2
69.03407	6.3
69.07024	1.2
70.06922	1.1
71.04972	6.6
77.50436	0.9
79.05466	12.8
81.07043	30.8
83.04967	2.6
85.02901	2.4
85.06519	6.5
87.23042	1.0
93.07014	7.9
95.04943	4.4
95.08589	100.0
97.06506	59.6
98.97582	1.7
99.04433	1.7
99.08033	1.8
99.97900	2.2
105.06999	2.1
107.58744	1.1
108.05678	1.5
111.88797	0.9
113.02437	1.1
113.09652	9.1
113.10310	1.0
116.98611	2.1
117.98966	1.4
123.08056	35.9
141.09077	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	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
51.19284	0.6
53.03939	3.6
55.01879	0.8
55.05512	9.3
56.96555	6.8
57.03424	1.3
58.38414	0.7
59.04989	1.7
61.02917	1.1
65.03914	1.1
66.04692	0.7
67.05496	25.5
69.03429	1.8
69.07072	1.1
71.04977	14.3
79.05474	14.4
81.03409	3.3
81.07043	100.0
82.04192	6.7
82.07835	7.0
83.04976	14.7
85.02879	1.2
85.06515	4.3
87.06379	0.7
91.05466	0.9
92.49051	0.8
93.07023	7.6
95.04943	4.2
95.08588	71.8
97.06516	11.6
98.97549	1.5
99.04423	1.2
99.08069	12.1
99.97911	1.1
100.02453	1.4
109.06512	1.8
111.08067	11.0
113.09646	4.2
116.98568	1.0
117.98929	1.2
122.87735	0.8
123.08075	13.5
141.06964	4.6
141.09102	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	141.0911
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
53.03941	1.5
55.01858	4.4
55.05504	11.5
56.96547	1.9
57.03421	1.8
58.92109	1.0
59.04982	4.6
59.27804	0.9
61.02916	2.0
67.05145	1.5
67.05494	45.9
68.09695	1.1
69.03399	7.3
69.07050	5.0
71.04968	7.0
79.05480	14.9
79.93090	1.1
81.07040	36.5
83.04968	4.5
85.02894	1.9
85.06525	6.1
85.13972	1.2
88.69913	0.9
91.05459	1.8
93.07021	13.4
95.04936	2.1
95.08583	100.0
97.05891	2.4
97.06512	62.5
98.97578	2.4
99.04422	2.0
99.08070	5.7
99.97902	4.7
105.07018	2.1
108.05701	1.4
113.09624	11.1
116.98588	1.7
123.08042	39.1
141.06891	1.2
141.09093	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
50.41298	1.1
53.00292	1.4
53.03931	6.0
54.81505	1.4
55.01862	8.3
55.05314	1.2
55.05512	22.4
56.96280	3.1
56.96560	81.3
57.03418	6.6
57.07062	6.9
59.04990	22.3
60.58281	1.4
60.80895	1.1
65.03931	3.5
67.02675	1.2
67.05495	10.4
69.03413	5.8
69.07058	41.3
71.04985	6.1
77.03909	1.4
79.05477	49.3
81.07040	100.0
83.04971	48.1
87.54352	1.3
91.05473	12.7
93.07027	80.3
95.04946	6.7
95.08581	33.1
97.06512	23.9
97.10118	2.0
97.99149	1.5
98.97569	46.8
105.06982	11.6
111.04456	2.3
111.08076	3.5
116.97320	1.5
116.98611	31.0
121.02856	7.2
121.06508	2.0
121.10130	59.9
123.08091	2.4
133.07584	1.4
134.01212	1.6
134.99638	29.0
139.03899	3.4
139.07516	2.5
139.11157	37.1
153.00728	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	139.1118
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
53.03930	1.4
55.01863	1.4
55.05512	8.2
56.96562	100.0
57.03416	1.3
59.04992	4.9
59.92295	0.9
62.04718	1.0
62.82954	1.1
65.03941	1.3
67.05482	5.0
69.03423	2.2
69.07064	9.7
69.64835	0.9
71.04982	1.1
79.05460	6.9
80.05709	1.2
81.07042	10.6
83.04965	9.7
85.02896	1.8
91.05448	5.8
93.07017	21.0
95.04943	6.6
95.08601	17.6
97.06510	18.0
97.99122	2.0
98.96925	2.1
98.97563	50.7
99.50092	1.2
103.53831	1.1
105.07023	5.4
111.04450	2.8
111.08126	2.4
112.42419	1.1
113.07799	1.2
116.00169	1.8
116.97251	1.6
116.98594	44.1
121.06444	1.4
121.10127	27.0
124.08738	1.2
134.99648	32.7
139.03871	2.7
139.07463	5.8
139.11169	28.4
139.84848	1.4
142.92747	1.1
144.25798	1.1
153.00688	7.0
158.01268	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
52.29341	0.2
53.03931	1.4
55.01860	0.2
55.05498	0.2
56.96547	1.4
57.90560	0.2
59.04984	0.2
59.29782	0.2
67.05496	2.0
68.85418	0.2
69.03409	0.3
71.01342	0.3
71.04954	0.5
71.09009	0.2
81.03404	22.5
83.04971	0.4
95.04939	2.5
95.08577	1.0
97.02857	0.3
98.97559	1.0
99.04483	0.4
99.97906	0.4
109.02866	100.0
110.03233	0.3
113.05974	0.3
116.98604	0.5
117.98938	1.0
119.01897	0.5
123.04403	2.9
123.08018	0.3
127.03916	0.5
134.99620	0.4
136.00015	0.4
137.02977	0.2
141.05479	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	139.1118
Annotation	Apocamphor
Peak:m/z	Relative Intensity
50.81416	0.4
51.20126	0.4
53.03926	1.0
53.13480	0.6
55.01856	3.3
55.05508	6.0
56.96561	100.0
57.03424	2.5
57.07060	2.2
59.04996	5.2
59.68950	0.4
65.03943	0.5
67.05501	5.8
69.03416	1.1
69.07057	16.3
70.27132	0.5
71.04973	2.2
71.95226	0.6
74.97597	0.8
76.56118	0.6
79.05478	15.4
81.07043	33.0
83.04975	17.0
83.08563	0.6
91.05454	5.4
93.07030	29.9
95.04942	3.1
95.08590	23.7
95.09199	0.8
97.06519	5.6
97.99186	3.7
98.97573	18.2
99.95947	0.5
105.06997	2.6
111.04433	0.6
111.08076	1.3
116.00220	2.9
116.97235	2.2
116.98605	19.2
119.08598	0.9
121.03967	0.6
121.10127	19.3
123.08063	0.7
134.99641	16.0
135.00624	0.9
135.07178	0.6
139.07524	0.9
139.11171	30.5
144.33179	0.5
153.00665	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	139.1117
Annotation	Apocamphor
Peak:m/z	Relative Intensity
53.03936	2.3
55.05502	18.7
56.96556	100.0
57.03425	2.7
57.07061	1.1
59.04990	38.5
65.03935	1.9
66.47216	1.2
67.05488	12.0
69.03426	9.7
69.07054	53.0
69.07408	2.6
71.04978	6.6
71.95254	2.4
76.56644	1.5
79.05469	24.4
81.07033	28.4
83.04974	10.7
91.05453	9.9
92.68188	1.2
93.07021	35.4
95.04935	9.0
95.08584	45.7
97.06515	27.9
97.99232	1.5
98.97558	47.7
103.03320	1.3
103.05468	1.6
105.06973	10.2
108.61419	1.3
109.10152	1.3
111.04409	3.0
111.08087	2.0
111.11707	1.9
116.00199	2.5
116.97315	1.2
116.98598	48.2
119.08582	1.7
121.02876	1.6
121.06490	1.4
121.10114	41.7
123.08067	1.8
134.99635	41.0
139.03946	3.6
139.07547	6.8
139.11145	49.5
139.12222	1.9
153.00674	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
50.05142	0.5
53.03911	1.2
55.01866	16.0
55.05261	0.8
55.05502	11.1
56.91542	0.5
56.96283	1.2
56.96556	33.8
57.03417	2.8
57.07054	0.7
59.04984	3.3
63.89066	0.6
67.05499	5.1
67.05790	0.7
69.03408	3.8
69.07054	68.5
71.04971	1.4
79.05475	18.5
80.71676	0.5
81.07040	17.0
83.04964	100.0
83.08618	1.0
85.02887	8.1
91.05460	4.2
93.07020	39.8
95.04923	3.1
95.08587	14.4
97.06504	15.7
97.10152	1.2
98.97559	13.7
105.07014	3.5
111.08049	0.8
111.11729	0.7
116.98599	11.4
121.10119	32.9
123.07914	0.9
134.99611	6.0
139.07526	6.7
139.11157	34.9
153.00687	1.1
153.18173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03931	1.0
54.81578	0.9
55.01869	13.1
55.05510	8.7
56.96560	47.2
57.03426	1.7
57.07069	0.8
58.76181	0.7
59.04996	1.0
67.05479	3.6
67.93027	0.7
69.03432	5.2
69.07059	65.4
71.04971	1.5
79.05482	16.5
81.03384	1.1
81.07039	16.4
83.04968	100.0
86.35852	0.7
91.05450	3.0
93.07032	31.0
95.04941	1.2
95.08603	9.4
96.36965	0.8
97.06508	10.0
97.10143	0.9
98.97566	26.8
105.06990	0.9
116.00168	0.8
116.97343	0.9
116.98607	23.8
121.10130	28.8
134.99612	12.8
139.11154	18.4
153.00681	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	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.01650	0.7
55.01867	9.3
55.05503	62.9
56.96549	3.2
65.03601	1.5
65.03926	32.1
65.83264	0.7
67.05141	1.2
67.05489	28.3
68.99773	16.3
69.03414	1.8
83.04963	100.0
93.03384	12.6
95.04936	9.5
102.63188	0.7
111.00809	6.5
111.03656	1.4
111.04420	39.9
121.02856	5.9
139.02823	0.8
139.03879	24.2
139.04919	1.5
151.80627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.04952	0.4
52.44217	0.5
53.03937	1.0
54.82029	0.6
55.01870	4.3
55.05494	5.3
56.96557	13.0
57.00796	0.4
63.01844	0.5
65.03932	7.5
67.01851	3.5
67.05491	5.5
68.99777	7.3
69.03421	1.1
81.03394	0.6
81.07073	1.0
83.04971	8.8
88.81658	0.6
93.03379	8.7
93.07014	2.1
95.04948	3.9
95.08580	1.1
97.02870	1.2
98.97571	6.2
105.04504	0.5
111.04424	16.2
113.79768	0.7
116.98624	4.3
121.02883	1.4
121.10069	0.7
134.99638	1.4
139.03885	100.0
139.11195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01861	7.2
55.05492	3.7
56.96560	83.0
57.03426	1.0
59.04980	3.8
67.05482	1.8
68.85462	0.8
69.03405	1.6
69.07063	11.2
71.04996	0.9
78.37296	0.9
79.05479	14.2
81.07043	8.2
83.04960	11.0
91.05460	27.2
93.07029	100.0
95.04946	14.3
95.08586	8.8
97.06516	40.1
97.99183	1.8
98.97569	36.1
101.77451	0.9
104.96459	0.9
105.04525	1.6
111.08056	2.0
112.59852	0.9
116.00187	3.5
116.69022	1.0
116.97269	1.4
116.98601	29.2
121.06477	3.7
121.10152	8.5
130.10045	1.0
134.99644	18.3
139.07573	8.0
139.11160	10.5
139.52481	0.9
153.00673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.03252	0.2
53.03943	1.2
55.05505	2.2
57.07067	5.4
67.05490	11.1
69.07054	6.5
79.05473	8.7
81.07038	100.0
81.34433	0.3
88.07571	0.3
91.05474	0.4
93.07022	2.3
95.04931	0.4
95.08584	55.4
107.35299	0.3
109.10123	2.7
113.12498	0.3
137.13232	14.2
142.15782	0.3
152.75793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.56602	0.2
51.77262	0.2
53.03946	0.5
54.81388	0.3
55.01868	0.3
55.05506	3.1
56.69493	0.2
57.07069	5.7
65.03933	0.5
67.05495	12.4
69.07060	6.8
71.08619	0.4
74.61894	0.3
79.05484	8.5
79.80834	0.3
81.07043	100.0
82.07391	0.4
91.05466	1.3
93.07016	3.8
95.04958	0.6
95.08591	58.0
104.89533	0.3
109.10159	3.0
119.08519	0.4
137.09616	1.5
137.13242	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	137.1325
Annotation	2,4(8)-p-Menthadiene
Peak:m/z	Relative Intensity
53.03942	2.2
53.09247	0.8
55.01865	4.3
55.05501	5.6
57.07069	8.0
67.05497	44.7
69.03425	2.2
69.07051	6.8
71.08606	0.9
71.48067	0.8
73.68475	0.8
79.05482	17.4
80.48623	0.9
81.07044	68.0
84.77633	0.8
86.45289	0.9
86.45819	0.9
91.05469	20.9
93.07033	26.7
95.04968	10.7
95.08591	100.0
98.44373	0.8
105.04502	1.1
107.04985	0.9
107.08595	5.7
109.06493	6.6
109.10143	17.0
117.07021	4.0
119.08575	12.7
122.07278	1.7
137.06003	6.6
137.09601	27.6
137.13239	21.7
147.08344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.30644	0.2
53.03934	1.3
54.81963	0.3
55.01859	0.4
55.05506	3.5
57.07068	5.8
65.03905	0.4
67.05492	13.2
67.05852	0.5
69.07053	6.4
71.08568	0.2
79.05479	11.4
80.06254	0.3
81.07040	100.0
91.05466	3.6
93.07019	6.0
95.04957	2.8
95.08587	57.2
107.08548	0.6
109.09351	0.6
109.10125	4.2
117.06995	0.4
119.08579	2.0
122.07267	0.6
135.11444	0.3
137.09589	5.9
137.13232	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
55.05490	1.0
65.03922	0.7
67.05484	1.0
76.53079	0.2
83.04958	1.5
83.20037	0.2
84.05288	0.2
84.30797	0.2
92.00072	0.2
92.04984	2.5
93.05753	0.4
94.06546	11.7
95.56198	0.2
96.04454	2.1
96.81166	0.2
96.91102	0.2
110.06027	9.3
111.04418	0.4
121.06516	0.3
133.70171	0.2
138.05478	100.0
139.03859	0.4
139.05786	0.3
154.04976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65563	0.3
53.03934	2.2
53.90967	0.3
55.01865	0.7
55.05499	3.1
57.07064	5.1
60.40139	0.3
64.33022	0.3
65.03926	0.7
67.05490	16.2
67.05855	0.7
69.07055	6.3
79.05054	0.6
79.05476	12.3
81.07037	100.0
82.07378	0.4
91.05457	10.2
92.36535	0.4
93.07022	14.2
95.04948	4.3
95.08583	60.8
97.88862	0.4
99.21933	0.4
105.96189	0.4
107.08598	1.7
109.06507	0.9
109.10146	6.0
111.46915	0.4
114.25839	0.4
117.07001	0.9
119.08566	7.5
137.09590	8.3
137.13234	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	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05502	3.9
57.07072	15.9
57.60081	0.6
67.05499	19.3
67.05849	1.4
69.07069	6.7
79.05466	8.8
81.07042	100.0
87.61534	0.8
92.08701	1.5
92.44106	0.7
93.07021	5.2
94.13750	0.8
95.08588	84.2
95.13212	0.9
107.08559	1.2
109.10145	6.9
137.13245	24.0
148.21696	0.7
149.65787	0.8
156.41016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	2,4(8)-p-Menthadiene
Peak:m/z	Relative Intensity
50.88622	0.3
52.20286	0.3
52.90255	0.3
53.03937	2.0
54.81984	0.3
55.01852	1.1
55.05508	5.3
57.07072	4.7
65.03918	0.4
67.05141	0.7
67.05497	18.4
67.98331	0.3
68.73711	0.3
69.07063	6.0
77.97816	0.3
79.05479	13.2
81.07045	100.0
91.05467	10.5
91.06010	0.6
93.07032	13.4
95.04964	4.5
95.08592	62.0
103.05520	0.3
107.08567	1.7
109.06505	1.4
109.10141	5.9
112.81110	0.3
114.39020	0.3
115.28671	0.3
117.07027	1.7
117.75934	0.3
119.08573	5.4
137.08612	0.3
137.09604	9.2
137.13243	12.4
140.19150	0.3
141.42465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	2,4(8)-p-Menthadiene
Peak:m/z	Relative Intensity
51.56938	0.8
53.03926	1.5
55.01871	1.6
55.05501	2.0
57.07072	9.4
67.05493	20.3
69.07052	4.9
79.05480	11.1
81.07038	100.0
82.07384	1.1
91.05469	6.8
93.07021	9.2
95.04914	3.7
95.08585	57.5
107.08630	1.1
107.19370	1.1
109.10126	7.8
119.08591	2.0
137.05991	1.4
137.09616	10.2
137.10524	1.6
137.13217	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	137.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.09247	0.8
55.01865	4.3
55.05501	5.6
57.07069	8.0
67.05497	44.7
69.03425	2.2
69.07051	6.8
71.08606	0.9
71.48067	0.8
73.68475	0.8
79.05482	17.4
80.48623	0.9
81.07044	68.0
84.77633	0.8
86.45289	0.9
86.45819	0.9
91.05469	20.9
93.07033	26.7
95.04968	10.7
95.08591	100.0
98.44373	0.8
105.04502	1.1
107.04985	0.9
107.08595	5.7
109.06493	6.6
109.10143	17.0
117.07021	4.0
119.08575	12.7
122.07278	1.7
137.06003	6.6
137.09601	27.6
137.13239	21.7
147.08344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.02369	0.2
53.03938	0.6
54.27489	0.2
55.05501	2.9
57.07068	5.6
65.03926	0.5
67.05499	13.1
69.07057	6.8
71.08619	0.3
72.04179	0.2
79.05477	8.3
81.07042	100.0
90.74719	0.2
91.05475	1.3
93.07030	3.5
95.04948	0.6
95.08590	58.4
107.08562	0.4
109.06486	0.3
109.10147	3.4
117.30068	0.3
119.08608	0.3
137.09613	1.6
137.13242	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03930	12.5
55.01875	4.5
55.05500	6.8
56.77913	2.9
61.01777	2.6
65.03922	3.5
67.05489	81.4
69.07025	4.6
79.05466	38.5
81.07037	49.9
91.05459	92.2
93.07022	100.0
95.04954	35.3
95.08584	84.9
105.04530	4.2
107.08555	5.7
109.06490	19.3
109.10130	41.5
117.06998	13.0
119.08563	53.6
126.59446	2.9
134.79033	3.5
137.05963	5.3
137.09590	76.8
137.13217	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03924	0.7
55.05499	1.8
67.05489	8.8
75.17979	0.3
79.05473	12.5
81.07035	2.0
91.05450	8.9
92.05791	0.4
93.07018	4.1
94.04169	0.8
95.04939	2.6
95.08584	100.0
98.48627	0.3
107.08557	0.5
109.06503	0.7
109.10146	2.6
118.13126	0.4
119.04895	2.1
119.08584	2.0
122.03573	1.7
124.79576	0.4
134.89374	0.4
137.05957	5.2
137.09587	15.7
137.10574	0.7
139.33464	0.4
149.37567	0.4
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	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03928	2.4
55.05507	27.3
55.66661	2.1
56.15832	1.7
57.07071	2.4
57.23897	1.9
67.05497	58.9
69.07034	3.5
71.08598	2.3
73.47363	2.0
78.52251	2.2
79.05479	16.2
81.07040	48.3
91.05467	31.3
93.07030	63.1
94.04142	4.6
95.04953	45.4
95.08582	100.0
107.08572	4.0
109.06442	8.1
109.10131	29.6
117.07008	5.1
119.08546	21.8
122.07275	2.8
136.12267	2.4
137.05956	14.1
137.09593	97.6
137.13242	4.4
148.88307	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
54.81432	0.7
55.05493	1.0
67.05489	15.2
69.03388	0.8
69.07024	0.6
79.05452	1.0
80.40839	0.8
81.07030	5.4
91.05465	4.7
93.07010	2.5
95.04934	1.0
95.08582	5.2
107.04943	7.0
109.06515	1.2
109.10138	21.1
117.06960	0.8
119.08549	10.8
121.06478	4.2
122.07262	49.4
135.08041	0.8
137.05965	1.5
137.09590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53469	3.2
53.03940	7.0
55.05511	9.3
64.27936	4.0
67.05493	87.5
79.05482	49.3
81.07041	44.6
83.62652	3.8
84.90085	4.5
91.05470	96.5
93.07024	100.0
95.04967	41.0
95.08582	85.5
100.98817	3.8
107.05659	4.2
107.08569	4.8
109.06514	28.7
109.10123	47.9
117.06999	18.3
117.82890	3.9
119.08577	63.7
122.07274	4.4
137.08533	5.3
137.09590	94.9
153.12489	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03921	5.3
55.01844	2.0
55.05271	1.6
55.05507	36.5
57.03404	1.3
67.05491	50.0
68.36906	1.2
69.07053	2.5
69.67580	1.2
71.04942	1.3
79.05477	17.0
79.41518	1.2
81.07039	20.8
86.50327	1.3
91.05457	39.2
93.07024	58.4
95.04948	47.4
95.08583	60.3
97.58504	1.3
105.04478	2.1
107.04923	1.5
107.08588	3.0
109.06512	23.5
109.10133	20.9
117.06984	9.7
119.08568	20.7
122.07233	2.1
137.05937	1.5
137.09593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03937	5.8
54.81890	1.2
55.01863	5.5
55.05505	12.0
57.07065	6.6
62.83377	1.0
65.03906	1.7
67.05141	2.5
67.05492	51.8
69.07045	7.6
79.05468	21.1
81.07038	68.6
91.05469	33.7
93.07023	39.3
95.04947	17.3
95.08583	100.0
103.05415	1.3
107.08600	5.3
109.06488	7.9
109.10147	24.9
116.55885	1.2
117.07010	5.0
119.08555	24.2
122.07243	2.5
123.03591	1.5
137.05974	8.3
137.09598	49.4
137.10583	2.5
137.13226	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03928	1.2
55.01867	0.9
55.05502	1.2
55.93508	0.7
56.96556	2.2
59.04992	0.7
60.73197	0.5
65.03914	1.1
66.04713	1.2
67.05504	8.8
69.03422	0.7
69.07050	0.9
79.05475	6.5
81.03381	1.4
81.07052	8.1
91.05471	13.3
93.07027	4.3
94.04169	18.7
95.04961	6.9
95.08598	8.4
107.04939	1.0
107.08573	2.7
109.06509	5.5
109.10124	4.4
119.04922	2.3
119.08571	3.7
122.03631	35.2
137.02370	3.5
137.05963	100.0
137.09593	16.2
142.62482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05138	0.1
52.62883	0.1
53.03924	0.8
55.01862	0.3
55.05506	8.2
56.03309	0.2
56.96559	2.6
57.03146	0.2
57.03429	8.7
59.04989	9.0
61.02633	0.3
61.02915	4.3
67.05486	0.2
69.03414	0.3
71.04974	7.4
72.40490	0.1
73.02888	0.3
73.06549	0.6
73.09215	0.2
75.04459	0.3
77.02772	0.2
81.07056	0.3
83.04462	0.3
83.04965	9.4
84.95991	0.3
85.02849	0.2
87.04408	0.2
91.05464	1.2
92.05787	1.0
94.04027	1.1
95.03767	0.3
95.04361	1.7
95.08622	0.2
97.02856	0.3
98.97554	1.5
99.02000	0.2
101.00745	0.2
101.05999	9.6
105.02045	0.2
109.02788	0.2
111.02062	0.2
116.98589	0.8
119.01810	1.1
119.03524	0.8
119.07034	0.2
120.03182	1.2
120.03905	6.2
120.05205	0.3
122.03637	0.2
128.02283	0.3
134.99712	0.2
137.05629	5.7
137.06612	100.0
138.04987	4.6
138.09157	0.2
146.99623	0.2
159.09760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03944	4.2
55.05507	33.0
57.59834	1.5
67.05497	40.2
69.07048	3.3
71.91887	2.0
76.56689	1.7
79.05468	13.3
81.07050	15.4
89.68739	1.9
91.05475	30.9
93.07027	51.0
95.04955	44.2
95.08581	62.6
98.06690	1.9
107.08583	4.1
109.06534	3.7
109.10143	23.4
113.73546	1.9
117.06975	4.5
119.08562	18.0
122.07243	3.0
137.06052	1.9
137.09598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	m-Methylbenzoate
Peak:m/z	Relative Intensity
53.03931	4.8
54.34735	0.7
55.01846	1.4
55.05489	1.0
56.96551	1.5
65.03929	1.1
66.04719	1.1
67.05492	14.8
69.23799	0.8
79.05473	11.5
81.07042	13.4
91.05457	27.6
91.71146	0.7
93.07023	53.3
94.04158	18.6
95.04955	15.2
95.08579	31.9
95.09190	0.9
99.24507	0.8
105.04487	3.2
109.06518	6.3
109.10153	9.3
119.04902	6.7
119.08559	6.2
122.03622	37.1
137.02444	3.6
137.05957	100.0
137.09570	16.3
141.01202	0.7
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
53.03918	0.5
55.05495	0.7
56.35707	0.5
64.12437	0.5
66.04697	2.7
67.05489	5.5
67.48935	0.5
76.56429	0.6
79.05481	5.2
81.07040	9.6
88.63985	0.5
91.05470	6.3
93.07014	4.3
94.04160	20.8
95.04932	1.3
95.08576	14.4
109.06494	2.4
109.10139	1.4
119.08563	2.1
122.03623	40.3
137.05954	100.0
137.09584	3.4
139.77890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01846	0.7
55.05501	4.6
56.96550	0.7
66.04708	1.6
67.05500	16.6
73.38477	0.8
79.05483	6.0
79.37003	0.9
81.07042	13.6
91.05464	7.0
93.07034	6.8
94.04168	18.8
95.04972	5.1
95.08583	11.2
106.28418	0.8
107.04921	1.2
107.08559	1.1
109.06507	5.2
109.10149	11.3
111.95331	0.9
114.36754	0.9
119.08566	1.2
122.02802	1.6
122.03635	32.8
122.07221	1.2
137.05963	100.0
137.09592	14.6
137.13225	1.1
156.05455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03940	1.3
54.98447	0.7
55.01857	1.5
55.05492	0.8
56.25144	0.6
57.07046	0.9
60.99753	1.0
62.25762	0.7
65.03918	1.0
66.04706	1.4
67.05489	12.8
67.19677	0.8
69.07040	1.3
78.96742	0.8
79.05465	7.0
81.03388	1.6
81.07039	14.6
81.81423	0.8
90.96734	3.2
91.05458	7.1
93.07027	7.1
94.04160	19.3
95.04955	6.0
95.08591	15.6
107.04954	1.4
107.08595	1.4
109.06491	5.0
109.10136	6.4
119.04922	1.2
119.08539	3.5
120.02303	0.8
122.03628	39.4
122.07241	1.5
137.05957	100.0
137.09581	16.2
137.13217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03922	0.7
57.07058	0.4
65.03925	0.7
66.04698	1.8
67.05488	2.4
69.07059	0.4
71.55077	0.4
79.05462	4.1
80.70699	0.5
81.06599	0.7
81.07037	15.5
83.62896	0.4
91.04952	0.5
91.05459	2.9
93.07017	1.0
93.52641	0.6
94.04157	17.9
95.04942	0.9
95.08594	7.0
101.24707	0.5
107.04950	0.7
109.10162	0.7
119.08546	0.6
122.02703	0.7
122.03618	37.4
137.05951	100.0
137.13217	2.7
138.06229	0.6
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
50.85620	0.6
53.03925	3.2
53.90773	0.7
55.05502	10.9
65.03934	1.6
67.05483	6.5
69.07053	4.6
73.22497	0.7
79.05061	1.4
79.05480	28.1
81.07036	8.6
91.05464	27.5
92.64298	0.9
93.07021	82.7
95.04945	9.3
101.18413	0.7
105.04504	1.1
105.07018	11.9
107.08580	100.0
109.06516	3.2
115.05424	5.8
117.07004	8.6
118.64683	0.8
119.06017	3.5
119.08552	4.6
120.09380	1.0
135.08066	6.5
135.11665	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	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70558	0.1
51.39418	0.2
55.12716	0.2
56.96554	0.4
59.04976	0.2
80.93732	0.2
91.05453	1.3
92.02448	0.3
94.04030	1.4
109.05065	0.2
114.37509	0.2
119.03523	5.6
119.04901	0.7
134.98892	0.2
135.72591	0.2
136.06161	100.0
137.04546	4.5
137.06630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.47292	0.1
59.02871	0.1
65.56200	0.1
73.97067	0.1
74.39235	0.1
91.05460	0.6
92.02441	0.1
94.04017	1.7
99.53547	0.1
103.92982	0.1
109.05101	0.3
114.78257	0.1
115.77943	0.1
119.03524	5.7
119.04847	0.2
121.18721	0.1
134.23463	0.1
136.06163	100.0
137.04561	3.8
137.06421	0.1
137.60382	0.1
144.47949	0.1
146.01996	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.73807	0.9
53.03928	5.6
55.05317	0.8
55.05511	15.9
57.07063	1.4
57.30750	0.9
63.55503	0.9
65.27126	1.0
65.41365	0.9
67.02747	1.0
67.05484	2.6
69.07056	4.5
79.05479	49.7
81.07048	6.0
91.04890	1.7
91.05461	43.6
91.55414	1.1
92.08648	1.2
93.07023	98.0
95.04948	13.7
105.04486	5.1
105.07024	17.5
107.08577	100.0
109.06487	7.5
119.06055	2.4
119.08556	8.7
120.09331	2.3
135.11673	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58435	0.6
53.03933	4.1
55.01859	4.5
55.05507	13.9
57.73698	0.8
62.70221	0.8
65.03934	3.0
66.21614	0.8
67.05484	2.0
69.07049	5.6
77.03944	1.1
79.05481	30.9
81.07042	1.8
84.09274	0.7
91.05463	55.9
93.07025	67.3
95.04955	14.3
95.08614	1.2
103.05499	1.0
105.04519	1.5
105.07011	22.3
107.04994	1.2
107.08584	100.0
109.06509	9.0
115.05433	1.6
117.06980	3.8
119.06052	5.6
119.08556	8.2
120.09340	4.4
124.36047	0.9
133.10060	0.9
135.08043	18.8
135.11682	34.8
149.45894	0.8
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	Unknow
Peak:m/z	Relative Intensity
51.07224	1.8
52.95915	1.9
53.03926	3.7
53.44720	1.8
53.50220	1.7
55.05508	3.4
68.89774	2.1
79.05471	20.5
88.11795	2.0
91.05456	37.3
93.07022	48.6
95.04951	8.7
105.06981	16.0
107.08579	100.0
109.06490	9.9
117.06952	3.6
119.06010	2.7
119.08567	12.6
135.08028	12.2
135.11687	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	5.3
55.05505	12.0
57.07057	1.7
57.72423	0.4
60.06929	0.4
65.03939	0.6
67.05502	2.1
67.15033	0.4
69.07052	3.5
77.03911	0.6
78.34012	0.4
79.05474	53.2
81.07047	3.0
88.28329	0.4
91.05462	35.5
92.64803	0.4
93.07023	100.0
95.04943	12.2
95.05510	0.6
105.04514	3.3
105.07014	11.6
106.07789	0.6
107.08577	92.6
109.06503	5.5
115.05435	0.6
117.06994	1.8
119.06065	2.1
119.08554	5.4
120.09363	0.8
135.08043	2.6
135.11674	39.6
136.02228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	1.7
55.01865	2.8
55.05510	8.6
57.80703	0.6
65.03931	1.1
67.05479	3.9
69.07043	4.3
69.07374	0.6
77.03878	0.7
79.05474	27.3
81.07036	4.3
91.05459	30.2
93.07025	67.1
95.04934	7.9
99.50924	0.6
101.36677	0.6
105.04475	1.5
105.07010	12.9
107.04989	1.2
107.08581	100.0
108.08899	0.7
109.06507	5.6
115.05454	8.3
117.07006	13.0
119.06060	3.1
119.08549	4.0
135.04427	1.2
135.08044	21.0
135.11671	38.0
136.02132	1.2
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	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
54.06849	0.7
55.01842	0.8
55.05505	9.8
57.07062	0.8
67.05479	1.9
69.07053	4.1
79.05474	41.7
81.07050	3.6
82.85799	0.7
91.05465	27.7
93.07024	82.2
95.04960	8.2
105.07015	9.8
107.08577	100.0
109.06518	5.3
115.05465	2.7
117.06968	1.7
119.05991	1.2
119.08564	1.6
135.08037	7.3
135.11674	29.8
136.02151	1.0
143.66888	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01868	1.4
55.05499	9.9
65.03936	1.0
67.05490	2.6
69.07050	4.3
76.56359	1.1
79.05483	21.7
81.07072	2.5
84.64568	1.0
91.05468	46.8
92.09254	2.3
93.07028	66.2
95.04965	9.4
97.66491	1.0
105.07010	14.7
107.08582	100.0
109.06519	6.7
115.05460	4.4
117.06982	5.5
119.06042	2.3
119.08568	6.8
120.09306	4.3
135.07988	7.9
135.11667	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.05511	12.6
57.07095	1.3
63.30935	1.0
65.03938	1.0
66.14066	0.9
67.05476	2.2
69.07061	5.2
77.03925	1.6
79.05478	39.3
79.05907	2.3
81.07040	2.1
91.04894	1.4
91.05471	47.4
93.07026	88.6
94.76400	1.2
95.04948	14.3
100.42452	1.2
105.04491	2.8
105.07028	16.4
107.08585	100.0
108.08887	1.6
109.06507	7.4
117.43822	1.2
119.06059	1.8
119.08573	6.9
120.09374	2.6
128.79649	1.1
135.11688	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.05515	6.9
60.74651	0.8
65.03938	1.3
67.05478	0.9
69.07045	1.6
75.74620	0.8
79.05476	12.9
81.07025	1.2
91.05463	30.4
93.07025	54.4
95.04945	5.5
105.07024	14.0
107.08578	100.0
109.06490	5.9
115.05485	1.0
117.07043	1.3
119.06060	1.5
119.08551	10.1
120.09370	1.2
125.94859	0.9
126.23733	0.9
134.37602	0.9
135.08022	6.7
135.11670	41.8
142.36047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
54.11671	0.9
55.05505	14.4
63.76899	1.0
65.03945	1.1
67.05471	1.6
69.07053	5.3
77.62232	1.3
78.65453	1.1
79.05476	43.9
81.07041	5.4
91.04884	1.8
91.05460	44.1
93.07021	100.0
95.04960	14.0
99.54427	1.2
105.04501	2.2
105.07029	12.4
106.97878	1.1
107.08578	92.8
109.06496	5.8
119.06041	1.4
119.08548	5.9
119.26288	1.3
135.08000	5.2
135.11673	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.01857	0.9
55.05500	4.4
58.42542	1.0
68.82117	1.0
71.30092	1.3
79.05476	16.6
91.05467	34.9
93.07030	52.5
95.04939	5.5
105.04513	1.5
105.07020	15.6
107.08587	100.0
108.08888	1.3
109.06507	8.3
116.45818	1.1
117.06998	4.3
119.06012	2.0
119.08593	10.0
120.09333	4.7
130.41849	1.3
135.08076	4.8
135.11674	60.8
141.87865	1.1
145.70151	1.2
150.23087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	6.6
55.05503	15.1
57.07075	1.5
63.04107	0.9
67.05502	1.7
69.07060	6.5
74.75821	0.7
77.03922	1.6
79.05483	27.5
79.86050	0.8
81.07051	5.1
89.97224	0.8
90.15730	0.8
91.05469	49.5
93.07030	82.0
94.07845	1.1
95.04952	13.0
105.04527	3.2
105.07024	23.1
107.08585	100.0
109.06506	8.8
119.06064	5.4
119.08559	8.9
120.09354	4.3
135.11679	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	4.2
55.05510	10.0
65.03943	1.7
65.45877	0.9
67.05482	1.5
67.26259	1.0
69.07047	2.0
79.05477	34.0
81.07052	2.8
89.31261	1.1
91.05464	42.7
93.07026	81.6
95.04943	9.8
100.31566	1.5
105.04491	1.4
105.07021	15.7
107.08577	100.0
108.08894	1.2
109.06501	6.8
114.37634	1.1
115.05416	1.5
117.07002	2.0
119.06046	2.6
119.08531	8.5
120.09373	2.6
128.52274	1.2
129.20346	1.1
133.10138	1.4
135.08037	20.5
135.11674	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.90779	0.8
53.03927	7.1
54.81057	0.9
55.05502	14.6
64.08242	1.0
65.03918	1.4
67.05483	4.0
69.07050	4.0
79.05474	68.5
80.16698	1.0
81.07027	4.3
91.05460	39.9
92.05779	1.2
93.07023	100.0
95.04943	14.4
97.50109	1.1
105.04469	5.0
105.07021	10.6
107.08578	80.2
109.06493	7.2
115.05455	6.7
117.07008	4.6
119.06071	1.2
119.08547	2.4
135.08031	15.3
135.10698	2.7
135.11662	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55046	1.0
53.00287	1.2
53.03945	4.9
55.05504	12.7
55.32796	1.0
67.05508	1.2
68.78210	1.0
69.07056	5.6
79.05478	20.1
91.05467	42.5
93.06422	1.7
93.07027	62.3
95.04964	7.7
105.07026	20.1
107.08584	100.0
109.06493	9.7
119.06087	1.7
119.08566	3.0
120.09315	1.4
123.84270	1.2
131.36009	1.3
135.08044	6.4
135.10667	1.5
135.11687	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01865	1.5
55.05507	9.5
65.03934	1.0
65.12715	0.8
67.05489	6.0
68.18758	0.8
69.07046	4.5
79.05479	26.4
81.07039	7.1
91.05466	32.6
92.08946	2.2
93.07029	71.7
95.04962	6.4
105.07029	13.4
106.07798	1.0
107.08584	100.0
109.06493	5.6
115.05470	6.4
117.07010	9.2
117.07728	1.1
119.06074	1.5
119.08570	6.4
120.09341	1.1
133.10083	1.1
135.08015	7.4
135.11679	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.85887	1.0
53.03945	2.2
54.82275	1.6
55.05503	9.5
57.07075	1.3
62.29317	1.1
67.05495	1.7
67.99966	1.2
69.07061	2.8
72.19451	1.1
79.05473	20.6
81.07066	4.9
91.05470	29.5
93.07028	65.5
95.04937	5.6
105.07006	14.8
107.08585	100.0
107.99544	1.2
109.06538	2.8
115.05492	2.0
117.06998	2.6
119.05965	1.4
119.08563	6.2
120.09377	2.7
135.08015	6.5
135.11678	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.78929	0.4
55.05505	0.9
65.03927	0.4
65.07331	0.4
68.34715	0.4
79.05471	2.2
91.05468	9.9
93.07027	2.9
95.04965	0.7
103.05447	0.5
105.07021	28.7
107.08589	0.5
115.05449	3.0
117.07014	4.4
118.07781	4.9
127.67435	0.6
131.08566	4.4
133.10118	100.0
134.10397	0.6
138.17514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.32113	0.8
53.03921	1.2
54.81553	1.3
55.05503	3.9
61.47730	0.8
62.53273	1.0
67.05495	0.9
79.05479	5.2
88.02158	0.9
91.05460	27.1
93.07017	6.7
95.04965	1.3
103.05457	1.7
105.07014	100.0
115.05408	2.4
117.07006	4.8
118.07783	6.1
131.08528	7.7
133.06520	2.1
133.10107	75.5
134.10483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03953	2.5
54.87425	1.3
55.05510	6.7
61.60515	1.1
67.05493	1.6
68.21601	1.0
69.07057	4.9
77.17854	1.1
79.05479	34.5
81.07059	2.2
82.53784	1.3
83.63911	1.1
91.05464	47.9
91.06013	2.4
93.07026	66.8
95.04967	6.6
105.07020	17.8
107.08583	100.0
109.06534	7.7
115.05427	15.2
117.07011	15.0
119.06078	4.4
119.08575	6.6
135.08040	55.8
135.11681	48.9
145.05458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
52.89641	0.8
53.03926	5.2
55.05505	7.9
57.07047	0.8
64.73556	0.7
65.03915	1.8
67.05476	4.0
69.07054	2.0
73.84361	0.7
77.53233	0.9
79.05474	42.1
80.03506	1.0
81.07024	4.9
87.18514	0.8
87.64466	0.8
91.05460	54.3
93.07018	77.2
95.04932	8.4
105.07005	17.0
107.04987	1.5
107.08574	100.0
109.06492	8.6
110.69611	0.9
115.05437	20.0
117.07001	18.4
119.06026	5.0
119.08567	5.7
120.09316	1.0
126.89554	1.0
135.08029	62.7
135.11665	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.49374	0.7
52.62172	0.8
52.69841	0.8
55.05490	5.2
56.96551	2.1
60.30749	0.7
67.05481	2.2
79.05477	6.4
79.50444	0.7
85.09344	0.8
85.94239	0.8
88.02249	1.0
91.05457	48.4
93.07021	3.9
103.05450	1.2
105.02130	0.9
105.07010	100.0
117.07020	1.9
118.07794	3.6
131.08533	6.2
133.10100	59.1
135.61957	1.0
148.66797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.05205	0.3
51.12654	0.3
51.41341	0.3
53.03939	0.5
54.43767	0.3
55.05508	4.0
63.50777	0.3
65.14644	0.3
67.05487	0.5
67.82274	0.4
70.35944	0.4
78.06385	0.3
78.69113	0.3
79.05482	4.1
82.67883	0.4
83.72233	0.4
88.02174	0.3
91.05465	24.2
93.07013	5.9
95.04945	0.6
103.05424	2.3
105.07016	100.0
106.07361	0.4
115.05424	0.6
117.07017	0.8
118.07771	0.8
131.08546	1.7
133.06386	0.5
133.10107	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81535	0.7
55.05498	5.6
59.19625	0.5
67.05476	2.5
79.05481	6.8
91.05459	41.8
92.06236	0.5
93.07017	3.5
95.04945	1.0
101.99091	0.5
103.05439	2.9
105.07009	100.0
114.67048	0.5
115.05431	2.6
117.07011	3.3
118.07784	3.6
131.08542	8.0
133.06479	1.1
133.10100	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.25105	0.6
54.95978	0.6
55.05510	5.7
58.70481	0.6
62.87593	0.7
67.05499	1.1
77.58585	0.8
78.59339	0.7
79.05481	5.8
80.57879	0.7
88.02211	0.9
89.00249	0.9
91.05463	35.2
93.07019	4.0
98.00731	1.7
103.05442	3.0
105.07018	100.0
115.05453	1.8
116.57198	0.9
117.07001	4.6
118.07796	3.8
131.08562	10.1
133.06494	1.2
133.10112	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.00303	0.2
54.81774	0.2
55.05510	0.2
60.11656	0.2
63.72499	0.2
63.86358	0.2
79.05478	3.1
91.05466	4.2
93.07021	7.8
95.04964	0.5
103.05427	1.6
105.07012	100.0
106.07357	0.5
115.05460	0.4
116.43385	0.2
117.06995	1.2
118.07750	0.2
131.08551	0.9
133.06477	0.5
133.10104	38.7
151.00388	0.2
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	Tetralin
Peak:m/z	Relative Intensity
55.05502	3.7
56.22015	0.6
56.52528	0.5
67.05502	1.0
79.05472	6.2
84.96460	0.6
91.05468	28.9
93.07030	5.2
95.04936	1.3
98.00765	1.1
99.55459	0.7
103.05440	3.5
105.07019	100.0
107.08593	1.0
108.64681	0.7
115.05440	1.1
115.98389	0.9
117.07011	5.9
118.07802	9.5
131.08531	8.8
133.10118	55.7
147.77618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07091	0.8
56.96556	2.0
67.79802	0.8
76.51571	2.0
84.42805	0.9
85.04805	0.9
85.52113	1.4
87.00453	11.3
87.50574	1.0
88.00464	6.8
88.02361	1.2
89.37072	0.9
91.05464	69.3
96.00972	2.0
97.00972	14.1
97.02842	1.5
98.51248	1.1
99.51236	3.6
103.05444	9.0
106.01522	1.4
113.96387	4.9
115.05448	10.0
115.96425	3.9
116.05399	1.3
116.06225	29.4
128.06178	1.4
129.06993	11.0
131.04852	1.1
131.08548	100.0
131.97401	3.8
133.97473	1.6
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	Leucine
Peak:m/z	Relative Intensity
54.92160	0.2
56.66667	0.2
60.58733	0.3
62.32717	0.2
68.37174	0.2
71.06543	0.3
72.93784	0.3
86.09693	100.0
86.81803	0.3
86.97157	0.3
87.10037	0.3
89.23495	0.3
101.46939	0.2
102.13296	0.3
132.10188	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03937	0.7
55.01861	1.9
55.05503	1.4
56.96546	1.8
57.03416	0.6
66.55221	0.3
67.55602	0.3
69.03410	0.6
69.07059	1.3
69.35266	0.3
71.14544	0.3
72.93766	1.5
73.02895	0.5
76.39880	0.3
79.05474	9.8
87.10021	0.4
88.02196	3.1
89.00224	0.6
91.05462	8.3
93.07030	3.6
95.04952	2.1
97.02866	0.4
97.90845	0.3
98.00777	0.7
98.05161	0.3
99.00576	0.6
99.18604	0.3
100.02521	0.3
103.05450	6.4
105.07011	100.0
107.04953	0.5
110.28425	0.3
115.05408	3.4
117.06987	1.5
117.95918	0.5
118.07787	1.5
118.71581	0.3
131.04857	0.6
131.08514	2.5
133.06468	64.2
133.10106	25.0
150.96892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44580	0.2
53.03934	1.7
56.96545	0.3
64.33340	0.3
72.93789	0.4
76.51553	1.1
77.03897	0.4
85.02937	0.4
85.52083	0.8
87.00449	10.2
87.50555	0.3
88.00465	2.1
88.02343	0.4
91.05463	4.1
95.04942	3.9
96.00957	1.7
96.44602	0.3
97.00976	3.4
97.02888	0.4
99.51221	0.6
102.04630	0.5
103.05447	100.0
105.04502	0.6
106.01500	0.4
108.51782	0.4
113.96397	3.1
114.23641	0.3
115.96425	0.6
116.06195	1.5
131.04901	19.7
131.08540	6.7
131.97403	2.3
133.97440	0.5
135.21187	0.3
140.92929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03942	2.3
56.96540	0.4
61.02443	0.3
63.55997	0.3
77.03898	0.5
87.00455	8.6
87.50600	0.4
88.00470	4.3
88.02319	0.3
91.05471	4.1
91.98780	0.3
95.04953	6.1
96.00979	2.2
97.00986	6.8
98.51239	0.8
102.04671	1.6
103.05454	100.0
105.04427	1.1
106.01511	1.5
107.44852	0.3
113.96400	2.6
115.96431	1.4
116.06230	0.7
116.97188	0.6
128.99619	0.3
129.06970	0.3
131.04907	30.8
131.08545	9.2
131.97380	2.5
133.97466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
56.96560	0.7
60.04507	0.7
65.03925	1.0
71.05006	0.5
72.93776	2.5
74.99174	0.4
85.52102	0.8
87.00450	7.3
88.00471	2.3
88.02366	0.6
90.73634	0.6
90.94775	0.5
91.05463	71.5
92.66487	0.5
96.00961	3.3
97.01000	6.5
97.02888	0.5
98.51272	0.9
99.51259	0.8
100.84312	0.6
103.05465	7.1
105.07021	2.0
112.04898	0.5
113.96377	2.4
115.05448	9.7
115.96380	0.6
116.06224	35.2
119.55637	0.5
128.06197	2.2
129.06989	9.3
130.07814	0.7
131.08548	100.0
131.97433	3.1
133.06509	0.6
143.96259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
50.42788	0.5
56.05025	0.5
56.96554	0.5
57.07071	32.8
57.98288	0.6
61.16934	0.5
62.03155	0.5
67.05457	0.6
69.03413	2.5
69.07057	0.8
74.09705	28.7
77.99895	0.7
79.21059	0.5
84.04494	26.1
84.08129	2.7
84.92316	0.5
87.00452	30.7
87.00987	1.0
91.05464	3.1
94.00755	0.6
96.00964	7.9
96.13619	0.5
98.51228	3.5
98.51793	0.5
112.07603	10.8
113.96397	9.5
129.06999	0.6
130.04988	3.5
130.06499	6.4
130.08636	4.2
130.15901	100.0
131.08580	4.5
131.16200	0.6
131.97420	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	131.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
59.14263	0.8
59.83988	0.8
62.60312	1.1
65.09669	0.9
65.37089	1.0
87.00454	25.5
87.50547	1.0
88.00474	5.8
91.05461	10.6
95.04984	3.3
96.00969	8.0
97.00966	12.3
98.51224	4.8
99.51237	1.4
103.05451	100.0
105.04521	1.0
113.96376	11.3
115.96401	5.2
116.06200	4.4
118.87234	1.0
129.07019	2.3
130.84459	1.1
131.04906	30.0
131.08554	26.6
131.97447	8.6
133.97356	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.00307	0.6
53.03944	0.6
54.75955	0.5
55.01864	0.6
55.05494	2.2
57.03423	2.2
57.07047	0.8
59.76056	0.5
67.05492	35.7
69.03402	1.0
69.07054	49.5
71.04607	0.8
71.04975	14.4
76.08885	0.5
79.05482	3.8
81.03377	1.3
81.06602	0.8
81.07045	18.1
83.04964	0.8
83.08608	0.9
83.31927	0.5
84.08111	1.9
85.06528	7.3
99.08054	1.0
107.05112	0.6
107.08551	1.0
109.02842	1.1
109.06492	3.4
109.10139	100.0
110.10535	0.6
127.03900	2.0
127.07510	1.0
127.11183	7.0
127.12096	0.6
127.12424	0.5
128.06200	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	129.07
Annotation	Naphthalene
Peak:m/z	Relative Intensity
53.75798	0.6
54.95055	0.6
55.05506	1.5
56.76659	0.6
69.07061	1.0
71.04977	3.7
83.04950	0.7
83.08613	3.2
84.04497	1.0
86.00691	5.1
95.01221	1.1
103.05459	0.8
111.96835	1.8
127.05480	0.9
128.06201	39.2
129.07001	100.0
129.97949	1.1
145.06442	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	130.05
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
51.11753	0.3
54.81830	0.3
56.05029	4.6
56.96540	0.8
66.64193	0.3
70.06580	14.4
71.04979	0.6
81.68835	0.3
84.04493	100.0
84.08131	17.9
84.08516	0.5
85.02894	0.7
90.22797	0.3
95.96191	0.3
102.05562	0.8
111.72944	0.3
112.07582	1.4
112.08727	1.6
130.04985	12.0
130.08632	6.5
130.09586	0.6
135.54237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1118
Annotation	Sulcatone
Peak:m/z	Relative Intensity
51.47750	1.6
53.00291	3.2
54.82127	1.6
55.05511	2.4
58.48015	1.7
67.05492	3.3
69.07049	2.3
71.04976	100.0
79.05455	1.9
81.03384	3.2
81.07030	11.9
85.06516	12.3
99.99261	2.2
107.24277	2.1
109.06434	2.1
109.10130	10.0
114.37531	2.1
120.98869	1.8
127.11173	49.1
146.14201	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
50.35463	3.9
53.00317	5.2
53.72297	4.4
57.00517	4.2
61.00961	4.5
67.05493	30.8
69.07066	55.3
70.02573	4.2
71.04982	93.8
79.05527	6.4
81.07050	9.1
92.08689	13.0
99.75460	5.0
109.10152	100.0
127.11179	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40556	0.3
54.11843	0.4
54.81894	0.6
55.05498	2.3
55.41809	0.4
55.42141	0.4
57.03436	1.1
59.68240	0.4
63.19857	0.4
64.33685	0.5
67.05493	38.8
69.07055	63.1
71.04983	10.2
79.05483	3.7
81.03388	0.8
81.07037	15.9
85.06540	8.1
85.07024	0.8
93.02062	0.5
107.08548	1.1
109.06477	0.9
109.10142	100.0
127.03921	1.0
127.11175	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03939	0.5
55.01846	0.5
55.05502	1.1
57.03419	1.1
59.04982	0.6
59.53824	0.4
67.05497	33.7
69.03415	0.8
69.07058	59.2
71.04980	15.1
77.07839	0.4
79.05463	2.0
81.03409	1.0
81.07046	11.9
83.04969	3.2
83.08623	0.5
85.06535	2.9
91.05305	0.6
91.12195	0.5
101.84470	0.5
107.08613	0.9
109.06503	0.8
109.10145	100.0
117.07013	0.6
127.03950	1.1
127.07503	0.9
127.11187	6.2
148.46094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
52.63037	2.1
53.00290	3.3
53.03921	3.0
54.85736	2.7
55.01865	3.0
58.60857	2.4
67.05489	6.6
69.03394	5.8
69.07049	5.1
71.04610	4.4
71.04980	100.0
79.05483	15.1
81.03398	6.1
81.07052	30.1
85.06534	28.6
88.25047	3.0
92.09323	3.5
99.08115	2.9
109.02846	6.5
109.06503	6.3
109.10144	12.5
127.03909	4.6
127.11179	55.4
139.27657	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
52.90545	1.8
53.03940	2.0
54.81940	1.3
55.05505	3.2
59.52085	1.6
67.05495	36.2
69.03407	7.2
69.07054	41.7
71.04978	41.5
79.05488	17.9
80.43062	1.6
81.03397	7.7
81.07040	40.5
83.04969	2.5
84.01537	1.6
85.06537	22.8
93.02080	7.0
107.92609	1.7
109.06499	9.6
109.10143	100.0
118.68623	1.5
127.03908	7.7
127.07594	2.3
127.11163	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1118
Annotation	Sulcatone
Peak:m/z	Relative Intensity
50.40556	0.3
54.11843	0.4
54.81894	0.6
55.05498	2.3
55.41809	0.4
55.42141	0.4
57.03436	1.1
59.68240	0.4
63.19857	0.4
64.33685	0.5
67.05493	38.8
69.07055	63.1
71.04983	10.2
79.05483	3.7
81.03388	0.8
81.07037	15.9
85.06540	8.1
85.07024	0.8
93.02062	0.5
107.08548	1.1
109.06477	0.9
109.10142	100.0
127.03921	1.0
127.11175	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	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
50.35530	0.4
51.19587	0.4
51.64223	0.3
53.00284	0.4
53.03939	8.0
55.01868	4.3
55.05497	2.2
56.96564	0.4
57.03419	2.5
57.07063	1.9
61.47141	0.4
63.93337	0.4
65.03922	2.3
67.05489	14.1
67.93549	2.1
69.03414	22.7
71.01332	0.7
71.04977	8.3
79.05472	31.7
81.03399	28.5
81.07037	100.0
83.01328	0.7
83.04966	4.5
85.02875	1.8
85.06525	50.0
85.94606	0.5
91.05442	3.9
92.97431	0.5
94.04166	4.6
95.04940	0.5
97.02861	7.2
99.04440	2.8
99.08042	0.6
107.04923	2.8
109.02862	14.9
109.06499	78.5
110.43018	0.4
111.04441	0.5
127.03893	13.8
127.07527	23.7
127.11191	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	127.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
60.12379	2.7
63.55566	2.9
67.05486	12.5
68.11197	3.1
69.03408	3.2
69.07047	6.2
71.04980	100.0
79.05484	6.9
80.67758	2.7
81.03382	6.7
81.07033	31.0
85.06541	32.6
92.08721	6.6
106.07201	3.2
109.10156	13.7
109.21237	3.1
127.03941	5.4
127.11171	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.00288	1.6
53.03935	1.9
55.01850	1.1
55.05504	2.6
55.86406	0.9
57.03424	1.3
57.07059	2.1
59.01318	1.2
66.22115	1.3
67.05496	36.8
69.03418	6.3
69.07058	49.5
71.04979	43.3
79.05466	9.1
81.03403	5.0
81.06595	2.1
81.07041	35.8
83.04955	9.5
84.01558	1.6
85.06530	40.0
93.02065	2.0
99.04407	1.1
109.02876	5.1
109.06504	6.7
109.10151	100.0
127.03913	6.5
127.07538	1.9
127.11171	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	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08744	0.3
51.17788	0.3
53.03933	2.1
54.67759	0.3
55.01884	0.3
55.05505	0.7
57.03432	0.7
57.07055	0.4
65.03936	1.2
67.05494	14.6
67.05850	0.6
67.93599	0.4
69.03418	4.0
69.07069	0.5
71.04977	0.7
79.05050	0.6
79.05478	9.3
81.03405	3.1
81.04169	0.3
81.07040	26.8
83.04980	3.4
85.06531	100.0
90.97121	0.3
95.00714	0.3
95.04975	0.4
96.08067	0.3
97.02826	0.4
109.02865	2.6
109.06515	4.8
109.10137	0.7
127.03893	2.8
127.06672	0.4
127.07538	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	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03945	1.8
55.01880	0.3
55.05504	1.7
57.03433	0.5
57.07071	3.9
64.24051	0.2
64.33033	0.2
65.03918	1.9
67.05494	18.8
67.37160	0.2
69.03419	1.6
69.07057	0.4
71.04961	0.4
75.89407	0.2
76.17071	0.2
79.05475	16.9
81.03402	0.5
81.07041	60.8
81.22533	0.2
83.05005	0.9
85.06531	100.0
97.06518	1.1
109.02841	1.4
109.06498	10.5
109.10142	0.4
112.70905	0.3
117.58289	0.2
127.03903	1.6
127.07535	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	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	4.9
54.81736	0.6
55.01859	2.1
55.05502	2.6
57.03434	3.2
57.07068	1.0
65.03928	0.8
65.17580	0.4
67.05495	15.8
67.63770	0.5
67.93553	1.0
69.03417	12.5
71.04988	2.4
79.05478	14.2
81.03397	17.9
81.07043	49.2
81.75277	0.5
83.04988	1.0
84.01577	0.7
85.06531	100.0
85.35078	0.5
85.94578	0.7
92.08708	0.6
95.26669	0.5
97.02878	2.6
99.04457	1.2
99.08070	0.7
109.02859	10.0
109.06512	19.4
127.03896	49.3
127.07520	13.7
135.81940	0.4
137.42888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0754
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	3.2
53.86777	0.2
55.01863	1.1
55.05503	1.6
57.03436	1.9
57.07071	4.5
59.92740	0.2
64.17265	0.2
65.03613	0.2
65.03911	2.1
67.05489	16.8
67.05853	0.6
67.25569	0.2
67.93557	1.0
69.03061	0.4
69.03415	6.1
71.04965	1.1
79.05474	20.2
81.03401	6.6
81.07034	63.7
83.04964	1.4
83.61297	0.2
85.02872	0.4
85.06525	100.0
86.06793	0.2
91.05463	0.3
93.86152	0.2
95.04948	0.4
95.97067	0.2
97.02872	0.3
97.06512	1.3
99.04427	0.3
109.02866	4.2
109.06493	10.6
113.39558	0.3
127.03900	6.3
127.07529	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
52.09056	0.4
52.57715	0.4
53.00293	1.1
53.03939	16.1
53.62145	0.4
54.17575	0.5
55.01866	12.2
55.05490	0.8
57.03418	1.4
60.94773	0.5
61.36600	0.5
66.78118	0.5
67.01851	0.6
68.99770	0.9
69.03414	100.0
71.04955	4.5
76.76885	0.5
79.05475	0.7
79.66946	0.6
81.03396	37.4
81.07043	2.2
83.01314	2.3
85.02900	1.3
85.06541	4.0
92.08755	0.8
95.01269	0.8
97.02873	9.3
99.04429	13.7
99.05485	0.7
107.26920	0.6
109.02859	48.9
109.06495	1.1
110.02368	0.7
127.03889	68.3
127.04937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03940	3.7
54.46350	0.3
54.54629	0.3
55.01859	2.2
55.05502	0.3
56.30045	0.3
58.76450	0.3
59.36765	0.3
66.67899	0.3
67.01835	1.7
67.93536	0.4
68.99776	0.9
69.03416	16.8
71.04961	0.8
79.05495	0.4
80.31471	0.4
81.03406	17.1
81.07040	0.6
84.08118	0.4
85.06533	0.9
86.76579	0.3
97.02883	2.5
99.04436	5.7
101.32040	0.4
109.02863	17.2
109.06519	0.7
127.03895	100.0
128.04214	0.5
142.38324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01869	6.8
55.05271	0.4
55.05508	6.1
55.22817	0.4
57.03431	0.4
59.04982	0.9
60.95830	0.6
65.03928	0.7
67.05470	1.0
69.03416	24.2
69.07040	2.6
69.50701	0.5
79.05054	0.8
79.05476	13.6
81.07042	9.2
83.04964	12.3
83.08570	0.5
88.57025	0.4
91.05458	8.0
95.04937	0.7
95.08582	4.6
96.97256	0.4
97.06519	3.0
97.10153	0.9
105.07026	6.0
107.04965	0.5
107.08575	32.1
109.06499	3.3
110.07285	3.6
119.05979	1.5
123.08058	0.7
125.05981	3.6
125.09605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.25714	1.3
55.01867	2.7
55.05508	19.4
69.03412	8.1
69.07054	2.9
71.08340	1.9
79.05483	31.3
81.07040	29.0
83.04968	46.5
83.08594	10.4
91.05462	23.6
92.08923	2.3
96.10553	1.6
97.06507	7.3
98.19942	1.6
103.03255	1.7
105.07002	10.2
107.08587	100.0
109.06483	6.4
119.05994	3.1
125.09611	53.9
140.48228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04636	1.3
50.05946	1.4
53.00306	2.2
54.00474	1.3
55.01863	3.9
55.05504	24.9
57.03423	2.5
59.04961	1.7
60.95824	3.5
65.03918	1.9
67.05481	7.8
69.03414	16.5
69.07059	6.4
71.04922	1.9
79.05476	33.9
79.05917	2.9
81.07045	21.9
83.04964	67.2
83.08589	8.9
90.02025	1.7
91.05454	25.6
95.04943	1.7
95.08592	2.3
97.06496	9.4
100.02779	1.6
105.07017	12.7
107.08576	100.0
109.06479	8.0
119.06038	3.0
125.05952	3.1
125.09602	62.8
128.64497	1.7
129.61385	1.5
137.14705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34790	0.4
51.68045	0.4
52.89746	0.3
54.15594	0.4
63.96843	0.3
65.46740	0.4
67.71657	0.4
76.44306	0.4
79.91125	0.4
82.01413	0.5
82.99834	0.5
100.02449	0.8
101.00864	20.6
101.02545	3.9
118.03500	0.7
119.01898	100.0
119.03639	2.5
137.02936	39.3
142.03496	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	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37735	1.6
50.90121	1.5
52.58648	1.5
54.29438	1.9
54.97692	1.8
55.01867	2.4
55.05507	28.1
56.89595	1.8
57.82291	1.6
58.31505	1.7
67.05494	2.4
69.03419	31.9
69.07050	8.0
75.75773	1.7
79.05476	28.0
81.07039	36.0
83.04971	44.1
83.08624	8.2
90.01993	1.9
91.05453	25.4
95.21553	1.8
97.06486	10.8
97.10161	2.1
101.31369	2.0
105.07010	10.5
107.07870	3.8
107.08585	100.0
109.06493	4.1
111.94338	2.0
125.05979	3.6
125.09612	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11618	0.8
55.05498	4.4
56.96556	64.1
57.07062	5.2
58.50516	4.9
65.03949	1.0
67.05492	13.5
67.51060	11.9
69.07020	1.4
70.01313	3.8
74.09263	0.8
76.51574	18.3
76.56007	0.9
77.01740	1.0
79.01393	2.1
79.01834	46.6
79.05462	9.8
79.51997	1.6
80.01623	1.2
80.04993	2.2
81.07035	76.9
82.01415	1.0
85.52087	2.3
88.02354	100.0
88.38686	1.0
88.52523	6.5
90.52641	1.2
92.09254	1.5
93.07049	2.2
95.04946	7.1
95.08584	17.9
97.02882	10.6
99.53143	1.8
100.02454	7.2
106.07372	1.4
108.05728	1.4
108.07655	1.8
115.14700	1.1
118.03487	8.9
119.01920	1.9
123.04411	6.3
123.05534	19.7
123.08040	14.5
123.09986	11.7
123.11683	39.6
137.02919	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
50.21465	0.7
53.03928	1.5
55.05500	6.1
55.05735	0.7
56.96557	43.9
57.07069	5.3
58.42056	0.6
58.50520	1.6
61.15439	0.7
63.65023	0.8
67.05489	24.2
67.51046	11.9
69.07049	2.9
70.01304	1.6
76.51567	11.9
78.14250	0.6
79.01833	33.4
79.05477	18.0
79.51999	1.2
80.05003	1.0
81.07037	100.0
82.07394	0.7
82.69537	0.7
85.52100	1.3
88.02358	57.7
88.52531	3.1
89.29896	0.8
90.14426	0.6
90.52612	1.0
93.07021	7.1
95.04950	8.4
95.08576	29.2
97.02886	6.0
99.53118	0.9
100.02463	1.3
105.07016	3.1
106.07349	0.8
108.05714	3.4
108.07670	1.8
118.03484	1.7
118.91098	0.8
123.04514	1.5
123.05537	6.5
123.08046	51.4
123.09969	4.5
123.11678	46.7
124.03917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.1
55.84160	0.6
56.96561	79.8
57.07056	4.1
58.50521	4.9
66.45758	0.6
66.71928	0.6
67.05491	19.1
67.51060	20.7
70.01293	3.2
71.42558	0.7
76.51570	19.6
77.05527	0.7
79.01838	50.8
79.05488	7.2
79.52003	1.5
81.07043	49.9
85.39777	0.7
85.52098	4.9
88.02361	100.0
88.52549	7.7
90.52617	3.3
92.09025	1.6
93.07011	4.2
95.04947	3.5
95.08591	20.5
97.02891	11.1
97.53033	1.2
99.53151	3.7
100.02448	3.0
105.07021	4.4
107.04958	1.2
108.05733	8.9
118.03539	1.6
121.06490	0.8
122.62852	0.8
123.04416	1.4
123.05525	6.7
123.08047	41.1
123.09985	1.2
123.10790	1.0
123.11678	24.3
143.47757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05497	6.3
56.96560	81.3
57.07063	6.3
57.07343	0.7
58.01313	0.8
58.50533	4.5
59.75997	0.9
67.05494	17.8
67.44823	0.8
67.51050	19.5
69.07059	1.8
70.01302	1.3
76.51566	20.1
77.01745	0.8
79.01837	52.4
79.05470	13.9
79.51992	1.9
80.04968	1.5
81.03394	1.2
81.07040	97.3
85.52098	2.0
88.02357	100.0
88.52518	6.3
90.52609	1.0
93.07018	3.6
95.04937	2.1
95.08585	26.6
97.02865	16.3
97.83504	0.9
99.53144	1.7
100.02458	4.9
105.07011	4.7
107.04977	1.2
108.05708	6.7
118.03513	4.6
119.63122	1.0
121.10139	1.1
123.05535	6.7
123.08044	31.8
123.11679	58.1
124.55861	1.1
137.25449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03940	0.8
55.05499	4.9
56.96556	24.6
57.07062	4.6
67.05491	14.6
67.51054	6.8
69.07039	3.0
70.88704	0.6
76.51565	6.3
79.01833	16.0
79.05468	10.4
81.07037	100.0
84.81467	0.6
88.02357	28.8
88.52524	2.7
93.07017	1.1
95.04944	0.7
95.08585	13.0
97.02868	3.2
100.02445	0.8
105.52131	0.6
108.05699	4.4
109.95808	0.7
114.38348	0.7
121.10107	0.9
123.05511	1.5
123.08037	13.3
123.11678	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
55.05488	5.3
56.96557	13.6
57.07050	3.7
67.05485	16.0
67.51054	1.2
69.07056	1.4
73.58301	0.7
76.51540	3.0
79.01839	10.7
79.05476	10.6
80.05009	1.0
81.07034	100.0
88.02353	23.0
88.52525	0.8
92.39921	0.8
95.04948	1.4
95.08566	8.6
97.02850	1.0
100.02443	1.7
102.76271	0.9
114.93261	0.9
118.03467	1.1
123.04580	0.9
123.05492	6.3
123.08026	5.5
123.09941	1.6
123.11668	27.5
137.02966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
50.42831	0.7
55.05497	3.9
56.96289	1.6
56.96562	41.9
57.07073	8.3
58.50529	1.5
60.00442	0.8
60.62094	0.8
67.05503	17.1
67.51054	9.5
69.07050	1.9
70.01303	1.1
76.51576	12.2
79.01836	25.9
79.05478	10.7
81.07041	100.0
85.52090	2.1
87.63911	0.8
88.02357	47.9
92.08671	3.5
93.07011	2.0
95.08595	25.5
97.02866	5.0
100.02499	1.0
105.07011	1.2
108.05727	1.5
118.03442	1.2
121.10150	1.0
122.24284	0.9
123.05534	2.0
123.08044	15.7
123.11688	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66123	0.6
53.03922	0.7
53.88013	0.6
55.05508	5.6
56.96559	54.4
57.07071	7.3
58.50529	3.1
60.73662	0.6
67.05492	20.4
67.51051	12.5
69.03428	0.7
69.07053	3.1
70.01310	1.4
76.51570	11.8
79.01834	33.3
79.05477	14.4
79.52000	3.7
80.04996	1.3
81.07039	100.0
85.52077	2.5
87.15645	0.8
88.02357	63.1
88.52522	3.0
93.07018	5.2
95.04974	1.3
95.08584	22.7
97.02885	8.1
99.53079	0.9
100.02458	3.3
105.07005	1.6
106.07308	0.8
108.05714	3.8
118.03526	1.6
121.06448	0.8
121.10136	1.4
123.05538	4.4
123.08050	22.7
123.11680	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
54.81743	0.9
55.05498	3.8
56.96560	92.9
57.07058	4.4
58.50520	4.7
58.96137	1.4
66.29595	0.8
67.05496	16.7
67.51053	20.5
70.01323	3.5
71.79887	0.8
74.97564	1.1
76.51569	23.4
79.01839	49.2
79.05473	12.0
79.52000	1.9
80.04979	1.5
81.07043	100.0
85.52095	1.4
88.02362	89.2
88.52583	7.2
90.52633	1.0
91.05499	0.9
93.07015	4.1
95.04955	4.2
95.08595	22.9
97.02881	14.5
99.53134	4.1
100.02456	3.3
105.07014	1.5
108.05729	5.2
114.36937	0.8
118.03567	1.0
121.10105	0.9
123.04555	1.0
123.05540	6.1
123.08036	20.7
123.10029	1.0
123.11690	46.0
125.29203	1.1
134.50021	1.0
140.76735	1.0
144.81441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03938	1.9
53.74411	0.6
54.80184	0.8
55.05513	6.0
56.96564	38.7
57.07060	5.3
63.54609	0.8
63.65699	0.8
67.05498	24.8
67.51064	8.3
69.07044	1.6
70.01296	1.1
76.51561	10.8
79.01841	18.6
79.05486	12.0
80.05000	1.4
81.07044	100.0
85.83212	0.7
88.02364	39.4
88.52528	3.9
93.07037	1.5
95.04948	1.7
95.08595	29.7
97.02868	3.7
105.07031	2.0
108.05775	1.1
108.07654	1.5
121.10107	1.0
123.05541	8.7
123.08051	16.7
123.09995	4.1
123.11684	45.7
144.70251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.02290	0.7
53.52255	0.8
55.05492	5.1
56.96559	15.9
57.07063	7.6
64.97484	0.8
66.62032	0.8
67.05489	13.5
67.51019	1.5
69.07050	1.4
72.55408	0.9
76.51559	5.6
79.01841	8.2
79.05477	14.5
80.05000	1.6
81.07037	100.0
84.68031	0.9
88.02351	17.2
88.52544	1.7
93.07054	1.2
95.04940	4.2
95.08587	16.6
97.02869	3.7
100.02469	1.8
108.05774	1.1
117.83471	0.9
118.03515	4.0
119.01895	5.1
121.10146	1.2
123.04420	4.1
123.05529	18.0
123.08038	9.0
123.11687	49.8
124.03925	1.4
137.02931	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03921	0.8
55.01160	0.4
55.05506	9.9
56.96559	32.4
57.07063	6.6
57.70258	0.4
58.50518	0.6
61.98787	0.4
65.03923	0.9
67.02179	0.4
67.05495	35.3
67.42144	0.4
67.51048	6.7
68.05855	0.4
69.07054	2.7
70.01289	0.7
76.51566	6.6
79.01839	20.8
79.05473	11.2
79.51991	0.5
80.04987	0.9
81.07039	100.0
85.52074	0.8
88.02360	39.5
88.52521	3.2
89.90260	0.5
91.05461	1.1
92.08645	0.7
93.07014	5.8
95.04939	2.8
95.08585	47.0
97.02868	4.9
99.53165	0.9
100.02454	2.4
105.06979	0.8
106.07337	1.1
108.05715	2.5
108.07662	2.0
118.03510	1.0
121.10120	2.3
123.04360	0.7
123.05537	6.0
123.08038	11.1
123.10027	6.7
123.11681	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.01230	0.3
53.03938	0.8
55.05505	5.2
56.43908	0.3
56.96562	69.1
57.07079	1.8
58.50533	3.1
58.96149	0.4
61.00796	0.4
61.30623	0.4
67.05494	17.2
67.05848	0.8
67.51051	15.8
69.03408	0.7
69.07056	0.7
70.01313	2.8
70.03252	0.3
70.47478	0.3
76.51570	18.7
79.01839	57.1
79.05482	6.7
79.52027	3.4
80.05006	0.7
81.03396	0.4
81.07040	31.2
82.01421	0.5
85.52092	3.2
88.02361	100.0
88.52563	5.4
90.52627	1.7
91.05456	1.0
93.07017	3.7
95.04951	4.1
95.08589	25.2
97.02872	15.1
99.53149	4.7
100.02480	2.6
105.07017	4.0
107.04951	0.7
108.05714	7.3
108.07654	0.4
118.03522	2.3
121.06495	0.7
123.04500	0.5
123.05534	5.0
123.08049	39.0
123.09975	0.9
123.11692	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88678	0.4
51.72046	0.5
53.03925	1.1
53.24921	0.5
55.01863	0.8
55.05511	4.5
56.96562	93.2
57.07071	4.9
58.50264	0.4
58.50533	3.8
58.96143	0.5
60.04842	0.4
63.93185	0.5
67.05495	17.3
67.51055	23.1
69.03384	0.7
70.01325	3.9
74.97596	0.6
76.51574	24.4
79.01840	72.2
79.05476	9.5
79.52038	4.3
80.04990	1.1
81.07043	76.6
82.42558	0.6
85.52094	3.8
88.02362	100.0
88.43330	0.5
88.52571	6.3
89.02149	0.9
90.52628	3.6
93.07024	2.7
95.03130	0.8
95.04962	2.9
95.08591	20.5
97.02877	10.7
97.53059	1.1
99.53127	4.4
100.02483	1.3
105.07007	2.3
108.05721	1.1
118.03487	1.3
119.01846	0.8
123.04506	1.1
123.05545	11.6
123.08051	19.7
123.09989	2.7
123.11691	39.3
139.38297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03928	1.2
53.92198	0.9
55.01869	1.1
55.05507	25.7
56.96561	33.7
57.07059	6.4
58.50540	1.0
65.03941	1.2
67.05496	74.0
67.13982	0.8
67.51060	8.7
69.07050	1.9
70.01298	1.3
71.21764	0.9
76.51569	6.6
79.01841	20.6
79.05473	10.0
79.52029	1.4
81.07041	81.6
88.02361	35.6
88.02778	0.9
88.52530	1.6
90.61848	0.9
91.05475	1.8
91.21027	0.9
92.09325	2.0
92.64743	0.9
93.07027	16.5
95.04935	4.3
95.08587	100.0
95.35455	1.0
97.02885	5.6
100.02472	1.6
105.07018	2.1
108.05709	4.8
108.07652	1.8
118.03504	1.2
122.55001	0.8
123.04539	1.3
123.05491	6.7
123.08049	27.6
123.10040	6.8
123.11684	42.8
133.90373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
53.03942	2.8
53.42871	0.6
54.81695	0.6
55.05500	2.9
56.96561	52.8
57.07059	0.8
58.50531	3.0
67.05492	13.1
67.51054	13.1
70.01296	1.4
73.98800	0.7
76.51572	13.6
77.03918	4.8
79.01839	46.4
79.05479	5.1
79.52021	3.2
80.04991	4.0
81.07039	36.4
85.52094	3.4
88.02364	71.7
88.52535	3.4
90.52606	1.2
93.07037	1.3
95.04951	13.1
95.08596	9.4
96.04501	0.9
96.30749	0.7
97.02861	6.9
98.86862	0.7
100.02461	5.3
105.03371	8.5
105.04480	1.0
105.07013	1.4
106.07391	1.5
107.07343	0.8
108.05729	3.5
108.07658	3.7
118.03492	6.1
123.04416	100.0
123.05511	19.5
123.08062	13.4
123.08983	0.9
123.09148	0.8
123.09989	9.7
123.11681	13.2
138.50664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03933	0.8
55.05505	5.7
56.96558	79.8
57.07065	5.2
58.50525	4.9
67.05492	25.1
67.51051	20.3
69.07047	1.3
70.01321	1.2
76.51566	15.9
79.01833	56.5
79.05476	11.5
79.51989	2.9
80.04991	1.0
81.07039	89.3
85.52068	1.5
86.51127	0.7
88.02358	100.0
88.52560	5.4
89.89214	0.7
90.52615	2.8
93.07014	5.7
95.04935	4.8
95.08585	34.4
97.02879	14.1
99.53149	3.2
100.02459	4.6
100.86938	0.7
102.89974	0.7
105.07026	8.0
107.04940	3.4
107.18073	0.8
108.05721	21.1
110.67323	0.7
118.03520	1.4
121.06474	2.9
123.04421	1.4
123.05547	7.2
123.08047	80.0
123.11684	44.6
127.69453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10574	0.4
53.03947	0.6
55.05507	5.9
56.96559	78.7
57.07059	1.1
58.50523	4.7
58.96152	0.6
65.03938	0.5
67.05138	0.9
67.05492	21.0
67.51053	18.3
70.01313	2.8
74.97569	0.8
76.51569	20.0
79.01836	52.4
79.05479	6.8
79.52033	3.8
80.01635	0.6
80.05000	0.9
81.03388	0.5
81.07039	38.4
82.01433	0.6
85.52106	2.3
88.02358	100.0
88.52538	5.0
89.02189	0.6
90.52624	1.0
91.05459	0.9
92.09311	1.9
93.07028	5.3
95.04951	4.2
95.08586	27.2
95.09200	1.1
97.02869	12.1
99.53117	3.8
100.02484	2.4
105.07003	4.1
107.04926	1.2
108.05716	5.1
109.06491	0.7
114.44831	0.5
118.03486	0.9
121.06461	0.8
123.04724	0.5
123.05552	5.4
123.08048	45.3
123.09992	2.1
123.11687	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.05506	4.5
68.95995	1.0
77.03940	1.6
79.05481	21.3
81.07037	2.4
91.05462	33.4
93.07029	100.0
93.99128	0.9
95.04945	16.4
103.05452	6.4
105.04528	5.5
105.07018	26.8
106.07801	2.5
119.08542	2.3
120.64988	1.1
121.06490	42.2
121.10126	48.4
123.08094	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	123.0441
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02361	1.5
53.03936	3.6
55.01855	1.1
55.05502	1.6
56.96558	64.0
57.07056	1.0
58.48269	0.7
58.50529	1.4
61.78161	0.6
62.19298	0.6
62.63336	0.6
65.03915	1.1
67.05499	15.0
67.51051	13.9
70.01305	1.1
76.51569	15.7
77.03885	5.5
79.01836	50.3
79.05477	8.4
79.52016	3.2
80.05020	6.4
81.03395	1.0
81.07037	37.6
85.52113	1.2
88.02357	83.9
88.52528	5.0
89.02157	0.9
90.52621	0.9
95.04954	12.6
95.08593	11.1
97.02863	10.2
99.53161	3.6
100.02463	8.3
105.03371	7.5
105.06965	2.6
106.07340	1.6
107.07342	1.3
108.05706	3.0
108.07645	3.4
118.03482	6.3
123.04417	100.0
123.05518	20.7
123.08035	15.2
123.09002	1.1
123.09154	1.1
123.09985	11.8
123.11675	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84259	0.7
57.97713	0.8
62.67333	0.9
65.03914	1.1
71.92446	0.9
76.75348	1.1
79.05475	5.4
82.89900	0.9
88.27118	0.9
90.27285	1.1
91.05465	55.7
93.07027	5.1
95.04969	1.4
103.05463	6.0
104.06232	4.5
112.84214	0.9
115.05450	2.2
117.07004	31.7
119.06107	1.4
119.08566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.8
67.79798	0.7
79.05476	3.8
91.05466	69.1
93.07043	3.9
95.04949	1.5
103.05476	7.2
103.48119	0.8
104.06229	6.3
106.04807	1.1
109.06561	1.2
111.28957	1.0
115.05411	1.6
117.07007	31.7
119.06078	1.8
119.08566	100.0
120.08901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61854	0.6
54.81739	0.6
59.38065	0.5
60.21286	0.6
76.85491	0.7
81.05468	0.6
91.05460	4.5
93.07016	8.9
95.04936	1.2
103.05450	45.0
118.06503	0.7
120.08082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
51.02365	0.5
53.03939	8.0
55.01871	0.9
60.95854	0.4
61.46039	0.4
65.03941	0.5
77.03918	1.1
81.03417	0.5
91.05464	36.7
93.07024	41.0
95.04947	20.0
98.00887	0.4
102.82255	0.5
103.05452	48.0
105.04482	5.0
121.06489	100.0
122.06801	0.9
135.42239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.64541	0.4
53.03941	7.9
54.19236	0.4
55.01865	1.2
64.21948	0.5
65.25888	0.5
68.46313	0.5
71.69044	0.5
75.30568	0.5
77.03910	3.0
79.05473	1.0
81.13699	0.5
91.05463	37.6
93.07021	46.9
95.04945	19.5
103.05448	47.6
105.04506	4.1
121.06483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03931	6.0
53.57854	0.8
55.05498	6.8
59.44972	0.8
59.84689	0.9
60.27855	0.8
60.51240	0.9
60.71735	0.8
79.05474	33.4
81.07030	5.4
91.05460	27.6
93.07022	100.0
95.04949	10.1
103.05449	6.5
105.04491	1.9
105.07014	37.2
106.07804	4.9
112.61172	1.0
119.08545	6.4
120.20366	0.9
121.10123	58.8
123.08067	2.5
127.50912	1.0
128.62500	1.0
131.79057	0.9
133.07587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	0.4
53.03943	4.8
55.05507	5.3
67.05506	0.4
77.03881	0.6
79.05473	17.1
80.06232	0.4
81.07054	2.9
91.04888	0.6
91.05463	27.1
93.07023	100.0
94.07349	0.5
95.04945	10.1
98.73536	0.4
103.05453	2.4
105.04491	2.8
105.07014	16.6
106.07790	1.8
119.08537	2.9
121.06475	4.9
121.10123	24.5
123.08018	0.8
133.07602	0.6
134.96211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03933	1.4
55.05501	5.6
77.49857	0.6
79.05477	23.0
81.07032	1.7
91.05464	26.1
93.07026	100.0
95.04945	8.7
103.05443	4.5
105.04514	1.5
105.07014	17.8
106.07816	1.9
119.08549	3.6
121.06511	1.3
121.10127	36.3
123.08060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.05506	4.5
68.95995	1.0
77.03940	1.6
79.05481	21.3
81.07037	2.4
91.05462	33.4
93.07029	100.0
93.99128	0.9
95.04945	16.4
103.05452	6.4
105.04528	5.5
105.07018	26.8
106.07801	2.5
119.08542	2.3
120.64988	1.1
121.06490	42.2
121.10126	48.4
123.08094	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03940	4.3
55.05506	7.6
58.15499	0.8
67.05518	1.1
67.06596	0.9
79.05486	21.1
81.07046	2.2
91.05460	24.6
93.07026	100.0
95.04945	9.0
95.40621	1.0
96.33292	0.9
98.76939	0.9
103.05470	3.9
105.04517	1.8
105.07008	19.6
106.07770	1.2
119.08578	4.0
121.06430	1.1
121.10123	44.7
123.08064	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.88994	1.2
53.03926	7.9
55.05497	6.9
60.98609	1.2
69.79675	1.1
70.73643	1.2
70.97962	1.2
78.04706	1.5
79.05049	2.4
79.05472	40.6
91.05461	29.4
93.07019	74.3
93.47292	1.4
95.04939	14.4
103.05466	15.4
105.04502	3.5
105.07011	85.4
106.07795	3.0
107.96027	1.3
119.08543	13.0
121.06487	16.0
121.10116	100.0
122.09664	1.7
123.08054	15.0
133.07599	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.76595	0.7
53.03940	0.8
58.69449	0.8
62.73608	1.1
70.26595	0.8
79.05476	5.2
91.05462	61.4
93.07014	6.4
95.04914	1.6
103.05437	10.0
104.06223	7.2
115.05460	3.6
117.06995	35.1
119.08562	100.0
131.22337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
59.12679	0.5
65.03931	1.1
65.78341	0.6
71.88391	0.7
78.60957	0.6
79.05482	4.6
91.05467	71.9
93.07034	4.7
95.04935	0.9
103.05455	9.3
104.06253	5.9
109.06527	1.2
115.05452	3.6
117.07001	30.7
119.08569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03929	1.0
54.07175	0.6
62.06516	0.7
65.03919	0.8
79.05470	4.6
87.56300	0.6
88.68718	0.6
90.43636	0.6
91.05468	71.0
93.07043	4.4
95.04946	2.9
103.05460	9.0
104.06241	5.7
105.04523	0.7
115.05447	3.2
117.07007	30.2
119.08566	100.0
126.61246	0.6
128.11955	0.6
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
53.03922	0.5
56.93212	0.4
65.03937	0.7
66.76543	0.4
79.05471	4.0
87.91055	0.4
91.05464	69.7
91.46461	0.4
93.07024	3.9
95.04945	1.0
96.05201	0.5
97.97466	0.5
103.05447	6.5
104.06236	5.1
107.65768	0.5
109.06489	0.5
115.05424	2.9
117.07003	25.2
119.08562	100.0
128.19443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.06208	0.7
58.59359	0.9
65.03907	0.8
79.05463	4.1
91.05461	62.2
92.64275	0.7
93.07017	3.0
95.04946	1.4
103.05469	7.4
104.06242	5.5
115.05501	0.9
117.06998	30.7
119.06081	1.4
119.08564	100.0
137.78815	0.8
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
50.52076	0.5
51.10336	0.4
53.03919	0.8
54.82169	0.4
62.71351	0.5
63.93353	0.5
65.03922	2.2
79.05478	3.3
91.05461	70.2
93.07037	4.6
95.04939	2.7
96.05269	0.8
96.11427	0.6
103.05453	8.5
104.06212	6.5
104.11799	0.6
109.06522	1.0
115.05429	3.9
117.06999	30.4
119.06807	3.0
119.08556	100.0
121.06467	0.7
132.38100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	0.9
55.42637	0.5
65.03925	1.2
79.05472	4.6
79.53870	0.6
91.05472	82.5
93.07060	4.8
95.04951	3.2
103.05444	10.2
104.06230	9.2
106.72584	0.9
109.06534	1.2
115.05454	4.9
117.07008	43.3
119.06070	1.4
119.08575	100.0
121.06432	0.9
123.25021	0.7
131.06082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
54.36300	0.6
54.81691	0.7
55.84675	0.5
65.03951	0.8
79.05478	3.5
91.05463	70.5
93.07028	4.4
95.04939	1.5
99.86892	0.7
103.05444	6.4
104.06255	5.9
105.04531	0.7
109.87181	0.7
115.05424	2.7
117.06998	28.5
119.08558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57544	0.5
52.24037	0.5
53.03930	0.7
56.76421	0.5
64.36874	0.6
65.03928	1.2
71.20997	0.6
79.05474	5.8
91.05461	68.1
93.06998	3.0
95.04943	2.4
103.05440	8.2
104.06226	6.5
109.06506	1.0
115.05418	3.3
117.06995	30.5
119.06047	1.4
119.08559	100.0
120.08897	0.9
120.34166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
61.30157	0.8
62.51911	0.8
63.55323	0.7
63.90190	0.8
65.03889	0.9
79.05482	5.7
83.03521	0.7
91.05466	71.3
93.06427	1.0
93.07024	4.3
95.04997	1.0
103.05449	6.8
104.06252	6.4
115.05439	1.9
117.06223	1.8
117.07005	32.6
119.08560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91540	0.3
51.96136	0.4
53.03924	0.6
59.57748	0.4
59.95939	0.3
65.03922	2.2
73.85694	0.4
77.74254	0.4
79.05470	3.9
91.05462	74.3
92.64110	0.5
93.07034	6.0
95.04968	2.2
103.05450	11.5
103.79053	0.4
104.06240	8.1
105.04495	0.5
109.06494	1.8
115.05431	4.5
117.06998	42.9
119.08562	100.0
120.08890	1.6
121.06502	0.7
131.06027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
65.03926	0.6
78.04683	0.6
79.05479	6.0
89.52321	0.5
89.70699	0.5
91.05468	74.8
93.07050	4.7
95.04974	2.2
103.05457	8.0
104.06255	7.2
109.06516	2.4
115.05447	3.6
117.07009	31.8
118.07324	0.7
118.47298	0.5
119.08570	100.0
121.06528	0.9
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
53.03931	0.6
57.01797	0.5
62.74781	0.4
65.03921	1.1
79.05492	4.6
83.40076	0.5
91.05461	71.8
93.07038	4.0
95.04948	1.0
97.47522	0.5
103.05448	9.0
104.06219	6.1
115.05441	3.5
117.06999	29.5
119.08556	100.0
121.06495	0.8
131.05927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
55.46227	0.6
65.03925	10.3
79.05459	0.8
85.08281	0.6
87.45358	0.6
91.05462	100.0
93.07048	1.1
95.04938	1.2
102.62498	0.6
103.05453	1.4
104.06226	1.3
115.05465	0.7
117.06997	8.8
119.04918	49.2
119.05852	1.8
119.08562	32.5
126.12315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.53209	0.7
62.57532	0.7
65.03929	9.6
74.26717	0.7
76.47371	0.7
82.31863	0.8
91.05472	100.0
93.07005	0.9
103.05437	1.1
104.06227	1.9
117.07018	10.0
119.04932	46.5
119.05901	1.8
119.06077	1.8
119.08570	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	119.0703
Annotation	5-Hydroxypentanoate
Peak:m/z	Relative Intensity
55.05504	2.1
56.96540	0.4
56.97743	0.2
57.03426	0.2
59.04987	100.0
60.04511	0.2
60.05323	0.2
61.56016	0.2
66.11102	0.2
68.95266	0.5
69.03337	0.2
73.02885	0.2
74.41253	0.2
77.83287	0.2
81.88750	0.2
83.04947	0.3
84.16797	0.2
91.05455	5.1
92.05013	0.3
101.06004	1.7
117.07013	0.3
119.01904	0.3
119.05000	0.4
119.06055	2.1
119.08534	2.4
129.96237	0.2
137.02988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.63778	0.7
79.05473	5.2
91.05464	64.2
93.07005	2.2
100.62620	0.9
103.05450	7.5
104.06240	7.4
109.06517	1.1
115.05384	1.0
117.06997	28.1
119.04933	1.8
119.06060	3.6
119.08562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.90963	0.4
52.31968	0.4
53.03957	0.6
53.74011	0.4
54.27267	0.4
62.63293	0.4
79.05466	4.3
84.41345	0.4
91.05466	76.1
92.08700	2.2
92.09317	1.4
93.07047	4.0
95.04952	1.1
103.05441	7.0
104.06242	6.0
109.06458	0.5
114.53680	0.4
115.05437	3.1
117.07001	23.9
119.08566	100.0
131.05995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	2.2
53.03940	27.9
72.08141	4.0
77.03900	8.5
84.35892	1.7
88.77227	2.0
89.07737	1.6
91.02416	1.7
91.05437	3.2
93.89215	1.8
95.04950	61.0
95.05517	2.9
99.88208	1.7
105.04497	15.4
116.05821	1.8
117.07012	4.3
118.06523	100.0
118.07297	4.0
119.08570	14.7
126.90970	1.5
129.12459	1.8
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
51.02383	2.2
53.03943	24.2
55.05497	1.2
67.42487	1.2
70.97806	1.1
72.08144	17.6
77.03920	5.0
81.03402	1.3
83.09266	1.3
91.05458	13.1
95.04331	1.7
95.04949	62.4
105.04495	15.8
117.07005	6.1
118.06524	100.0
118.55113	1.1
119.08562	16.9
137.95218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61339	0.5
59.62004	0.4
59.99926	0.6
68.29577	0.4
82.01469	0.6
83.01503	1.0
87.31647	0.5
96.53991	0.6
96.94473	0.5
100.02466	1.3
101.00868	15.4
101.02544	9.0
102.02242	0.6
107.57200	0.5
113.90579	0.6
117.22324	0.6
118.03456	0.6
119.01900	100.0
119.03572	7.7
121.02403	0.6
137.02937	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78839	0.5
57.86795	0.4
59.44010	0.5
65.03927	8.6
73.39687	0.6
79.05476	1.3
81.73716	0.6
82.66965	0.5
84.25387	0.5
85.31276	0.5
91.05463	100.0
92.04973	0.7
93.07015	1.3
95.04956	0.9
98.54152	0.6
98.68024	0.5
103.05457	3.5
104.06231	1.4
107.28241	0.6
115.05474	0.9
117.06998	11.1
119.04922	41.1
119.06025	2.6
119.08562	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.3
53.03942	26.4
53.93967	1.3
55.74319	1.2
59.48668	1.3
61.06256	1.1
68.10497	1.2
72.08129	3.3
77.03911	6.5
81.03399	2.4
83.49907	1.3
89.34766	1.3
91.05479	11.0
92.64745	1.4
95.04951	68.3
105.04524	14.8
110.56186	1.3
118.06526	100.0
119.08559	19.5
136.30270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
50.40185	0.9
50.90816	0.9
53.00287	4.6
53.03937	3.0
55.01867	19.7
55.05499	2.7
56.96549	3.1
57.03421	8.1
57.07054	1.4
59.04989	26.9
65.08502	1.2
67.05479	1.3
68.17860	1.0
69.03414	100.0
69.07056	11.2
70.06569	2.3
71.01328	7.5
71.02970	13.6
71.04945	1.1
73.02902	6.4
73.06492	1.3
80.03485	4.8
82.53754	1.4
83.01330	8.4
85.02889	32.3
87.00803	14.2
87.04447	30.9
91.36520	1.5
92.09337	1.2
97.02868	40.9
97.06488	3.0
115.00389	2.2
115.03908	61.2
115.07539	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.3
53.03939	1.5
54.71762	1.1
55.01873	19.8
55.05507	2.2
56.96563	5.2
57.03430	12.4
59.04723	1.3
59.04990	25.2
69.03416	100.0
69.07063	10.0
70.06562	3.1
71.01331	9.1
71.02972	10.4
72.02838	1.5
73.02927	1.5
73.06529	1.6
74.34683	1.0
80.03480	5.3
80.53531	2.0
83.01319	9.1
85.02894	30.3
87.00809	12.5
87.04449	36.6
87.09193	1.7
97.02870	40.2
97.06500	5.2
102.08299	1.2
106.33556	1.3
114.37180	1.3
115.03910	66.0
115.04791	2.0
115.07568	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	1157.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
80.42254	0.1
81.03359	0.6
81.03803	0.1
85.02892	1.9
91.05449	0.2
91.92587	0.1
93.91530	0.1
109.02847	0.3
111.04400	0.2
119.04900	1.5
121.02834	9.5
128.69968	0.1
135.04355	0.1
138.03075	0.2
141.01768	0.2
145.02823	1.2
147.04384	0.3
149.02319	0.2
153.01799	0.2
163.03889	1.1
165.01796	1.4
167.03430	0.3
171.02795	0.8
177.01741	0.5
177.05411	0.2
179.03334	0.3
183.02843	1.4
185.05981	0.2
187.03818	0.7
189.05470	0.7
191.03372	0.7
193.04990	0.2
195.02875	1.0
197.05890	0.3
199.03862	0.3
205.04926	0.6
211.07460	0.2
213.03598	0.2
213.05411	1.8
215.03345	0.2
217.04930	3.5
219.02765	0.2
226.46916	0.1
227.06967	0.9
229.04671	0.2
231.06596	0.2
233.04347	0.7
235.05969	0.3
239.06914	0.3
241.04932	0.8
241.52475	0.1
242.05661	0.2
243.02814	1.5
243.06454	2.0
255.06438	3.1
256.07242	3.6
259.05908	2.5
261.03882	3.0
266.05832	0.2
267.06418	1.1
268.07187	0.6
270.05112	0.9
271.05930	7.7
280.07373	0.3
281.07919	0.6
283.05948	64.3
284.06714	32.9
285.07401	2.9
289.06943	0.7
295.05948	15.7
296.06427	0.7
297.07510	15.4
298.04761	0.2
298.07870	0.2
299.05411	0.3
305.08014	0.3
307.05966	1.5
308.06696	3.0
309.07483	6.4
311.05548	3.5
311.09070	0.6
312.06134	0.2
313.06992	100.0
314.07312	1.7
316.05545	0.3
321.07544	0.8
323.05444	2.8
323.09021	18.6
324.09500	0.3
325.07004	4.8
327.08624	1.8
333.07532	0.3
335.05399	0.2
337.06979	23.7
338.07452	0.3
339.08588	0.3
341.06506	0.2
343.08011	7.2
349.07080	1.4
350.07761	0.2
351.08539	7.8
355.08167	2.2
361.06918	0.6
367.08026	16.3
368.08304	0.2
369.09634	0.7
379.08038	12.6
380.08301	0.2
397.09097	32.8
398.09503	0.7
415.10132	26.5
416.10504	0.5
433.11194	55.0
434.11591	1.3
448.28622	0.2
459.12732	0.2
579.16980	88.7
580.17108	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	2.2
81.07046	0.6
89.03889	0.7
90.71106	0.4
91.05455	19.4
93.07010	0.9
94.04156	3.3
95.04942	7.2
95.08593	0.5
103.05449	5.1
105.03354	1.6
105.07023	6.4
107.04932	9.9
109.06470	3.1
115.05433	6.1
117.03334	0.4
117.07010	4.0
118.04125	1.0
119.04916	19.2
119.08519	0.5
121.02919	0.4
121.06468	8.0
122.03611	6.2
123.04392	2.0
123.08031	2.3
128.06210	3.7
129.06964	10.5
131.04890	7.4
131.08549	2.9
132.05679	0.8
133.02805	7.0
133.06464	4.5
133.10089	0.6
134.03630	0.5
135.04395	2.0
135.07994	2.9
136.05188	1.0
137.05949	100.0
138.06223	0.8
143.04889	1.8
144.05676	0.8
145.06482	4.2
146.03589	1.6
146.07256	4.1
147.03308	0.8
147.04387	13.8
147.08017	3.3
148.05144	2.6
149.05951	10.6
149.09610	0.5
150.06700	0.4
150.27249	0.4
151.03923	3.5
151.07518	52.0
152.06148	0.8
153.06943	0.9
157.06445	8.8
158.07205	0.6
159.08005	2.4
160.05171	2.5
161.05942	90.4
161.09561	18.7
162.06694	4.0
163.07498	12.3
164.08327	0.5
165.05515	1.5
165.06964	6.0
165.09021	3.4
167.07086	1.0
167.08444	5.9
169.06422	1.6
173.05940	0.8
174.06732	6.8
175.07498	34.0
177.05460	0.8
177.06950	1.8
177.09084	6.6
178.07710	2.1
179.06976	4.0
179.08510	3.0
181.06432	5.4
181.08566	0.6
181.10039	0.7
182.07239	2.5
183.07971	0.8
185.05948	0.8
187.07478	3.2
188.08163	1.5
189.09065	49.5
190.07745	1.7
191.06920	2.1
191.08528	5.9
191.10468	0.7
193.06444	6.0
193.08281	0.7
193.10049	3.1
194.07190	3.7
195.08018	14.5
195.10120	10.8
195.11720	0.5
196.05200	0.6
196.08754	0.9
197.06000	1.5
197.09541	2.3
198.06693	0.7
199.07518	1.7
201.09053	2.9
202.07698	1.0
203.08583	0.7
205.06461	3.5
205.08305	0.7
205.10120	0.7
206.07260	1.9
207.08031	4.1
207.10104	32.0
208.08789	2.3
209.05984	3.4
209.09573	3.4
210.06735	5.1
211.07536	7.1
212.08330	3.0
213.09064	2.6
218.07219	0.9
219.07991	16.6
219.10118	47.0
220.08705	1.8
220.10640	0.5
221.05974	8.8
221.09462	4.4
222.06699	4.5
223.07481	11.1
223.10962	3.6
224.08266	4.4
225.05470	1.8
225.09055	11.1
226.06078	0.8
227.07051	4.3
227.10631	7.8
233.05835	1.9
233.09567	2.4
234.06725	1.8
235.07458	6.2
236.04636	0.9
236.08298	4.1
237.05386	1.6
237.06465	0.5
237.09039	13.8
237.11339	0.7
238.06168	3.0
238.09822	0.8
239.06970	8.1
239.10666	2.8
240.07712	5.2
241.08524	5.7
241.12326	0.8
242.09261	2.4
245.09479	0.8
246.06737	0.5
247.07439	8.7
248.08304	5.1
249.05402	2.3
249.08987	6.3
250.06239	2.4
250.09669	1.7
251.06941	7.9
251.10605	9.7
252.07701	3.7
253.08511	28.4
253.12157	6.3
254.09355	2.9
255.06461	9.9
255.10080	11.2
256.07242	0.8
257.11786	0.7
259.07428	0.8
259.09729	0.6
261.09097	2.4
263.07187	1.4
263.10611	2.0
264.07703	4.7
265.08527	24.9
266.09210	2.8
267.07034	0.9
267.10104	12.9
268.07199	3.1
268.10693	0.8
269.08145	5.0
269.11508	4.4
269.47064	0.5
270.08810	11.1
271.09549	1.7
272.10275	0.7
273.11316	0.8
274.78424	0.4
276.07712	0.5
277.08499	7.1
277.12112	2.2
278.09253	1.0
279.10107	15.7
280.10846	2.3
281.07962	4.3
281.11606	3.2
282.08789	2.5
283.09558	12.8
283.13126	2.8
284.10345	2.0
285.11166	14.4
287.09882	0.5
287.12741	7.4
291.09998	1.7
293.08252	0.9
293.11606	2.8
294.08694	0.8
295.09607	5.2
295.12830	0.7
296.10388	8.8
297.11154	41.9
298.11865	0.9
299.12802	4.2
301.14206	0.6
305.11646	2.1
307.09503	0.6
308.10422	1.9
309.11108	8.4
310.11813	0.6
311.12729	19.3
313.10849	0.9
313.14209	6.8
315.12195	6.3
317.14230	3.0
321.10883	0.7
323.12668	6.1
325.14069	0.8
327.12106	2.5
329.13763	46.4
330.14450	2.6
331.15350	18.4
335.12665	0.7
337.14273	9.0
341.13852	3.5
342.14581	1.9
343.15118	2.4
349.14087	3.2
353.13748	1.0
355.15323	51.1
356.15747	0.9
367.15317	22.2
385.16467	1.6
403.14853	0.6
413.13721	0.5
429.17017	0.7
447.18057	1.0
459.17688	1.9
461.19458	12.3
473.19388	1.7
479.20599	26.7
480.20724	0.5
491.20569	12.8
509.21582	33.9
521.21173	2.3
902.52246	0.5
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
51.02382	0.5
52.43813	0.2
53.03939	8.1
55.01866	15.2
55.05503	12.5
55.09802	0.3
56.96558	19.7
57.93546	0.4
58.50538	0.5
60.04518	1.9
63.92366	0.2
65.03931	0.5
65.79616	0.2
67.05489	4.0
67.30466	0.2
67.51051	4.1
69.03411	6.9
69.07049	0.6
70.01318	1.2
74.97585	0.2
76.51568	8.9
76.56271	0.3
77.03898	1.4
79.01834	10.1
79.05469	2.2
81.03392	1.1
81.07034	13.9
83.04955	1.8
83.08601	3.7
85.52088	3.5
87.00446	3.6
87.50613	2.3
88.00459	7.4
88.00981	0.4
88.02354	19.6
88.52528	1.2
91.05459	51.8
93.07019	100.0
95.04941	24.0
95.95985	0.3
96.00956	0.5
96.51122	0.6
97.00976	11.9
97.02870	3.1
97.51151	0.5
98.00715	0.3
99.51211	0.3
99.53125	0.6
103.08488	0.3
105.04494	6.2
106.01498	1.5
109.06562	0.3
111.04469	2.3
111.05589	0.6
111.08062	49.1
113.96372	1.6
114.96530	0.5
115.96413	4.7
116.97199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
51.38934	0.5
53.00279	1.0
53.03940	9.2
55.00657	0.6
55.01870	11.1
55.05506	46.5
56.96558	7.7
57.07065	1.4
60.04508	1.4
66.26623	0.6
67.05492	5.2
67.51065	1.6
69.03419	1.7
69.07054	100.0
75.24185	0.7
76.51561	7.7
77.03907	1.2
79.01833	2.9
79.05457	1.6
81.07029	8.5
83.04993	4.6
83.08591	1.0
85.52100	7.5
85.58795	0.7
86.02235	0.6
87.00444	1.5
87.50577	3.2
88.00464	21.1
88.02353	5.7
88.50362	4.0
91.05461	43.7
93.07025	43.7
94.52605	1.1
95.04949	23.8
97.00977	38.3
97.02871	1.3
98.00733	5.2
99.51244	1.2
105.04515	4.3
106.01503	6.9
107.01279	0.8
108.51807	1.1
111.04409	7.0
111.08070	18.7
111.11735	1.1
113.96388	2.7
115.96423	15.3
116.97218	4.9
117.95925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0964
Annotation	4-Hepten-2-one
Peak:m/z	Relative Intensity
51.70706	0.2
52.50776	0.2
53.00307	1.0
53.03934	1.5
54.81477	0.3
55.01863	0.3
55.05503	15.3
55.62494	0.2
56.36118	0.2
56.96562	0.3
57.01506	0.3
57.03422	1.9
57.07063	2.0
60.95833	0.6
65.03930	2.4
67.05488	64.1
69.03414	0.5
69.07050	40.5
70.02924	0.5
71.04974	2.9
71.94085	1.3
72.00973	0.3
72.93769	12.7
80.06249	0.4
81.03422	0.3
83.04963	1.7
83.76121	0.3
85.02882	0.7
85.06541	1.3
89.00234	0.3
90.00070	0.6
90.01978	1.4
90.94807	4.1
91.05450	1.3
93.07021	11.1
95.04946	3.4
95.08580	100.0
96.00833	0.5
96.08949	0.4
98.00706	0.4
98.50805	0.5
99.00594	1.4
108.95832	1.3
113.02295	2.1
113.03453	1.2
113.05988	3.4
113.09618	5.9
113.96385	1.2
131.97414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.64803	0.3
53.03936	2.7
55.05503	9.9
65.03933	2.7
67.05491	100.0
69.07056	5.1
78.61847	0.4
79.05476	14.5
80.06226	0.6
81.03404	2.3
81.07036	45.0
86.00679	1.5
86.50601	2.2
87.00446	4.8
91.05463	3.4
94.04171	2.8
94.07796	0.6
95.01141	0.4
95.51102	0.4
96.00984	1.3
107.04957	0.7
107.08601	4.0
109.06503	25.4
109.10139	90.8
110.10475	0.4
112.96745	0.4
113.96404	0.7
129.97916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03939	4.5
55.05504	8.6
55.59737	0.4
56.95619	0.4
64.33719	0.5
65.03934	1.7
67.05493	100.0
69.07056	6.0
79.05473	10.3
81.03407	7.4
81.07037	36.0
86.00694	2.7
86.50580	0.7
87.00450	8.3
91.05466	2.0
94.04169	1.1
94.07798	1.0
95.01201	0.9
96.00968	3.3
107.04956	0.6
107.08577	3.7
109.05812	0.9
109.06506	15.9
109.10143	98.6
111.96873	0.6
113.96362	4.6
129.97847	0.6
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
53.03941	3.7
55.05505	6.0
57.18114	0.3
58.61562	0.4
60.73304	0.3
65.03932	1.9
67.05492	70.0
69.07043	3.3
72.93775	0.6
73.86885	0.3
76.51559	0.5
79.05473	11.9
81.03395	6.2
81.07039	33.5
86.00685	8.7
86.50621	2.7
87.00446	22.4
91.05453	2.2
94.04175	2.3
95.01217	1.6
95.04945	0.5
95.50990	0.4
96.00949	6.9
99.69157	0.4
107.04950	0.8
107.08593	3.3
108.43667	0.4
109.06503	20.7
109.10139	100.0
110.10450	0.5
111.04404	0.3
111.96847	2.4
112.96700	1.7
113.79193	0.3
113.96384	9.2
129.97900	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00306	0.6
53.03944	0.8
55.05233	0.5
55.05505	15.3
65.03921	2.8
67.05494	100.0
69.07056	9.1
73.24110	0.3
79.05476	8.6
80.06268	0.7
81.03394	0.8
81.07042	34.6
86.00677	0.7
87.00441	3.7
91.05443	1.4
94.04161	0.7
94.07795	1.4
96.00983	0.5
105.06996	0.6
107.08577	4.9
109.06501	8.4
109.10143	86.2
110.10471	0.4
113.96386	0.8
114.36986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	1.9
54.82043	0.3
55.05504	7.3
64.33583	0.3
65.03925	2.6
67.05492	81.8
68.05823	0.3
69.07053	4.4
71.27135	0.3
76.56695	0.3
79.05477	7.0
81.03394	2.8
81.07039	30.8
86.00667	1.8
87.00454	3.6
91.05461	3.7
94.04171	3.9
94.07796	0.6
96.00950	0.5
97.99875	0.3
107.04942	1.9
107.08582	3.5
109.06500	21.9
109.10143	100.0
111.04367	0.4
113.96377	2.0
114.37774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.31556	0.3
52.13263	0.3
53.00281	0.3
53.03932	1.4
55.05503	8.9
63.87877	0.3
65.03915	3.2
67.05488	100.0
68.05820	0.4
69.07045	4.9
79.05473	9.3
80.06255	1.3
81.03406	0.9
81.07035	38.4
86.00682	1.6
86.50602	0.9
87.00456	4.3
91.05463	3.5
91.71426	0.4
94.04166	2.4
94.07802	0.7
95.01172	0.4
106.41602	0.4
107.04987	1.2
107.08563	5.4
109.06494	32.2
109.10135	90.4
111.04401	0.4
111.96838	0.5
112.96682	0.5
113.96388	1.9
115.00697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05511	9.3
64.71790	0.5
65.03944	3.0
65.59865	0.4
67.05501	100.0
69.07064	5.2
76.41835	0.4
79.05479	9.8
80.06264	0.7
81.03429	0.6
81.07047	38.2
86.00674	0.5
86.50608	0.9
87.00443	3.4
91.05457	2.3
92.08708	0.5
94.04195	2.0
94.07803	1.1
95.51101	0.6
96.00981	0.9
107.04992	1.5
107.08604	3.8
109.06516	19.7
109.10152	87.7
113.96385	1.8
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
53.03940	2.0
55.01867	0.4
55.05506	7.3
58.27748	0.3
58.60636	0.3
65.03931	5.5
67.05492	66.6
69.07055	3.7
72.97450	0.3
74.99757	0.4
79.05475	11.6
80.06242	0.6
81.03397	4.8
81.07037	43.3
85.53708	0.3
86.00683	1.6
86.50593	1.4
87.00453	6.0
91.05460	13.6
91.06007	0.6
94.04164	15.4
94.07799	0.6
96.00958	2.0
98.51195	0.4
102.12577	0.3
107.04935	10.2
107.08577	3.1
109.06501	100.0
109.10139	64.6
110.06821	0.7
111.04428	1.3
113.96403	2.0
119.06031	1.2
121.03967	0.4
126.14893	0.3
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	4-Cresol
Peak:m/z	Relative Intensity
51.76306	0.2
53.00310	0.2
53.03938	5.5
53.86277	0.2
55.01870	1.1
55.05499	1.5
56.96563	1.3
57.27621	0.2
57.29393	0.2
65.03925	4.7
66.04715	0.5
67.05494	20.5
69.03414	0.3
69.07052	0.5
76.51576	0.3
79.05475	27.8
81.03403	11.5
81.07040	53.7
86.00677	1.9
86.50600	0.9
87.00455	2.1
88.02354	0.3
91.05463	14.4
92.08700	0.4
94.04164	17.8
95.04935	1.4
96.00974	0.5
97.00959	0.9
97.02863	0.2
98.00774	0.8
105.04511	0.3
107.04942	9.2
107.08575	1.2
109.02853	2.7
109.06503	100.0
109.10140	26.2
111.04424	2.7
111.96852	0.3
113.96393	0.5
117.03828	0.2
119.06043	1.4
121.03959	0.5
129.97910	0.5
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	4-Cresol
Peak:m/z	Relative Intensity
52.88545	0.2
52.91273	0.3
53.03941	0.4
55.01852	0.4
55.05502	1.5
65.03925	3.6
67.05145	0.4
67.05495	10.9
79.05476	7.5
81.07040	23.3
91.05463	15.1
94.04166	19.5
107.04942	10.7
107.05544	0.2
107.08551	0.3
109.06504	100.0
109.10137	8.9
110.06821	0.3
111.04438	2.6
119.06019	2.8
121.04005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03935	1.0
55.01857	0.3
55.05508	1.6
58.00076	0.2
65.03930	3.5
66.04715	0.4
67.05495	16.9
69.07048	0.8
77.01743	0.2
79.05476	8.1
81.03398	2.1
81.07040	26.7
86.00677	0.9
86.50597	0.3
87.00452	1.1
91.05463	14.7
94.04167	20.8
95.04959	0.3
107.04942	10.7
107.08572	0.7
109.06505	100.0
109.10143	14.4
110.06866	0.3
111.04430	2.6
111.96890	0.3
113.96423	0.2
119.06034	2.1
121.03955	1.0
129.97879	0.3
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	4-Cresol
Peak:m/z	Relative Intensity
51.02379	0.3
53.03946	8.1
55.01867	0.6
55.05496	1.3
56.96554	1.7
57.08570	0.3
59.27765	0.3
60.82062	0.3
62.31651	0.3
65.03933	2.7
67.05493	8.8
71.94021	0.3
72.93787	0.5
74.99823	0.8
76.51578	0.6
77.99934	0.4
79.05476	64.0
81.03404	11.8
81.07040	90.9
85.52083	0.4
86.00688	13.8
86.50575	6.6
87.00450	17.1
88.00488	0.6
88.02365	1.3
89.00276	0.5
91.05464	12.4
94.04163	2.1
95.01193	3.8
95.04947	2.9
95.51099	0.5
96.00952	3.6
97.01003	0.8
97.51472	0.6
98.00779	0.5
98.51236	0.5
105.04530	0.5
106.01490	0.4
107.04893	1.3
109.02860	1.3
109.06505	100.0
109.10149	5.3
111.96846	3.9
112.96679	1.8
113.96389	5.9
115.96439	0.6
117.95976	0.3
129.97862	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	1.9
55.05507	11.2
65.03930	3.2
67.05497	100.0
69.07055	8.8
71.71017	0.4
79.05482	11.2
79.68537	0.4
80.06274	0.7
81.03391	1.0
81.07044	43.2
86.00701	1.0
86.50605	2.2
87.00459	7.1
91.05463	2.6
94.04179	3.4
94.07828	1.8
95.64085	0.4
96.00964	3.0
103.05972	0.6
107.04940	1.0
107.08571	4.9
109.06513	24.1
109.10149	90.3
111.96835	0.7
112.96706	1.1
113.26156	0.5
113.96382	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54834	0.3
53.00297	0.4
53.03936	1.8
55.05508	12.3
65.03927	3.0
65.63022	0.3
67.05494	100.0
69.07056	7.5
72.59674	0.3
79.05476	11.2
80.06269	1.6
81.03402	0.7
81.07040	39.2
83.32507	0.3
87.00453	1.6
91.05466	3.0
92.09281	0.6
94.04163	3.5
94.07813	1.9
96.00962	0.6
107.04943	2.1
107.08566	4.7
109.06506	22.1
109.10145	81.1
113.96399	0.5
117.09689	0.3
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	o-Cresol
Peak:m/z	Relative Intensity
51.60318	0.2
53.03943	2.2
55.01873	0.4
55.05264	0.2
55.05506	3.7
62.16695	0.2
65.03663	0.2
65.03930	2.3
67.05493	38.3
69.03395	0.3
69.07045	1.9
70.45819	0.2
74.99779	0.2
76.09529	0.2
79.05475	17.5
80.06228	0.3
81.03405	3.1
81.07040	31.7
81.11223	0.2
84.00349	0.3
84.46571	0.2
86.00684	2.2
86.50594	3.2
87.00449	3.8
91.05470	5.2
94.04156	3.7
94.07793	0.3
95.01198	0.3
95.04963	0.4
95.51122	0.4
96.00968	0.3
97.51443	0.2
98.51251	0.3
103.47202	0.2
107.04947	2.2
107.08569	1.7
109.06503	100.0
109.10141	33.5
111.04426	0.5
111.96846	1.3
112.96700	1.1
113.96362	1.1
119.01105	0.3
119.05946	0.2
129.97879	0.5
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	Ethylbenzene
Peak:m/z	Relative Intensity
53.03934	2.1
55.01865	0.5
56.96559	0.5
65.03929	9.6
67.05496	4.3
77.03893	0.7
79.05476	60.2
81.48965	0.4
87.62505	0.4
91.05463	100.0
92.06255	3.1
93.02103	0.5
95.04955	7.6
103.05431	0.4
105.04502	1.9
105.07017	40.2
106.04162	0.8
107.04202	0.7
107.04939	24.6
107.08578	91.0
109.06502	27.4
119.06050	12.8
119.06906	0.5
124.05150	0.5
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	Ethylbenzene
Peak:m/z	Relative Intensity
51.02354	0.3
53.03939	0.6
55.01881	0.4
55.05509	0.4
55.67696	0.2
57.49237	0.2
65.03928	8.8
67.05489	5.2
77.03914	0.4
79.05476	50.9
85.54524	0.2
91.05463	100.0
92.05771	0.5
92.06250	3.8
92.08751	0.3
95.04952	3.3
105.04502	0.5
105.07016	37.8
106.04150	1.0
107.04960	2.7
107.08577	96.9
107.79751	0.2
108.08929	0.4
109.06503	26.0
119.06049	11.3
124.05240	0.4
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
50.83069	0.4
53.03930	1.1
55.05513	0.5
56.96564	4.6
61.81519	0.4
65.03925	8.9
67.05492	4.6
67.65207	0.4
72.93783	0.6
75.01032	0.5
79.05476	46.7
82.59025	0.5
84.01556	5.6
87.00446	2.2
90.94843	0.5
91.05462	100.0
92.06239	3.2
93.02064	6.6
95.04942	4.4
96.56116	0.5
97.29741	0.5
105.04501	0.9
105.07017	45.3
107.04941	24.7
107.08579	92.5
108.08893	0.5
109.06506	29.6
113.96381	1.0
119.06041	11.6
124.05209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03936	0.3
55.01860	0.2
60.40228	0.2
65.03928	7.2
66.49055	0.2
67.05495	2.1
72.50724	0.2
75.83148	0.2
76.34428	0.2
79.05473	15.1
80.77233	0.2
86.98597	0.2
88.40201	0.2
91.05460	91.3
92.05750	0.3
92.06243	2.1
95.04932	1.3
98.49632	0.2
103.05466	0.2
105.07011	39.4
106.04146	0.7
107.04941	2.1
107.08575	100.0
108.08881	0.4
109.06499	29.6
110.06853	0.2
119.06039	13.3
124.05182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03943	0.5
55.01849	0.4
63.02391	0.3
64.33959	0.2
64.82892	0.2
65.03926	8.7
67.05492	3.8
72.89063	0.2
77.03883	0.4
78.04681	0.3
79.05472	43.4
81.75964	0.3
88.74181	0.2
91.05459	100.0
92.05762	0.4
92.06245	2.7
92.08703	0.5
92.65147	0.3
95.04940	2.7
105.07011	40.4
106.04156	1.1
107.04936	2.5
107.08573	96.2
108.08875	0.5
109.06499	30.8
119.06039	11.3
121.42901	0.3
124.05209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
52.74674	0.2
53.03938	2.3
55.01866	1.3
56.96530	0.2
65.03928	9.4
67.05495	3.5
68.99744	0.3
72.73441	0.2
77.03919	0.4
79.05476	46.6
81.03436	0.3
84.01554	0.2
89.09985	0.2
89.62112	0.2
91.05462	100.0
92.05755	0.4
92.06244	3.4
92.63958	0.2
93.02105	0.4
95.04943	10.8
97.04413	0.2
101.76376	0.2
103.05392	0.4
105.04514	2.2
105.07014	41.4
106.04101	0.4
107.04941	34.5
107.08578	99.1
108.08912	0.5
109.06503	30.2
119.06042	13.5
124.05190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.01852	0.3
56.96545	0.3
58.80299	0.2
65.03927	8.5
67.05492	2.7
72.93682	0.2
75.18102	0.2
79.05474	22.3
82.43359	0.2
84.01553	0.3
91.05460	92.7
92.05759	0.4
92.06252	2.2
95.04948	1.8
105.07014	39.5
106.04134	0.4
107.04943	3.7
107.08575	100.0
108.08922	0.4
109.06499	30.1
119.06041	13.3
124.05204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02378	0.2
53.03937	1.2
55.01857	0.3
55.05502	0.4
61.53346	0.2
63.02354	0.3
65.03594	0.5
65.03930	9.6
67.05493	5.4
72.53135	0.2
77.03915	0.6
79.05476	56.0
84.01534	0.3
85.43549	0.3
91.05464	100.0
92.05780	0.4
92.06251	3.4
95.04961	3.2
103.05448	0.3
105.04501	0.5
105.07014	37.8
106.04190	0.4
107.04925	2.5
107.08579	87.7
109.06503	26.6
119.06040	10.2
124.05186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
77.95740	0.1
79.05464	0.6
81.07018	0.2
85.02889	1.1
91.05451	2.5
93.06990	0.3
94.04121	0.6
95.04950	0.9
96.25932	0.2
103.05450	6.5
105.07013	0.4
107.04939	0.9
108.61105	0.2
109.06499	0.4
113.86320	0.1
114.37394	0.2
115.05447	1.1
116.06172	0.2
117.07004	2.2
119.04910	2.0
119.08458	0.2
121.06469	1.1
122.03618	1.4
123.08040	0.6
128.06178	0.9
129.06976	1.6
131.04900	15.7
131.08575	0.2
133.06439	0.9
134.07263	0.2
135.08018	1.4
136.05133	0.3
137.05952	23.6
138.06267	0.2
143.08543	0.6
145.06441	1.0
146.21338	0.2
147.04390	0.3
147.08028	0.3
148.05287	0.2
149.05965	1.4
149.09581	0.3
151.03941	0.3
151.07518	16.6
157.06474	1.5
161.04692	0.2
161.05917	3.0
161.09595	0.2
162.06717	1.3
163.07506	35.0
165.06967	0.3
165.09085	0.9
167.08540	1.2
171.08018	0.8
174.06725	0.8
175.07494	4.2
177.09067	100.0
178.07829	0.2
178.09407	0.9
181.06389	0.2
189.09062	4.9
193.06564	0.2
193.10086	0.8
195.08029	2.2
195.10139	2.8
203.08612	0.2
203.10645	1.0
207.08165	0.2
207.10159	0.7
209.09610	0.2
210.06635	0.3
211.07562	0.2
212.08104	0.3
219.10092	0.2
221.05896	1.0
221.09644	1.4
221.11671	18.8
222.06589	0.2
222.11925	0.2
223.07446	1.4
224.08167	0.3
225.09097	0.8
227.10622	5.6
235.07524	0.3
237.08957	0.7
238.06151	0.3
240.07700	0.6
241.08446	0.2
249.09076	0.4
251.06554	0.2
253.08450	1.6
253.12186	2.2
255.10072	4.4
265.08536	0.9
267.10098	1.1
269.08023	0.3
269.11511	0.2
270.08710	0.2
271.12857	0.2
272.10452	0.3
281.11563	0.8
284.10309	0.3
285.11145	3.0
287.12708	8.5
297.11105	0.4
298.11771	0.2
299.12726	0.9
311.12701	1.9
313.14252	4.0
331.15323	23.6
332.15665	0.4
341.13763	0.2
343.15234	2.4
345.16919	2.7
481.51093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05478	0.5
81.03369	0.2
81.07036	0.3
85.02894	2.8
85.37548	0.2
87.04459	0.2
91.05457	7.1
93.06978	0.2
94.04150	0.8
95.04951	2.2
97.02863	0.9
99.04439	0.2
103.05428	1.1
103.24895	0.2
105.07000	1.5
107.04934	2.2
108.02061	0.2
109.06506	1.2
111.04443	0.4
115.05424	0.4
117.06976	0.4
119.04923	7.1
121.06488	2.1
122.03622	1.7
123.04385	0.2
123.08002	0.3
127.03880	0.3
128.06216	1.0
129.06973	4.7
131.04883	2.3
131.08514	0.3
133.06450	1.1
135.08028	2.5
136.05173	1.1
136.18170	0.2
137.05956	35.3
143.04878	0.8
145.04924	0.3
145.06477	1.3
146.03606	0.3
147.04375	0.4
147.08037	0.7
149.05959	6.0
150.06696	0.3
151.03889	1.3
151.07523	49.8
152.06119	0.2
152.07910	0.3
157.06464	5.3
160.05148	0.2
161.05949	5.7
161.09605	1.2
163.03783	0.3
163.07518	11.6
165.06985	1.7
165.09073	2.3
166.07791	0.4
167.07086	0.4
167.08513	4.5
169.06493	0.3
171.08037	0.3
174.06726	3.2
175.07504	4.6
177.05510	0.3
177.09093	2.4
178.07748	0.8
179.08514	1.1
180.08716	0.3
181.10136	0.4
182.07196	0.3
189.09071	18.5
193.06499	2.0
193.08434	0.4
193.10075	3.0
194.07268	0.3
195.08018	10.9
196.08693	0.3
197.05936	0.8
197.09599	0.4
199.07634	0.2
199.11089	0.4
201.09052	0.3
203.08487	0.4
206.07281	0.4
207.08138	0.5
207.10106	2.9
209.09570	2.0
210.06755	1.6
211.07578	0.8
212.08202	1.4
213.08965	0.2
219.08177	0.6
219.10112	2.8
221.06029	4.2
221.09561	4.0
221.11584	0.4
223.07506	5.1
224.08244	1.3
225.09114	3.9
227.10616	17.9
231.07979	0.4
235.07437	0.4
237.05399	0.3
237.09047	1.6
238.06209	1.0
238.09853	0.8
239.06815	0.4
239.10675	0.7
240.07803	1.5
241.08566	0.4
241.12151	1.3
249.09099	3.0
250.09575	0.2
252.07715	0.4
253.08546	6.6
253.12178	9.1
254.09322	0.4
255.10109	19.0
256.10651	0.4
259.13306	0.3
261.09076	0.2
263.10623	0.4
265.08728	0.3
267.10098	2.9
269.08060	2.0
269.11609	1.0
270.08643	0.5
272.10382	1.8
281.11679	3.9
284.10275	0.8
285.11157	11.9
287.12720	34.3
288.13080	0.4
293.11465	0.3
297.11035	0.6
298.11929	0.9
299.12698	2.0
301.14328	1.0
303.04932	1.9
304.05298	0.8
311.12686	0.4
313.14285	17.6
314.14813	0.3
331.15338	100.0
332.15881	1.6
343.15457	1.0
540.24731	0.4
723.28314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
77.95740	0.1
79.05464	0.6
81.07018	0.2
85.02889	1.1
91.05451	2.5
93.06990	0.3
94.04121	0.6
95.04950	0.9
96.25932	0.2
103.05450	6.5
105.07013	0.4
107.04939	0.9
108.61105	0.2
109.06499	0.4
113.86320	0.1
114.37394	0.2
115.05447	1.1
116.06172	0.2
117.07004	2.2
119.04910	2.0
119.08458	0.2
121.06469	1.1
122.03618	1.4
123.08040	0.6
128.06178	0.9
129.06976	1.6
131.04900	15.7
131.08575	0.2
133.06439	0.9
134.07263	0.2
135.08018	1.4
136.05133	0.3
137.05952	23.6
138.06267	0.2
143.08543	0.6
145.06441	1.0
146.21338	0.2
147.04390	0.3
147.08028	0.3
148.05287	0.2
149.05965	1.4
149.09581	0.3
151.03941	0.3
151.07518	16.6
157.06474	1.5
161.04692	0.2
161.05917	3.0
161.09595	0.2
162.06717	1.3
163.07506	35.0
165.06967	0.3
165.09085	0.9
167.08540	1.2
171.08018	0.8
174.06725	0.8
175.07494	4.2
177.09067	100.0
178.07829	0.2
178.09407	0.9
181.06389	0.2
189.09062	4.9
193.06564	0.2
193.10086	0.8
195.08029	2.2
195.10139	2.8
203.08612	0.2
203.10645	1.0
207.08165	0.2
207.10159	0.7
209.09610	0.2
210.06635	0.3
211.07562	0.2
212.08104	0.3
219.10092	0.2
221.05896	1.0
221.09644	1.4
221.11671	18.8
222.06589	0.2
222.11925	0.2
223.07446	1.4
224.08167	0.3
225.09097	0.8
227.10622	5.6
235.07524	0.3
237.08957	0.7
238.06151	0.3
240.07700	0.6
241.08446	0.2
249.09076	0.4
251.06554	0.2
253.08450	1.6
253.12186	2.2
255.10072	4.4
265.08536	0.9
267.10098	1.1
269.08023	0.3
269.11511	0.2
270.08710	0.2
271.12857	0.2
272.10452	0.3
281.11563	0.8
284.10309	0.3
285.11145	3.0
287.12708	8.5
297.11105	0.4
298.11771	0.2
299.12726	0.9
311.12701	1.9
313.14252	4.0
331.15323	23.6
332.15665	0.4
341.13763	0.2
343.15234	2.4
345.16919	2.7
481.51093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.45157	0.1
50.96664	0.1
51.02360	0.3
51.86985	0.1
53.03936	2.6
61.61501	0.2
64.01652	0.4
65.03925	0.3
70.64383	0.1
77.03924	0.8
79.05473	20.5
82.66003	0.2
86.25191	0.2
91.05458	0.3
95.04951	7.1
96.05273	0.2
103.04759	0.4
103.05451	13.4
105.04562	2.0
105.07011	100.0
106.07351	0.7
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
51.02378	0.5
51.15422	0.1
53.03940	3.0
55.01869	0.1
59.02276	0.1
65.03929	0.2
77.03912	0.9
79.05477	22.3
80.05762	0.1
81.03399	0.2
87.62993	0.1
87.84360	0.1
92.09452	0.1
95.04320	0.2
95.04945	8.6
103.05453	14.1
104.29446	0.1
105.04551	2.3
105.07015	100.0
106.07362	0.7
122.98411	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03939	2.9
57.25586	0.1
58.95763	0.1
62.69601	0.1
65.03917	0.2
69.71167	0.1
73.48666	0.1
74.17319	0.1
77.03896	0.9
79.05475	21.4
80.60194	0.1
81.03384	0.1
91.05473	0.6
92.09274	0.2
95.04329	0.2
95.04950	7.1
103.05451	13.1
105.04599	1.6
105.07014	100.0
106.07355	0.7
109.35662	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.33397	0.1
51.02370	0.6
53.03945	2.3
54.54569	0.1
58.83160	0.1
59.62618	0.1
65.03928	0.2
77.03912	0.9
79.05482	20.2
81.03399	0.2
91.05506	0.3
94.20847	0.1
95.04330	0.2
95.04955	7.4
103.05460	14.0
105.04574	1.5
105.07024	100.0
106.07355	0.5
110.80268	0.1
114.36642	0.1
118.57217	0.1
123.06607	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02359	0.2
53.03719	0.1
53.03940	2.6
55.48447	0.1
56.47498	0.1
61.55725	0.1
65.03912	0.1
77.03897	0.5
79.05473	21.3
81.03391	0.2
83.72417	0.1
91.05479	0.2
91.77634	0.1
95.04947	6.0
103.05450	12.8
104.45947	0.1
105.04603	1.7
105.07011	100.0
106.07349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
52.80849	0.0
58.06584	1.3
58.06870	0.0
59.07365	0.4
60.08149	17.3
60.80255	0.0
86.09682	0.0
103.99177	0.0
104.10719	100.0
104.21998	0.0
105.11041	0.3
119.20917	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6622
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02904	0.5
75.04457	1.0
79.05480	52.5
81.03413	0.5
81.07042	96.5
83.04970	2.5
83.08602	8.2
85.02882	4.6
85.06532	3.0
91.03951	2.7
91.05460	30.7
93.07026	73.6
95.04974	5.4
95.08588	83.9
97.02882	3.0
97.06511	4.8
97.10159	4.6
99.08081	1.2
105.04512	0.6
105.07021	22.3
107.08585	49.8
109.06488	1.3
109.10148	43.3
110.75465	0.5
111.08083	2.3
111.11735	0.5
117.07003	11.5
119.08565	19.6
119.09402	1.0
121.06480	0.6
121.10130	45.9
123.08081	1.2
123.11680	16.9
125.09602	0.8
131.08549	28.3
133.10112	18.8
135.11676	37.1
137.09604	2.2
137.13231	7.4
139.11145	1.1
143.08614	0.7
145.10114	22.3
145.11224	0.9
147.11670	13.9
149.09610	1.1
149.13245	26.7
151.11140	2.1
151.14842	3.3
153.12766	1.2
159.11653	17.5
161.13222	14.2
163.11136	0.9
163.14793	14.9
165.12717	2.2
173.13232	19.9
175.14772	5.8
177.12712	1.3
177.16393	6.4
179.14313	3.2
186.26923	0.5
187.14752	10.5
191.14313	1.2
201.16409	3.2
205.15923	2.4
215.17961	2.4
219.17468	2.0
233.19038	0.6
233.22639	3.6
243.21028	36.0
261.22092	97.1
262.22522	0.8
263.23792	2.5
279.23236	4.2
280.19974	0.6
319.34341	0.6
335.25739	37.5
353.26816	100.0
354.27316	1.0
461.28891	0.7
497.31070	10.5
498.30984	0.7
669.30682	0.6
889.96484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01343	0.2
79.05480	4.6
81.03418	0.2
81.06600	0.3
81.07045	5.3
81.07485	0.4
83.04977	1.6
83.08598	0.4
85.02870	0.7
85.06557	0.2
91.05470	3.3
93.03387	0.9
93.07023	4.1
95.04942	1.3
95.08586	3.2
97.02859	0.8
97.06525	0.3
97.10120	0.2
97.48898	0.2
105.07018	2.2
107.04966	0.4
107.08585	2.3
109.06509	0.2
109.10120	1.5
109.22057	0.2
111.00786	0.3
111.04436	6.2
115.05451	0.4
117.07005	0.9
119.08576	1.5
121.02841	0.9
121.10115	1.6
123.04409	3.2
123.07938	0.2
123.11691	0.3
127.03893	0.4
128.12389	0.2
129.06931	0.3
131.04874	0.8
131.08553	1.2
133.10121	0.8
135.04399	1.1
135.11653	0.8
137.05994	0.4
139.03894	100.0
140.04245	0.2
141.05453	0.4
141.06960	0.4
143.08524	0.3
145.06476	0.3
145.10164	0.5
147.04424	0.3
147.11656	0.3
149.05978	1.0
149.13210	0.4
151.03889	4.2
153.05452	0.7
153.06955	0.5
153.28027	0.2
155.04823	0.3
155.08524	0.2
157.06473	0.3
159.04291	0.2
159.08072	0.2
159.11694	0.4
160.05173	0.2
161.05965	3.6
161.13092	0.2
163.03882	17.1
163.07545	0.4
165.05473	1.2
165.06973	0.8
167.08496	0.2
169.06435	0.4
173.05972	6.0
173.13315	0.4
175.07494	1.3
177.05486	2.5
179.03375	1.1
179.07123	0.3
179.08530	0.2
181.04938	2.1
181.06480	1.0
183.07993	0.4
185.05991	1.0
187.03915	0.3
187.07518	3.5
189.05420	1.6
189.09091	0.3
191.07053	0.3
193.06526	0.3
193.10127	0.3
195.08028	0.9
197.06004	1.0
199.07527	3.2
201.05455	2.1
201.07089	0.2
201.09065	1.7
205.04913	3.9
207.08067	0.5
209.05995	0.2
211.07510	2.3
212.08386	0.2
213.05476	1.2
213.09058	1.9
215.06940	0.7
217.04979	0.3
223.07547	0.9
225.09122	1.0
226.06161	0.3
227.07031	1.0
227.10625	0.3
229.04907	0.8
235.05891	0.4
237.09053	0.3
247.05986	0.8
259.20450	0.4
261.22061	0.8
265.07059	0.3
267.13776	0.4
269.15485	0.2
277.12115	0.2
279.06409	0.2
283.08340	2.0
293.08041	0.3
295.05865	1.4
297.07645	0.3
297.14746	0.3
299.16312	0.4
301.09183	4.1
303.06458	0.2
308.06775	0.7
309.07645	0.7
309.14838	0.3
311.16418	0.3
313.07037	1.0
315.15823	2.3
321.07419	0.9
322.08322	0.3
323.09152	0.2
325.14413	0.7
327.15881	2.3
335.09360	0.3
335.25781	8.4
339.15887	1.7
341.17737	0.3
359.18472	0.3
389.19540	1.1
399.25116	0.3
401.19357	0.3
413.19348	0.7
421.16257	1.7
447.17990	2.6
465.19357	1.9
511.20331	0.2
521.21564	0.8
523.07001	0.2
539.22791	1.9
557.23743	0.3
631.40021	0.2
635.39429	0.2
635.49945	0.3
649.40894	1.7
661.41144	1.8
673.40540	1.0
677.40112	1.0
679.42163	1.3
691.41730	1.2
755.41595	0.4
773.42145	1.3
781.42230	0.9
799.44061	3.9
817.45032	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	1014.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	4.0
81.07040	4.7
83.04975	1.9
83.08626	0.5
85.02903	0.4
91.05458	2.8
93.03365	1.0
93.07021	3.7
95.04939	1.7
95.08588	3.8
97.02862	1.0
105.07012	1.7
107.08598	1.5
109.10155	1.9
111.04428	6.3
113.69256	0.3
115.05427	1.0
117.07030	0.6
119.08530	1.4
121.02875	0.6
121.10114	1.1
123.04427	2.7
123.08018	0.2
125.67664	0.2
127.03870	0.5
129.06937	0.4
131.04900	0.4
131.08537	1.3
133.06529	0.2
133.10127	0.7
135.04396	1.5
135.11688	0.9
139.03888	100.0
141.05489	0.5
145.06461	0.4
145.10136	0.4
147.04437	0.5
147.11650	0.5
149.05989	1.6
151.03873	3.4
153.05516	0.4
153.06908	0.4
157.06459	0.4
159.07991	0.4
161.05952	4.3
161.13246	0.3
163.03873	16.1
165.05441	0.6
165.06847	0.5
167.08536	0.4
169.06479	0.4
171.07912	0.3
173.05968	7.1
175.07518	2.2
177.05434	3.2
179.03397	1.5
181.04898	1.7
181.06458	1.6
183.08023	0.5
185.00856	0.2
185.05894	0.6
187.03828	0.5
187.07516	4.4
189.05440	1.6
189.09094	0.3
195.07997	1.1
197.05965	1.0
198.06683	0.4
199.07521	3.7
200.04738	0.3
201.05473	2.3
201.09103	1.6
205.04961	4.9
210.06721	0.3
211.07558	2.6
213.05455	0.5
213.09093	2.0
215.07014	1.3
223.07457	1.0
225.08981	0.5
225.12900	0.3
227.07005	1.4
229.04889	1.0
235.05849	0.5
237.09091	1.0
239.10770	0.3
247.05864	0.4
251.10587	0.3
261.22098	1.1
265.06927	1.1
267.13696	0.4
269.15280	0.5
283.08310	2.3
284.19452	0.3
295.05920	2.0
297.06735	0.3
297.14792	0.3
299.16324	0.4
301.09134	4.3
308.06644	0.4
309.07471	0.4
313.07083	2.4
315.16028	2.5
321.07410	0.6
322.08185	0.4
325.14343	0.6
327.15829	2.1
335.09067	0.4
335.25793	7.2
339.15924	2.4
359.18323	0.3
389.19464	1.6
401.19327	0.4
413.19373	0.3
418.37234	0.3
421.16473	2.3
429.16641	0.4
447.17920	4.2
465.19031	3.9
521.21332	0.9
539.22400	2.2
649.40759	2.7
661.40802	1.3
673.40930	0.6
677.39624	0.4
679.41504	1.0
691.41339	0.6
773.41760	1.7
799.44397	3.7
817.45209	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	1003.7201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57742	0.6
81.07053	0.9
107.04637	0.8
120.16985	0.7
122.22121	0.8
137.87968	0.6
194.23250	0.7
215.14030	8.5
216.14841	2.6
217.12036	0.9
217.15643	8.1
231.17241	0.8
233.15077	0.9
259.16641	100.0
260.17285	6.2
261.14481	1.3
261.17572	0.8
275.16177	5.4
277.17706	32.1
289.59534	0.8
367.13034	0.8
467.28552	1.4
467.34921	25.7
513.35461	19.5
636.04974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.719
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07041	0.8
107.08552	0.7
145.10014	0.7
196.11092	0.6
215.14012	12.9
216.14778	4.2
217.12009	2.3
217.15622	7.9
231.17337	0.7
245.15024	1.1
256.16663	0.7
259.16623	100.0
260.17197	8.2
261.14398	0.9
267.48856	0.7
275.16180	5.4
277.17679	24.7
314.52820	0.6
362.83441	0.6
449.33640	2.2
467.28619	1.0
467.34888	26.2
467.41428	1.1
468.34894	2.9
495.34256	0.8
511.33249	0.9
513.35443	24.8
514.35693	1.3
520.67291	0.7
593.71918	0.7
END